NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7004 8.2676 118.2173 52.6503 37.9644 174.6814 4 D 4.2870 8.7202 122.8282 53.2127 39.6368 175.6196 5 G 3.9678 8.6101 108.5350 46.2876 0.0000 174.3469 6 Y 4.5943 8.0652 117.7026 56.8734 37.7756 175.5361 7 F 4.6389 9.0784 123.1041 57.2955 39.8981 175.8778 8 E 4.8232 7.8892 119.4611 53.3440 33.2356 173.7168 9 P 4.2565 0.0000 0.0000 63.0287 32.1662 177.6013 10 T 3.5897 8.3922 112.5272 64.7003 68.6772 176.1209 11 Q 3.9583 7.9436 121.5387 58.2146 29.1142 176.2453 12 E 4.4893 7.9727 115.4640 56.0208 29.7905 175.5620 13 L 4.8248 7.7977 119.8432 52.4103 44.5284 177.2449 14 S 4.4608 8.3613 117.2124 57.9601 65.2973 175.1014 15 D 4.4018 8.6222 122.1085 57.5722 40.3133 178.4388 16 E 3.9921 8.2417 118.0433 60.0262 29.7143 178.4946 17 T 4.0973 7.7421 114.2602 66.9457 68.7933 176.5157 18 R 4.4042 8.2954 119.9216 58.9848 30.1145 178.7268 19 D 4.7132 8.6024 117.6724 54.9659 40.7578 177.8248 *21 H 4.6976 8.1614 121.1234 56.3458 31.9618 175.2482 22 R 3.7090 8.1393 118.0913 59.1694 29.6888 178.9937 23 A 3.8222 7.9892 120.2671 55.0980 18.5041 179.6809 24 I 3.6379 7.6899 117.7932 64.7046 37.3340 178.4334 25 I 3.7123 7.8679 119.5557 64.1004 37.8052 178.0110 26 S 4.2586 7.8838 115.8040 61.3404 62.5927 176.4124 27 L 3.8786 8.0388 123.0234 58.2781 42.0334 178.8699 28 R 3.9139 8.3095 118.4456 59.7056 30.1430 178.7065 29 E 3.9727 8.2401 117.7924 59.3851 28.9126 179.3609 30 E 3.9332 8.1919 118.3109 59.5868 29.6353 179.1348 31 L 3.9573 7.8384 118.9823 58.2370 41.6180 179.5270 32 E 3.9291 8.1083 118.4019 59.1403 29.6147 178.6697 33 A 3.5403 7.9672 120.7797 54.8324 18.3754 179.6013 34 V 3.6099 8.0789 117.2504 66.2750 31.5522 177.5161 35 D 4.3172 8.0797 117.4650 57.4517 41.0180 178.1748 36 L 3.9148 8.5839 120.1776 58.1876 41.5919 179.1087 37 Y 4.3133 8.3104 116.6040 61.2518 37.9449 178.2620 38 N 4.4130 8.8209 117.6583 56.9960 38.8792 177.4557 39 Q 4.0639 8.3156 119.0433 58.9417 28.7861 179.1557 40 R 3.9708 8.4065 119.7362 58.9385 29.9005 178.8249 41 V 3.5892 8.4152 118.0459 66.3408 31.5480 177.1634 42 N 4.3920 7.8808 114.4659 56.5562 38.8885 175.9613 43 A 4.3016 7.7133 119.3133 52.4172 19.3995 177.2582 44 C 4.3177 7.0891 116.9633 59.4211 32.4436 172.7978 45 K 4.3584 8.4600 122.4632 58.0350 33.7140 177.4028 46 D 4.4524 7.8482 118.3422 53.9661 42.4870 176.8931 47 K 4.0285 8.6681 126.4832 59.5197 32.3172 179.3474 48 E 3.9434 8.2097 118.4723 59.0957 29.4906 178.5246 49 L 3.9161 8.8449 120.7872 58.2811 42.0534 178.6875 50 K 3.7784 8.0723 119.0370 59.7545 32.0046 178.3879 51 A 3.9456 7.9333 120.4095 55.1440 18.2753 179.4953 52 I 3.5808 7.5550 117.9093 64.5940 37.2581 178.5797 53 L 3.6883 8.1308 119.5452 57.6873 41.4667 179.4366 54 A 3.8831 8.0526 120.6869 55.2856 18.1532 179.0769 55 H 3.9503 8.6364 116.8953 59.5571 30.0045 177.0130 56 N 4.0451 8.1137 118.5568 56.3698 38.3191 177.3055 57 R 3.8889 7.1979 119.6561 59.4682 29.9364 178.3922 58 D 4.2912 7.7810 118.2552 57.3944 40.7870 178.6008 59 E 3.8916 7.7220 119.1490 59.3535 29.3968 179.2435 60 E 3.9328 8.0683 119.9879 58.6613 29.4785 179.2562 61 K 3.9794 7.9962 118.5736 59.5201 31.8279 178.9308 62 E 3.8987 7.6061 118.5553 59.5226 29.7255 177.8648 63 H 4.2618 8.2299 115.1066 59.0974 29.2249 176.8933 64 A 4.2054 8.5747 122.0933 55.1834 18.2303 181.5709 65 A 4.3056 7.8052 117.9865 52.3713 18.4940 179.5235 *67 L 4.2314 7.9393 122.7819 56.3109 43.8173 179.1779 68 L 3.9997 7.7156 118.8216 57.0634 41.9989 178.4940 69 E 3.8704 8.1446 119.7426 59.0673 29.4354 178.3804 70 W 4.1085 8.2035 126.4197 60.4850 30.9788 177.2411 71 I 3.6935 8.0737 119.6958 64.4716 36.5818 177.8471 72 R 3.7691 7.8421 119.3490 59.9836 29.6503 178.5849 73 R 4.0720 7.6004 115.5126 57.8956 29.9723 176.9575 74 C 4.6479 7.3749 113.0087 56.8523 30.1001 174.8301 75 D 4.5326 8.1083 121.1940 51.9387 42.2566 172.6403 76 P 4.2253 0.0000 0.0000 65.6224 31.0430 178.1604 77 A 4.0327 8.0669 120.0253 54.6709 18.3930 179.2745 78 F 3.9842 8.7579 119.3425 61.3588 39.4650 176.5517 79 D 4.4293 8.5066 118.2040 57.6340 40.9714 178.2409 80 K 3.8473 8.0071 119.6063 59.7215 31.9641 178.2693 81 E 4.0633 7.9743 118.0192 59.2853 29.6087 178.7484 82 L 4.1765 8.4299 119.2302 57.3832 41.3818 179.4132 83 K 3.9384 8.0755 119.3267 59.6855 32.2941 177.9795 84 D 4.2843 7.9478 116.7463 56.7912 41.0994 176.2802 85 Y 4.6433 7.4932 114.9102 58.7223 40.2263 176.6169 86 L 3.9184 7.9345 118.7009 55.7250 42.6588 176.8495 87 F 3.8293 8.0204 118.2704 58.7133 35.9638 173.6210 88 T 4.8402 7.2598 115.5767 62.7073 73.0869 174.0747 89 N 5.0369 8.4044 115.3006 52.7896 42.0616 175.4908 90 K 4.2194 7.9205 117.7992 55.5025 33.5361 175.0104 91 P 4.2227 0.0000 0.0000 63.2660 31.8062 176.0861 92 I 4.4139 8.2416 121.2326 59.7848 37.8678 175.8378 93 A 4.2672 8.4417 127.5156 52.2657 19.1912 175.3618 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 N 8.27 4.70 0.00 2.82 3.01 0.00 0.00 5.89 7.19 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 4 D 8.72 4.29 0.00 3.14 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 5 G 8.61 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 0.00 0.00 0.00 6 Y 8.07 4.59 0.00 3.23 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 7 F 9.08 4.64 0.00 2.93 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 8 E 7.89 4.82 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 2.30 2.30 0.00 9 P 0.00 4.26 0.00 2.14 1.95 0.00 3.62 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 2.27 2.08 0.00 10 T 8.39 3.59 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 0.17 0.00 0.00 11 Q 7.94 3.96 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 12 E 7.97 4.49 0.00 2.11 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 2.28 2.25 0.00 13 L 7.80 4.82 0.00 1.69 1.61 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.36 4.46 0.00 4.08 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 15 D 8.62 4.40 0.00 2.75 2.82 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 0.00 0.00 0.00 16 E 8.24 3.99 0.00 2.02 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 2.49 0.00 17 T 7.74 4.10 4.46 0.00 0.00 0.00 0.00 0.00 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 18 R 8.30 4.40 0.00 2.19 2.15 0.00 3.26 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 19 D 8.60 4.71 0.00 2.98 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 *21 H 8.16 4.70 0.00 3.22 3.60 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.14 3.71 0.00 1.99 1.84 0.00 3.34 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 23 A 7.99 3.82 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 I 7.69 3.64 1.90 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 1.61 0.63 0.95 0.00 0.00 25 I 7.87 3.71 1.66 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.31 0.80 0.00 0.00 26 S 7.88 4.26 0.00 4.05 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 27 L 8.04 3.88 0.00 1.84 1.93 0.95 0.89 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 28 R 8.31 3.91 0.00 1.99 2.00 0.00 3.19 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 1.67 1.82 0.00 29 E 8.24 3.97 0.00 2.17 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 2.31 2.41 0.00 30 E 8.19 3.93 0.00 2.14 2.17 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 2.52 2.53 0.00 31 L 7.84 3.96 0.00 2.07 1.77 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.11 3.93 0.00 2.18 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 0.00 2.26 2.30 0.00 33 A 7.97 3.54 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 34 V 8.08 3.61 2.30 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 1.01 0.00 0.00 1.09 0.00 0.00 35 D 8.08 4.32 0.00 2.95 2.82 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 0.00 0.00 0.00 36 L 8.58 3.91 0.00 1.50 1.53 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.31 4.31 0.00 3.23 2.91 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 38 N 8.82 4.41 0.00 3.05 2.93 0.00 0.00 7.08 7.19 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 39 Q 8.32 4.06 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 40 R 8.41 3.97 0.00 2.04 2.05 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 41 V 8.42 3.59 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 0.80 0.00 0.00 0.99 0.00 0.00 42 N 7.88 4.39 0.00 2.81 3.00 0.00 0.00 7.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.71 4.30 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 44 C 7.09 4.32 0.00 3.27 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 45 K 8.46 4.36 0.00 1.74 1.81 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.45 7.81 46 D 7.85 4.45 0.00 2.71 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 47 K 8.67 4.03 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 48 E 8.21 3.94 0.00 2.14 1.98 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 2.39 2.36 0.00 49 L 8.84 3.92 0.00 1.80 1.84 0.95 0.87 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 50 K 8.07 3.78 0.00 1.97 1.95 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 51 A 7.93 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.55 3.58 2.03 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 1.49 0.77 0.90 0.00 0.00 53 L 8.13 3.69 0.00 1.84 1.80 0.98 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.05 3.88 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 55 H 8.64 3.95 0.00 3.08 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.11 4.05 0.00 1.48 2.46 0.00 0.00 6.74 7.21 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 57 R 7.20 3.89 0.00 1.84 2.00 0.00 3.34 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 58 D 7.78 4.29 0.00 2.63 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 59 E 7.72 3.89 0.00 1.78 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 2.24 2.14 0.00 60 E 8.07 3.93 0.00 2.02 2.17 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 2.60 2.57 0.00 61 K 8.00 3.98 0.00 2.10 1.88 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.63 7.81 62 E 7.61 3.90 0.00 1.94 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 0.00 2.36 2.37 0.00 63 H 8.23 4.26 0.00 3.33 3.45 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.57 4.21 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 65 A 7.81 4.31 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 *67 L 7.94 4.23 0.00 1.98 1.77 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.72 4.00 0.00 1.71 1.62 0.67 0.81 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 69 E 8.14 3.87 0.00 2.18 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 2.35 2.40 0.00 70 W 8.20 4.11 0.00 3.29 3.34 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 71 I 8.07 3.69 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 0.57 0.00 0.00 72 R 7.84 3.77 0.00 1.98 2.03 0.00 3.21 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 73 R 7.60 4.07 0.00 1.55 1.83 0.00 3.11 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 74 C 7.37 4.65 0.00 2.72 2.45 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 75 D 8.11 4.53 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.30 2.30 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 77 A 8.07 4.03 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 78 F 8.76 3.98 0.00 3.49 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 79 D 8.51 4.43 0.00 3.07 2.87 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 80 K 8.01 3.85 0.00 2.01 2.01 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 81 E 7.97 4.06 0.00 2.37 1.98 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 2.26 2.54 0.00 82 L 8.43 4.18 0.00 2.01 1.82 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.08 3.94 0.00 1.88 2.11 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 84 D 7.95 4.28 0.00 2.76 2.37 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 85 Y 7.49 4.64 0.00 2.94 2.92 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 86 L 7.93 3.92 0.00 2.02 1.59 0.92 0.96 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 87 F 8.02 3.83 0.00 3.18 3.03 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 88 T 7.26 4.84 4.52 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 0.00 0.00 0.00 1.27 0.00 0.00 89 N 8.40 5.04 0.00 2.67 2.79 0.00 0.00 6.90 7.61 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 90 K 7.92 4.22 0.00 1.88 1.82 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.48 7.81 91 P 0.00 4.22 0.00 2.08 2.08 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 92 I 8.24 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 1.47 0.63 0.79 0.00 0.00 93 A 8.44 4.27 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 * Residues marked with a * may have inaccurate shift predictions.