NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5022 8.1749 110.9469 61.5802 70.1438 173.2142 3 K 4.5375 8.9096 121.8847 55.6109 35.1458 174.3126 4 L 5.3923 8.3260 120.7056 53.2583 47.0437 174.7101 5 A 5.1733 9.1090 122.0296 51.1012 23.5974 174.9114 6 L 5.4269 8.7177 117.6546 53.2458 46.5434 175.9834 7 F 5.6739 9.3185 123.6895 56.6011 43.2081 173.7576 8 V 4.4388 7.9182 124.4550 59.8377 34.6717 174.0545 9 R 4.8710 8.3089 124.1582 54.7025 32.0257 175.0444 10 L 4.8603 9.1974 125.2769 53.0212 45.5411 175.0595 11 E 5.1658 8.7738 122.8676 54.3884 31.8095 175.2092 12 A 4.7180 9.2417 127.9566 51.4223 19.3154 177.4603 13 K 4.1179 9.0783 121.9001 55.6027 33.5794 175.1273 14 P 4.6250 0.0000 0.0000 63.8849 31.5467 176.9409 15 G 4.0051 9.2492 111.8279 45.4063 0.0000 173.8650 16 Q 4.5888 8.1825 117.9155 55.8155 29.4504 177.4067 17 E 3.9640 8.3026 119.9690 59.5048 29.5243 178.8384 18 A 4.0056 8.0357 120.0288 55.2059 18.4827 179.2848 19 A 3.9678 7.9435 118.7410 55.2307 18.3921 179.5200 20 L 3.8106 8.1678 118.9196 58.0526 42.1145 178.9171 21 A 3.6957 7.5463 120.6885 55.2641 18.2180 179.4182 22 D 4.2991 8.5266 117.8120 57.2405 40.6500 178.6603 23 F 4.0864 8.1516 120.3206 61.4122 39.8310 176.9242 24 L 4.1577 8.4914 118.6779 57.7676 41.4819 179.3678 25 A 4.1483 8.2838 121.1147 55.1530 18.1394 179.7326 26 S 4.1254 8.2108 111.4951 60.7421 63.3609 175.7437 27 A 3.8934 7.5112 123.2359 52.8326 18.2080 178.7157 28 L 3.4604 7.4796 119.3668 57.7538 42.1478 177.2793 29 P 4.1140 0.0000 0.0000 65.4401 30.9793 178.5503 30 L 3.8307 7.5259 116.4423 57.6577 41.9528 178.9224 31 A 3.7436 7.3478 120.6501 54.9414 17.9005 179.4060 32 N 4.2063 8.0189 114.3037 56.3833 38.6552 177.2374 33 A 4.3076 7.7578 121.1739 53.7917 18.9931 177.9176 34 E 4.2144 7.7404 117.1934 55.4705 29.0579 177.4146 35 S 4.1477 8.5240 121.2932 61.3128 63.2066 176.3873 36 G 3.7354 8.0756 107.5721 47.2640 0.0000 172.8612 37 T 4.5281 7.5308 117.2588 62.9456 67.4657 174.9354 38 T 4.1574 8.5913 124.1407 65.9086 69.2325 175.1103 39 A 4.7288 7.5760 120.9184 50.0913 23.1079 174.9174 40 W 5.3680 7.9632 129.1447 56.1223 34.1786 173.8889 41 F 4.5591 8.8622 125.2695 55.4732 42.3375 173.5381 42 A 4.4455 8.2053 125.5467 50.6864 19.9537 176.1687 43 L 4.6234 9.0021 123.1710 52.7603 44.8987 175.7107 44 K 4.3214 8.2151 122.7632 54.9367 33.7406 175.5890 45 F 4.3587 8.8389 127.1155 59.4932 39.6822 175.6882 46 G 4.0012 7.1304 107.3068 44.0500 0.0000 171.7545 47 P 4.2713 0.0000 0.0000 65.2325 31.2281 177.0976 48 S 5.1046 8.0410 110.7709 57.8892 65.0053 173.3061 49 T 5.1401 7.6099 117.4870 62.4922 71.8692 173.1775 50 F 5.2448 9.6624 124.8794 57.0473 44.2230 173.2526 51 G 4.3515 8.2626 105.4011 46.9792 0.0000 172.5119 52 V 4.8875 7.9709 118.7166 60.9571 35.3078 173.6899 53 F 5.6469 8.9225 129.4546 56.5204 42.3221 173.5093 54 D 5.0505 8.1622 123.6484 51.9105 43.4989 173.7645 55 A 4.7736 8.0343 119.6645 50.2497 22.9853 175.1722 56 F 5.3203 9.0652 117.6314 55.7709 43.3708 175.8977 57 A 4.2523 8.3125 124.7625 55.0756 19.0780 177.0307 58 D 4.5843 7.7927 112.6896 51.2720 42.3650 175.6445 59 E 3.9108 8.7558 118.4947 59.0995 29.3517 178.2819 60 A 4.0687 8.0909 120.8126 54.9931 18.4944 179.6042 61 G 3.5919 8.7652 104.6268 47.9564 0.0000 175.8928 62 R 2.5100 7.6304 121.2598 58.6847 29.9305 178.7077 63 Q 3.9102 8.4062 118.0133 58.6944 28.4237 178.4688 64 A 3.9351 7.8842 121.3679 55.2159 18.6710 178.8874 65 H 4.2500 8.0996 116.8487 59.5203 29.7971 177.6434 66 L 4.0604 7.6281 119.4289 57.1210 41.4454 178.1561 67 N 4.8381 8.1745 114.6584 54.3840 39.3047 175.6501 68 G 4.2003 7.8870 109.5926 43.6184 0.0000 174.0770 69 Q 4.0766 7.6327 117.7327 58.6582 28.5801 178.7737 70 I 3.7373 7.5689 120.3310 64.2995 37.1737 177.9881 71 A 4.0381 7.9136 119.5333 55.0429 18.2754 178.9812 72 A 4.0818 7.7957 118.1223 55.3754 18.8102 179.4834 73 A 4.2306 8.1983 119.2712 54.9789 18.5650 180.4804 74 L 3.9175 8.4204 117.2946 55.5216 41.9195 178.5635 *76 A 4.2666 8.0058 121.6682 51.0689 20.4287 178.5080 77 N 4.7433 7.5663 110.3606 52.8923 39.2959 176.5365 78 A 3.8495 7.7785 123.4815 55.2830 18.2863 179.7317 79 A 3.9150 7.8134 117.2952 55.2070 18.5378 179.6248 80 T 3.9921 7.6590 113.4393 66.6845 69.0767 176.5008 81 L 4.1562 8.2127 120.8555 55.2357 42.0266 176.7632 82 L 5.1799 7.5209 118.0139 52.9615 43.6546 176.6100 83 S 4.5495 8.8148 116.5461 59.1979 63.8742 174.3422 84 S 4.6759 7.4752 115.7642 56.0568 66.7053 171.6155 85 P 4.4224 0.0000 0.0000 61.8737 31.7950 174.4121 86 P 4.4179 0.0000 0.0000 62.0219 32.3556 175.0655 87 N 4.5626 8.4838 119.6831 52.4708 39.1245 174.4798 88 I 4.1203 8.2464 127.6882 60.8313 37.9520 175.3982 89 E 4.4828 9.3576 128.7226 55.3583 30.7684 176.4239 90 K 4.6062 8.7438 124.5441 56.2725 33.2661 176.6201 91 V 4.5307 8.6862 123.6231 61.0747 34.9312 173.7151 92 E 4.6557 8.9227 128.5269 55.4061 30.7518 175.0565 93 L 4.5818 8.5989 127.4868 53.7490 42.0552 177.0542 94 L 4.1384 8.8067 124.1481 56.9557 42.2315 176.6742 95 A 4.3990 7.5558 117.3145 51.8668 21.5195 175.0851 96 A 4.6045 8.3833 121.3728 50.7501 22.1646 175.8323 97 K 4.5624 8.6114 123.1768 54.5331 33.8160 175.4178 98 L 4.9472 8.1466 124.8125 51.9324 45.6115 174.5836 99 P 4.3784 0.0000 0.0000 62.8892 31.7623 176.7914 100 A 4.0820 8.3946 122.7931 53.2512 18.9910 178.1186 101 G 4.0376 8.2598 109.0148 45.7916 0.0000 173.4658 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 T 8.17 4.50 4.38 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 1.24 0.00 0.00 3 K 8.91 4.54 0.00 1.84 1.87 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.53 7.81 4 L 8.33 5.39 0.00 1.72 1.63 0.94 1.00 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 5 A 9.11 5.17 1.09 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 0.00 0.00 6 L 8.72 5.43 0.00 1.98 1.62 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 F 9.32 5.67 0.00 3.40 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 8 V 7.92 4.44 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 0.61 0.00 0.00 0.92 0.00 0.00 9 R 8.31 4.87 0.00 1.76 1.78 0.00 3.06 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 10 L 9.20 4.86 0.00 1.71 1.59 1.03 0.83 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 11 E 8.77 5.17 0.00 1.90 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 2.32 2.23 0.00 12 A 9.24 4.72 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 13 K 9.08 4.12 0.00 1.67 1.75 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.46 7.81 14 P 0.00 4.62 0.00 2.05 2.04 0.00 3.73 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 15 G 9.25 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 0.00 0.00 0.00 16 Q 8.18 4.59 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 17 E 8.30 3.96 0.00 2.15 2.35 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 2.65 2.56 0.00 18 A 8.04 4.01 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 19 A 7.94 3.97 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 20 L 8.17 3.81 0.00 1.59 1.33 0.88 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.55 3.70 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 22 D 8.53 4.30 0.00 2.71 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 23 F 8.15 4.09 0.00 3.07 3.30 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 24 L 8.49 4.16 0.00 1.91 1.82 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.28 4.15 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 26 S 8.21 4.13 0.00 3.94 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 27 A 7.51 3.89 1.04 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 0.00 0.00 0.00 0.00 0.00 28 L 7.48 3.46 0.00 1.85 1.64 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.11 0.00 2.08 2.00 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 2.03 2.10 0.00 30 L 7.53 3.83 0.00 1.48 1.52 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.35 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.02 4.21 0.00 2.75 2.83 0.00 0.00 7.02 8.01 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 33 A 7.76 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.74 4.21 0.00 2.18 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 2.30 2.49 0.00 35 S 8.52 4.15 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 36 G 8.08 3.74 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 0.00 0.00 0.00 37 T 7.53 4.53 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 1.19 0.00 0.00 38 T 8.59 4.16 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 1.22 0.00 0.00 39 A 7.58 4.73 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 40 W 7.96 5.37 0.00 3.09 2.89 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 0.00 41 F 8.86 4.56 0.00 2.87 2.80 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 0.00 0.00 0.00 42 A 8.21 4.45 1.09 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 0.00 0.00 43 L 9.00 4.62 0.00 1.36 1.03 1.11 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.22 4.32 0.00 1.79 1.59 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.04 0.77 7.81 45 F 8.84 4.36 0.00 3.07 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 46 G 7.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.22 2.24 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 48 S 8.04 5.10 0.00 3.98 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 49 T 7.61 5.14 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 1.25 0.00 0.00 50 F 9.66 5.24 0.00 2.95 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 51 G 8.26 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 52 V 7.97 4.89 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 0.62 0.00 0.00 0.94 0.00 0.00 53 F 8.92 5.65 0.00 3.38 2.95 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 54 D 8.16 5.05 0.00 2.45 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 55 A 8.03 4.77 1.13 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 0.00 0.00 56 F 9.07 5.32 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 57 A 8.31 4.25 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 58 D 7.79 4.58 0.00 2.89 2.80 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 0.00 0.00 0.00 59 E 8.76 3.91 0.00 2.09 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 2.36 2.40 0.00 60 A 8.09 4.07 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 61 G 8.77 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.63 2.51 0.00 1.44 1.92 0.00 3.22 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.00 63 Q 8.41 3.91 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 64 A 7.88 3.94 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 65 H 8.10 4.25 0.00 3.47 3.35 0.00 5.79 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 66 L 7.63 4.06 0.00 1.74 1.69 0.87 1.15 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 67 N 8.17 4.84 0.00 2.75 2.81 0.00 0.00 6.86 8.35 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 68 G 7.89 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 69 Q 7.63 4.08 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 70 I 7.57 3.74 1.88 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.54 1.10 0.00 0.00 71 A 7.91 4.04 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 72 A 7.80 4.08 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 A 8.20 4.23 1.64 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 0.00 0.00 74 L 8.42 3.92 0.00 2.13 1.72 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *76 A 8.01 4.27 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 77 N 7.57 4.74 0.00 2.28 2.57 0.00 0.00 6.74 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.78 3.85 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 79 A 7.81 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 3.99 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 1.17 0.00 0.00 81 L 8.21 4.16 0.00 1.53 1.59 0.48 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.52 5.18 0.00 1.65 1.67 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.81 4.55 0.00 3.96 3.99 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 0.00 0.00 0.00 84 S 7.48 4.68 0.00 3.82 3.74 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 85 P 0.00 4.42 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.70 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 86 P 0.00 4.42 0.00 2.19 2.15 0.00 3.75 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 1.94 0.00 87 N 8.48 4.56 0.00 2.70 2.80 0.00 0.00 7.08 7.94 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 88 I 8.25 4.12 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 1.38 0.55 0.97 0.00 0.00 89 E 9.36 4.48 0.00 2.25 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 2.41 2.46 0.00 90 K 8.74 4.61 0.00 1.69 1.79 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.48 7.81 91 V 8.69 4.53 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 1.17 0.00 0.00 1.12 0.00 0.00 92 E 8.92 4.66 0.00 2.06 1.87 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 2.29 2.37 0.00 93 L 8.60 4.58 0.00 1.66 1.66 1.13 1.12 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 94 L 8.81 4.14 0.00 1.65 1.73 0.93 0.82 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 95 A 7.56 4.40 1.19 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 0.00 0.00 96 A 8.38 4.60 1.26 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 0.00 0.00 0.00 97 K 8.61 4.56 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.43 7.81 98 L 8.15 4.95 0.00 1.65 1.54 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.38 0.00 2.05 2.01 0.00 3.72 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 2.06 2.12 0.00 100 A 8.39 4.08 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 0.00 101 G 8.26 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.