NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 I 4.0760 8.1245 118.5339 59.6367 37.9439 177.2611 18 Q 3.7490 7.9715 115.9112 57.6859 28.3200 181.4972 19 D 4.4559 8.2838 115.7233 56.6771 40.8013 182.2369 20 F 4.3514 7.8545 116.7201 58.8188 39.5081 175.0597 21 A 3.6744 7.8329 121.2164 52.9908 15.3698 176.9875 22 R 4.2793 7.3961 119.1147 54.8957 31.5344 177.0624 23 S 4.5166 8.8246 119.9558 59.9235 66.3442 176.7945 24 E 4.1054 9.0957 121.4133 57.1468 26.8895 173.3881 25 L 4.3238 7.2603 120.7037 56.1278 42.9890 178.4505 26 F 3.9305 7.7524 118.5708 61.4594 39.2241 177.1369 27 D 4.3855 8.6346 117.4878 57.4302 40.8263 178.8357 28 R 4.0465 9.2454 119.5138 59.4873 30.3714 178.2434 29 T 3.9427 7.6907 111.8465 64.3933 67.3963 175.8625 30 F 3.8868 8.1874 123.4408 61.3424 39.4826 176.9189 31 E 3.9991 7.8142 118.7323 59.2253 29.3356 178.9551 32 E 4.0169 8.0992 119.3367 59.0317 29.5490 179.1413 33 G 3.4607 7.8711 105.8213 48.0423 0.0000 175.6689 34 M 3.9414 7.6469 121.0925 57.7598 31.9244 178.6745 35 Q 3.9540 7.9125 119.6651 58.8447 29.2026 177.8869 36 L 3.8876 7.7726 121.2617 58.0819 42.2566 179.1655 37 V 3.5817 7.5223 118.4465 65.8657 31.2962 177.6940 38 E 3.9708 8.0929 118.8432 59.2808 29.6410 178.6183 39 E 4.0886 8.4590 118.6053 59.1390 29.4630 179.5566 40 T 3.9368 7.9093 116.0097 66.6813 68.5249 176.8452 41 A 4.2044 7.9676 121.9666 54.9603 18.1028 179.5408 42 A 4.0026 7.9308 119.6111 55.0748 18.4135 179.3455 43 Y 4.0099 7.9255 117.7881 60.9822 38.8469 177.8579 44 L 4.1356 8.4171 118.6536 57.3299 41.8239 177.7770 45 D 4.8225 7.8310 116.1173 53.9622 43.3404 176.5433 46 G 3.7691 7.8859 106.1728 45.3584 0.0000 175.3847 47 A 4.1433 9.3373 125.6622 54.9689 19.1018 179.9888 48 G 2.9959 7.5068 105.8324 46.9621 0.0000 175.9978 49 R 3.7756 7.3402 118.9216 59.6368 29.9361 178.8808 50 H 4.2631 8.0006 113.5136 58.4367 28.8945 177.1290 51 D 4.4711 8.0862 120.9108 56.8843 41.0000 178.2142 52 S 3.9941 7.6791 114.8793 60.0192 63.1475 175.7666 53 K 4.2137 7.4981 118.5159 57.5350 32.6536 177.5253 54 V 4.1916 7.4207 111.5658 61.2408 32.1049 175.4896 55 L 4.3568 7.3480 120.8945 53.5599 42.7615 176.8989 56 S 4.4842 8.1465 115.0714 57.7436 65.2159 175.1273 57 R 3.8699 8.3479 121.4169 59.7804 29.7955 178.2173 58 N 4.3271 8.1683 115.5197 56.1124 38.5233 177.0716 59 A 4.1051 7.7440 121.2986 54.7702 18.4329 179.5235 60 A 4.0285 8.1664 119.5940 55.1804 18.5822 179.8604 61 L 4.0784 8.3941 118.0618 57.8292 41.6893 179.9910 62 G 3.6332 8.0540 105.5765 47.8474 0.0000 175.2531 63 Y 4.0417 8.3268 121.8106 60.1792 38.2452 177.8612 64 A 4.1090 8.3811 122.3290 55.5722 18.6894 179.8156 65 T 3.9332 7.8464 108.0211 64.7792 69.1051 176.5937 66 E 4.0374 8.1399 120.9211 58.7013 29.5339 179.2662 67 S 3.9878 7.8374 115.7745 61.5444 62.7269 176.4782 68 M 4.0256 7.6475 120.6046 58.3190 31.6418 178.7845 69 R 3.8084 7.7935 118.4584 59.0761 30.2059 178.3433 70 L 3.8641 7.7190 120.0402 58.4160 42.1577 179.1502 71 T 3.9653 7.8110 109.6198 64.8579 68.9091 176.9345 72 T 3.8299 8.0849 118.7391 66.4355 68.3773 176.5387 73 R 3.8691 8.0812 120.7316 59.6035 30.0640 178.5750 74 L 4.0676 8.0179 118.6406 57.6033 41.4984 179.0860 75 M 4.0553 8.0150 118.5126 58.7562 32.1904 178.2542 76 Q 4.0644 8.0544 117.9085 58.9698 28.8071 179.1370 77 V 3.6314 7.7750 119.0406 65.8591 31.6667 177.7706 78 A 4.0005 8.4662 120.9499 55.5921 18.3084 179.8347 79 S 4.1673 8.3893 113.6279 61.3129 62.8529 176.9027 80 W 4.0000 8.3209 131.1159 60.5989 30.6654 178.2012 81 L 4.5094 8.7020 119.3727 57.9798 41.0138 179.5558 82 L 4.3012 8.3207 119.0877 57.5390 41.5122 179.6822 83 V 3.5221 7.6871 117.8842 66.1556 31.5078 178.2479 84 Q 3.6804 7.8957 117.6590 58.5736 28.3261 178.7520 85 R 3.7975 8.0853 119.7395 59.1895 30.1615 178.3596 86 A 4.1139 8.1302 120.8008 55.0521 18.2011 179.8279 87 V 4.2726 8.0763 120.9968 66.2935 31.3829 179.2120 88 R 3.9485 7.6250 119.5968 60.8883 29.3131 180.0803 89 E 4.4947 8.2038 115.7999 56.6403 29.8375 177.5740 90 G 3.9524 7.5726 107.0596 45.4794 0.0000 174.5310 91 E 4.1304 8.1203 120.3544 58.2701 30.0707 177.2353 92 M 4.8398 7.5901 117.0263 52.4548 35.6520 173.2016 93 P 4.6581 0.0000 0.0000 61.5671 32.1744 176.0009 94 P 4.5110 0.0000 0.0000 65.3285 31.2951 177.1140 95 E 4.2145 8.1461 116.8184 57.2057 30.0320 175.8103 96 A 4.3158 8.6752 122.2941 51.6454 19.1270 175.2959 97 A 3.7962 8.3954 128.9349 52.3609 17.6688 177.6369 98 C 4.5960 7.7961 113.7798 60.2049 28.3582 173.7768 99 A 4.5572 7.4705 120.2573 51.3574 20.0763 176.7765 100 E 3.8970 7.3121 113.6322 56.4069 28.6400 178.5456 101 A 3.2751 7.8479 130.9807 52.8597 17.1565 178.7763 102 Y 5.7399 8.6903 120.4783 61.0102 36.4711 172.1882 *114 A 4.1057 7.2759 121.1776 51.2565 19.7220 176.5482 115 V 3.6915 8.2812 120.2876 62.0464 31.6229 176.3179 116 E 4.5339 8.5297 124.0361 54.3316 30.5402 174.2930 117 E 4.4750 8.3231 121.8560 54.3680 28.8133 176.0951 118 L 4.6450 7.7010 127.0996 53.1853 44.1281 175.2970 119 P 4.5906 0.0000 0.0000 62.6651 33.2106 177.0140 120 F 4.2986 9.0279 120.8740 61.6463 39.2616 177.7271 121 G 3.1045 8.2044 104.6602 47.5613 0.0000 175.3634 122 L 3.7938 7.8421 122.6769 57.8589 42.2917 178.4483 123 M 3.9632 8.0591 118.2005 58.5377 32.1122 178.0268 124 N 4.0854 7.7011 116.5136 56.3680 38.7666 177.5191 125 L 3.8789 7.3776 119.7557 57.4855 41.6394 179.4162 126 L 4.0067 7.6765 121.9129 57.5830 41.8788 179.0076 127 Q 4.0174 7.8865 117.6034 58.7122 28.6352 178.7728 128 R 3.9272 8.1056 119.6836 59.0866 29.6706 179.1526 129 S 4.1664 8.1270 114.1630 61.3330 62.8414 176.4955 130 E 4.0111 8.0330 121.8154 59.3840 28.8218 179.5080 131 R 3.9998 7.7904 118.1883 58.8634 30.0713 178.8469 132 L 3.9636 8.0646 120.5272 57.8730 42.0432 178.3217 133 Y 3.8627 8.1650 119.8646 60.7129 38.8116 177.9240 134 E 4.0747 8.1245 118.1305 58.9814 29.3552 178.9113 135 R 3.8119 7.6277 119.7391 59.1871 30.0034 178.6083 136 V 3.1717 7.4437 118.1493 65.5233 31.4774 177.9714 137 R 3.3550 7.7842 118.8537 59.6399 29.8094 178.2876 138 H 4.1496 8.1944 116.1647 58.6225 28.5354 177.5798 139 L 4.0147 7.5279 121.8638 57.9877 41.7473 178.5053 140 D 4.7491 8.3763 118.8093 57.3610 41.0217 178.5266 141 R 3.8356 7.9002 118.6494 59.2769 29.9626 179.1922 142 R 4.0916 7.8466 116.3034 58.6798 30.0885 177.9237 143 M 4.2331 7.6998 116.8005 56.8436 32.5369 176.1611 144 Y 4.7512 7.6908 112.8671 58.8373 41.5532 176.7340 145 V 3.8571 7.8578 118.1365 65.2605 32.0449 176.3564 146 E 4.0812 8.3002 120.6087 57.4200 29.9467 177.8238 147 S 4.4376 8.4749 116.1400 58.3221 62.6274 175.0525 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 17 I 8.12 4.08 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 1.27 1.21 0.91 0.00 0.00 18 Q 7.97 3.75 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.99 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 19 D 8.28 4.46 0.00 2.69 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 20 F 7.85 4.35 0.00 2.93 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 21 A 7.83 3.67 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 22 R 7.40 4.28 0.00 1.56 1.53 0.00 3.51 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.03 0.00 23 S 8.82 4.52 0.00 3.84 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 24 E 9.10 4.11 0.00 2.16 1.95 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 2.12 1.85 0.00 25 L 7.26 4.32 0.00 1.72 1.68 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.75 3.93 0.00 3.28 3.09 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 27 D 8.63 4.39 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 9.25 4.05 0.00 2.16 1.96 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 29 T 7.69 3.94 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 1.26 0.00 0.00 30 F 8.19 3.89 0.00 2.51 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 31 E 7.81 4.00 0.00 2.43 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 32 E 8.10 4.02 0.00 1.99 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 2.25 2.28 0.00 33 G 7.87 3.46 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 0.00 0.00 0.00 0.00 34 M 7.65 3.94 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 35 Q 7.91 3.95 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 36 L 7.77 3.89 0.00 1.98 1.59 0.87 0.61 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 37 V 7.52 3.58 2.16 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 0.92 0.00 0.00 0.98 0.00 0.00 38 E 8.09 3.97 0.00 2.22 1.91 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 2.31 2.35 0.00 39 E 8.46 4.09 0.00 2.03 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 2.33 2.50 0.00 40 T 7.91 3.94 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 1.23 0.00 0.00 41 A 7.97 4.20 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 42 A 7.93 4.00 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 43 Y 7.93 4.01 0.00 3.21 3.20 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 44 L 8.42 4.14 0.00 1.67 1.76 0.93 1.15 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 45 D 7.83 4.82 0.00 2.69 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 46 G 7.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.34 4.14 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 48 G 7.51 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 0.00 0.00 0.00 49 R 7.34 3.78 0.00 2.07 1.83 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 50 H 8.00 4.26 0.00 3.15 3.34 0.00 5.90 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.09 4.47 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 52 S 7.68 3.99 0.00 3.35 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 53 K 7.50 4.21 0.00 1.81 1.85 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.34 7.81 54 V 7.42 4.19 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 0.74 0.00 0.00 0.98 0.00 0.00 55 L 7.35 4.36 0.00 1.69 1.60 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.15 4.48 0.00 4.05 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 57 R 8.35 3.87 0.00 1.90 1.97 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 58 N 8.17 4.33 0.00 2.78 2.86 0.00 0.00 7.01 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 59 A 7.74 4.11 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 60 A 8.17 4.03 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 61 L 8.39 4.08 0.00 1.87 1.75 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.05 3.63 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 0.00 0.00 0.00 63 Y 8.33 4.04 0.00 3.21 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 64 A 8.38 4.11 1.46 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 0.00 0.00 0.00 65 T 7.85 3.93 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 1.25 0.00 0.00 66 E 8.14 4.04 0.00 2.02 1.94 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 2.35 2.46 0.00 67 S 7.84 3.99 0.00 3.85 3.72 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 0.00 0.00 0.00 68 M 7.65 4.03 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.92 0.00 69 R 7.79 3.81 0.00 1.83 1.84 0.00 3.01 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 70 L 7.72 3.86 0.00 1.87 1.77 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.81 3.97 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 1.26 0.00 0.00 72 T 8.08 3.83 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 1.25 0.00 0.00 73 R 8.08 3.87 0.00 1.83 2.04 0.00 2.99 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 1.65 1.37 0.00 74 L 8.02 4.07 0.00 1.90 1.69 0.90 0.82 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 75 M 8.02 4.06 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 76 Q 8.05 4.06 0.00 2.52 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 77 V 7.77 3.63 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 1.09 0.00 0.00 1.03 0.00 0.00 78 A 8.47 4.00 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 79 S 8.39 4.17 0.00 4.10 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 80 W 8.32 4.00 0.00 3.63 3.41 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 81 L 8.70 4.51 0.00 2.20 2.08 1.29 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.32 4.30 0.00 1.80 1.80 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.69 3.52 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 0.95 0.00 0.00 0.90 0.00 0.00 84 Q 7.90 3.68 0.00 1.94 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.00 85 R 8.09 3.80 0.00 2.11 2.10 0.00 2.87 0.00 0.00 2.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 86 A 8.13 4.11 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 87 V 8.08 4.27 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 1.42 0.00 0.00 1.03 0.00 0.00 88 R 7.62 3.95 0.00 1.97 1.83 0.00 3.31 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 89 E 8.20 4.49 0.00 2.00 2.00 0.00 0.00 0.00 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 2.33 0.00 90 G 7.57 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 91 E 8.12 4.13 0.00 2.13 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 2.34 2.27 0.00 92 M 7.59 4.84 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 93 P 0.00 4.66 0.00 2.19 1.96 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 94 P 0.00 4.51 0.00 2.13 2.19 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 1.98 1.96 0.00 95 E 8.15 4.21 0.00 1.98 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 2.29 2.37 0.00 96 A 8.68 4.32 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 97 A 8.40 3.80 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 98 C 7.80 4.60 0.00 3.13 3.08 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 0.00 0.00 0.00 99 A 7.47 4.56 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 0.00 100 E 7.31 3.90 0.00 1.87 1.74 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 2.21 2.10 0.00 101 A 7.85 3.28 1.16 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 0.00 0.00 102 Y 8.69 5.74 0.00 3.14 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 *114 A 7.28 4.11 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 0.00 115 V 8.28 3.69 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 0.76 0.00 0.00 0.94 0.00 0.00 116 E 8.53 4.53 0.00 1.92 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 2.20 2.38 0.00 117 E 8.32 4.48 0.00 2.08 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 2.21 2.32 0.00 118 L 7.70 4.65 0.00 1.71 1.76 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.59 0.00 2.51 2.32 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 120 F 9.03 4.30 0.00 3.12 3.15 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 0.00 0.00 0.00 121 G 8.20 3.10 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 0.00 0.00 0.00 122 L 7.84 3.79 0.00 2.04 1.79 0.82 0.83 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 0.00 123 M 8.06 3.96 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 124 N 7.70 4.09 0.00 2.54 2.55 0.00 0.00 7.02 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.38 3.88 0.00 1.50 1.59 0.64 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.68 4.01 0.00 1.87 1.73 0.84 0.63 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 0.00 127 Q 7.89 4.02 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 128 R 8.11 3.93 0.00 1.92 1.91 0.00 3.02 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 129 S 8.13 4.17 0.00 4.03 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 0.00 130 E 8.03 4.01 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 2.25 2.40 0.00 131 R 7.79 4.00 0.00 1.91 1.96 0.00 3.10 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 132 L 8.06 3.96 0.00 1.81 1.87 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.17 3.86 0.00 3.22 3.06 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 0.00 134 E 8.12 4.07 0.00 2.21 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 0.00 2.57 2.33 0.00 135 R 7.63 3.81 0.00 2.20 2.06 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 136 V 7.44 3.17 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 -0.35 0.00 0.00 0.76 0.00 0.00 137 R 7.78 3.36 0.00 1.40 1.70 0.00 3.08 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 138 H 8.19 4.15 0.00 3.20 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.53 4.01 0.00 1.86 1.63 1.10 1.39 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 0.00 140 D 8.38 4.75 0.00 2.43 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.90 3.84 0.00 1.85 1.90 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 142 R 7.85 4.09 0.00 2.08 2.01 0.00 3.26 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 143 M 7.70 4.23 0.00 1.88 2.33 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.13 0.00 144 Y 7.69 4.75 0.00 3.06 3.02 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 0.00 0.00 0.00 145 V 7.86 3.86 2.22 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 0.80 0.00 0.00 0.81 0.00 0.00 146 E 8.30 4.08 0.00 2.12 1.90 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 2.36 2.32 0.00 147 S 8.47 4.44 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.