NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3468 0.0000 0.0000 62.7179 32.6454 174.7914 2 Q 4.3300 8.4878 119.3282 53.7780 30.3671 172.8148 3 I 4.3713 8.1315 126.7980 59.6051 39.5654 175.3949 4 T 4.3794 8.3897 115.9560 61.3258 69.9015 174.1051 5 L 4.7136 7.9115 117.7990 54.2947 42.4244 178.2204 6 W 4.1514 8.2605 120.9629 58.6889 29.2600 176.0744 7 Q 4.8064 7.7468 115.1447 53.1763 31.5823 175.2396 8 R 3.9563 8.4977 118.5192 56.6539 30.9885 176.3460 9 P 4.6657 0.0000 0.0000 61.9707 29.7383 174.4198 10 L 4.9172 7.6726 123.6315 54.9881 43.2589 177.1870 11 V 4.6195 9.0908 115.7024 59.7276 36.5678 174.7683 12 T 4.8349 8.3821 119.1045 63.1970 69.9520 173.9938 13 I 5.1309 9.0695 118.7602 58.9242 41.7985 174.0151 14 K 5.0624 8.8789 124.0233 54.7202 35.0835 174.7299 15 I 4.5944 9.0058 127.3193 60.2245 41.9098 174.7473 16 G 3.9917 9.8316 116.1347 46.5311 0.0000 174.3474 17 G 3.9095 8.4301 105.2054 45.1896 0.0000 174.0193 18 Q 4.6354 8.1020 119.1693 53.8953 30.9579 174.3228 19 L 4.9906 8.2152 120.8498 53.9432 43.0501 176.1061 20 K 4.7254 9.3091 122.1627 54.9267 37.3647 174.3836 21 E 5.1773 8.7112 121.6016 54.6694 31.7223 174.7489 22 A 4.8697 8.9976 126.9560 50.2763 23.6046 174.4237 23 L 4.6965 8.5553 122.2755 53.8691 43.7214 175.8014 24 L 4.4204 9.0500 127.5690 54.9270 42.1835 176.5160 25 D 4.8349 8.9502 125.6083 52.0675 42.0117 176.3652 26 T 3.9332 8.6273 116.1156 64.0148 69.0098 175.9988 27 G 3.6408 8.1289 109.0492 46.2998 0.0000 172.7648 28 A 4.6104 7.8383 123.4693 50.1379 20.5521 177.5399 29 D 4.4198 8.9964 123.2767 56.9606 42.4219 176.2411 30 D 5.4363 7.9687 116.1878 51.9218 45.1596 175.2742 31 T 4.9086 8.2960 116.2574 62.3105 70.5512 174.1741 32 V 4.8757 8.6916 126.3285 61.0795 34.6933 174.1075 33 L 5.1973 9.1114 127.7421 52.5459 44.8704 176.1514 34 E 4.4890 9.2270 122.5592 55.9159 30.5184 176.4270 35 E 3.7447 8.4393 120.5390 57.4066 29.7997 175.9302 36 M 4.2662 7.5803 120.0769 54.8844 34.1751 173.7428 37 N 4.7959 8.5123 118.3089 52.6569 40.4552 174.3272 38 L 4.5782 7.9561 122.0443 51.8629 45.7028 174.4145 39 P 4.1131 0.0000 0.0000 64.5749 31.2931 175.2066 40 G 3.7757 9.0696 109.7154 45.0591 0.0000 173.3595 *41 R 4.4880 8.2184 117.2272 55.2137 30.7723 170.8740 42 W 5.2644 7.5864 114.4251 57.1929 30.9783 174.4991 *43 K 4.7560 8.6111 123.5121 52.8041 34.6235 175.1652 44 P 5.0317 0.0000 0.0000 63.2178 32.4970 176.0196 45 K 4.6846 8.6505 123.6652 54.9563 36.7206 175.3048 46 M 5.5628 8.5799 117.5925 54.8362 35.5509 175.2203 47 I 4.7956 8.9085 113.9231 59.4820 41.7775 173.8754 48 G 4.5625 8.5884 109.0899 45.1835 0.0000 172.3834 49 G 4.0811 8.7661 107.0828 44.9231 0.0000 173.3027 50 I 3.5731 8.8437 119.9295 64.2173 37.7713 178.0055 51 G 4.0124 8.8680 105.0327 44.6281 0.0000 173.0350 52 G 3.8856 6.7019 106.9454 44.1198 0.0000 172.8493 53 F 5.7736 8.4720 118.5916 55.1300 41.5199 174.7548 54 I 4.6134 8.9465 114.2235 59.7336 41.2666 174.8871 *55 K 4.6644 8.6175 127.0308 55.1243 32.6967 177.2692 56 V 4.6857 9.0014 117.2034 58.9478 36.5736 174.4192 57 R 4.7317 9.0224 120.9973 54.5599 32.7802 175.2504 58 Q 4.9548 8.7386 124.5311 54.6452 31.4263 173.5840 59 Y 5.1149 8.8520 124.2532 56.4520 40.7399 175.3061 60 D 5.0051 9.0248 123.8056 52.7965 43.1479 175.6671 61 Q 3.4248 8.3546 115.6846 57.2373 26.5687 174.0454 62 I 4.4296 7.8920 117.5537 59.9299 39.6535 175.8115 63 L 4.9063 8.3688 127.9617 54.2815 43.2253 175.5347 64 I 4.8347 8.9783 125.8628 59.4063 42.0267 173.3394 65 E 5.0184 9.3431 129.0339 54.9760 31.5706 174.9069 66 I 4.4724 8.6360 126.5110 59.8419 39.6383 175.9174 67 C 4.3030 9.5295 125.7146 60.7143 26.3029 174.6517 68 G 3.8714 8.4786 105.0021 45.8659 0.0000 173.5452 69 H 4.6969 8.4606 118.5410 53.9159 29.4880 174.5118 70 K 4.7328 8.4582 124.5699 56.4819 32.9137 176.9217 71 V 4.6459 8.9940 116.2473 60.0213 36.7851 173.8737 72 I 4.9541 7.9545 122.6052 60.0199 40.0625 175.2596 73 G 4.0833 8.8261 113.0094 46.1695 0.0000 171.8771 74 T 4.8652 8.6244 116.7399 63.2723 69.5382 174.8811 75 V 4.4852 8.8500 125.4130 61.0957 34.8699 174.0623 76 L 5.2273 9.0969 127.6836 53.2765 44.2565 175.5865 77 V 4.7408 9.2009 122.4646 60.7973 34.8616 175.5356 78 G 3.8332 7.8388 114.0021 45.6912 0.0000 170.3313 79 P 4.6474 0.0000 0.0000 62.9019 31.3877 176.5019 80 T 4.0573 7.8375 113.4760 62.2388 68.0093 172.4511 81 P 4.4173 0.0000 0.0000 65.0488 31.7946 176.1238 82 T 4.5259 7.3764 111.8496 60.5044 70.6840 172.4486 83 N 4.7269 8.7010 125.3395 53.5342 39.9010 174.2977 84 V 4.8542 9.2168 117.0490 59.5756 35.9353 174.7128 85 I 4.4509 8.9475 126.8192 60.2850 38.6146 175.9812 86 G 4.6651 8.6214 115.7537 43.9095 0.0000 174.2550 87 R 4.0807 9.2137 118.5478 58.8974 30.1767 179.1111 88 N 4.3028 8.2450 115.8218 55.6804 37.5333 176.7205 89 L 4.3453 7.7926 117.5156 56.2133 42.3191 178.6776 90 L 4.0092 8.0502 119.5049 57.9809 41.5776 179.4465 91 T 3.8644 8.0319 109.6465 65.1329 68.3130 176.4104 92 Q 4.0643 7.8435 119.1051 57.6809 28.8838 176.8285 93 I 4.1839 7.7778 109.1743 60.0897 38.1183 175.4315 94 G 3.7454 7.9409 108.8106 46.9701 0.0000 173.3432 95 C 4.4009 8.0869 119.9880 58.2030 32.4240 172.6064 96 T 4.7423 8.1897 115.6873 59.6975 71.4285 173.0323 97 L 4.6548 8.2309 121.9332 53.7997 43.1893 176.2223 98 N 5.1458 8.4808 118.5009 51.8476 42.6381 174.5963 99 F 4.5326 8.4199 116.3266 57.3648 37.6806 173.9818 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 P 0.00 4.35 0.00 2.21 2.17 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 2 Q 8.49 4.33 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 3 I 8.13 4.37 1.88 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 1.48 0.77 0.92 0.00 0.00 4 T 8.39 4.38 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 1.35 0.00 0.00 5 L 7.91 4.71 0.00 1.33 1.47 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.26 4.15 0.00 3.33 3.37 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 7 Q 7.75 4.81 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 8 R 8.50 3.96 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 9 P 0.00 4.67 0.00 2.10 2.20 0.00 3.67 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 2.18 1.97 0.00 10 L 7.67 4.92 0.00 1.56 1.63 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.09 4.62 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 0.77 0.00 0.00 0.98 0.00 0.00 12 T 8.38 4.83 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 13 I 9.07 5.13 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 1.28 1.21 0.90 0.00 0.00 14 K 8.88 5.06 0.00 1.80 1.65 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.47 7.81 15 I 9.01 4.59 1.84 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 1.09 1.27 0.87 0.00 0.00 16 G 9.83 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 0.00 0.00 0.00 17 G 8.43 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 0.00 0.00 0.00 18 Q 8.10 4.64 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 19 L 8.22 4.99 0.00 1.51 1.59 0.92 0.81 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 20 K 9.31 4.73 0.00 1.58 1.62 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.35 7.81 21 E 8.71 5.18 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.40 0.00 22 A 9.00 4.87 1.18 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 0.00 0.00 0.00 23 L 8.56 4.70 0.00 1.78 1.64 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.05 4.42 0.00 1.57 1.61 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.95 4.83 0.00 2.71 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 26 T 8.63 3.93 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 27 G 8.13 3.64 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 0.00 28 A 7.84 4.61 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 29 D 9.00 4.42 0.00 2.66 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 30 D 7.97 5.44 0.00 2.61 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 31 T 8.30 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 32 V 8.69 4.88 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 0.98 0.00 0.00 0.94 0.00 0.00 33 L 9.11 5.20 0.00 1.51 1.47 0.87 0.87 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 34 E 9.23 4.49 0.00 1.79 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 2.52 2.42 0.00 35 E 8.44 3.74 0.00 1.88 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 2.26 2.25 0.00 36 M 7.58 4.27 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 37 N 8.51 4.80 0.00 2.68 2.72 0.00 0.00 6.79 7.78 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 38 L 7.96 4.58 0.00 0.30 0.98 0.32 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.11 0.00 2.21 2.12 0.00 3.64 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 1.98 1.98 0.00 40 G 9.07 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 *41 R 8.22 4.49 0.00 1.84 1.73 0.00 3.29 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 42 W 7.59 5.26 0.00 3.02 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 0.00 0.00 0.00 *43 K 8.61 4.76 0.00 1.47 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.25 7.81 44 P 0.00 5.03 0.00 2.04 2.22 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 45 K 8.65 4.68 0.00 1.43 1.62 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.28 1.28 7.81 46 M 8.58 5.56 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 47 I 8.91 4.80 1.91 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 1.21 0.81 0.94 0.00 0.00 48 G 8.59 4.56 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 0.00 0.00 0.00 49 G 8.77 4.08 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 0.00 0.00 0.00 50 I 8.84 3.57 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 1.34 0.73 0.91 0.00 0.00 51 G 8.87 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 52 G 6.70 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 0.00 0.00 0.00 0.00 53 F 8.47 5.77 0.00 3.14 2.94 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 54 I 8.95 4.61 1.83 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 1.11 0.89 0.82 0.00 0.00 *55 K 8.62 4.66 0.00 1.57 1.63 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.66 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.04 7.81 56 V 9.00 4.69 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 0.74 0.00 0.00 0.96 0.00 0.00 57 R 9.02 4.73 0.00 1.11 0.66 0.00 2.21 0.00 0.00 2.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.29 0.00 58 Q 8.74 4.95 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 59 Y 8.85 5.11 0.00 3.09 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 60 D 9.02 5.01 0.00 2.61 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 61 Q 8.35 3.42 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 62 I 7.89 4.43 1.99 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 1.33 0.85 0.86 0.00 0.00 63 L 8.37 4.91 0.00 1.64 1.56 1.00 0.93 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 64 I 8.98 4.83 1.85 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 1.23 1.55 0.91 0.00 0.00 65 E 9.34 5.02 0.00 1.91 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 2.25 2.26 0.00 66 I 8.64 4.47 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 1.23 0.65 0.90 0.00 0.00 67 C 9.53 4.30 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 68 G 8.48 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 69 H 8.46 4.70 0.00 3.25 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.46 4.73 0.00 1.65 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 71 V 8.99 4.65 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 0.72 0.00 0.00 0.96 0.00 0.00 72 I 7.95 4.95 1.88 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 1.29 0.62 0.93 0.00 0.00 73 G 8.83 4.08 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 0.00 0.00 0.00 74 T 8.62 4.87 4.28 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 1.34 0.00 0.00 75 V 8.85 4.49 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 0.93 0.00 0.00 76 L 9.10 5.23 0.00 1.68 1.57 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.20 4.74 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 1.01 0.00 0.00 0.84 0.00 0.00 78 G 7.84 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 0.00 0.00 0.00 79 P 0.00 4.65 0.00 2.15 2.10 0.00 3.82 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 80 T 7.84 4.06 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 81 P 0.00 4.42 0.00 2.20 2.14 0.00 3.83 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 82 T 7.38 4.53 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 83 N 8.70 4.73 0.00 2.82 2.72 0.00 0.00 6.81 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 84 V 9.22 4.85 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 0.89 0.00 0.00 0.95 0.00 0.00 85 I 8.95 4.45 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 1.15 1.01 0.91 0.00 0.00 86 G 8.62 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.21 4.08 0.00 1.84 2.00 0.00 3.16 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 88 N 8.25 4.30 0.00 2.90 3.11 0.00 0.00 6.82 6.72 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 89 L 7.79 4.35 0.00 1.70 1.74 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.05 4.01 0.00 1.69 1.72 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.03 3.86 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 1.26 0.00 0.00 92 Q 7.84 4.06 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 93 I 7.78 4.18 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.51 0.96 0.00 0.00 94 G 7.94 3.75 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 0.00 0.00 0.00 95 C 8.09 4.40 0.00 2.92 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 96 T 8.19 4.74 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 97 L 8.23 4.65 0.00 1.74 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.48 5.15 0.00 2.70 2.69 0.00 0.00 6.76 7.45 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 99 F 8.42 4.53 0.00 3.07 2.83 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 * Residues marked with a * may have inaccurate shift predictions.