NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6214 8.1633 120.6106 55.4548 34.2689 173.7151 2 K 4.7867 9.1039 121.6246 53.5410 36.6722 173.4969 3 L 5.0285 9.7089 125.6794 53.5568 44.8700 174.8294 4 I 4.7379 9.0428 128.4474 60.3133 39.0617 175.0849 5 V 4.9235 9.2357 127.1055 61.2281 34.0410 173.8305 6 A 5.2261 9.0110 130.1743 50.1415 22.2948 174.7216 7 I 4.8904 8.6668 122.8302 59.8206 39.5478 175.3609 8 V 4.8802 8.8561 120.1078 58.9560 36.2833 175.6829 9 R 4.3573 8.3833 120.6671 55.5452 30.9781 176.3933 10 P 4.3009 0.0000 0.0000 65.6643 31.1739 178.6506 11 E 4.1561 8.1851 114.2293 58.1660 29.8222 177.9290 12 K 4.3915 7.8910 118.6117 56.1779 32.8480 177.6689 13 L 3.9327 7.7431 121.9096 58.4785 41.9794 178.5498 14 N 4.3638 8.1365 115.6641 56.3361 38.5097 176.8568 15 E 3.9273 8.0981 120.2229 59.1018 29.7469 178.9005 16 V 3.5817 7.9406 118.4216 66.1135 31.6748 178.0401 17 L 4.0112 8.4241 119.1174 57.6333 41.4114 179.5088 18 K 3.9917 8.3378 119.5243 59.4216 32.1814 178.8044 19 A 4.0561 8.1370 121.1370 55.0989 18.2039 179.6692 20 L 3.9450 8.2324 117.6961 57.8818 41.8427 179.4076 21 F 4.1186 8.4295 120.6389 61.5463 39.1118 177.2146 22 Q 3.9966 8.3077 116.1251 58.0094 28.5408 177.3060 23 A 4.3576 7.4588 119.9307 51.5019 18.8524 177.2379 24 E 3.4631 7.4211 115.8361 57.1825 27.3807 174.3128 25 V 4.0654 7.8783 119.7793 61.8167 31.7921 175.4491 26 R 4.4197 8.5853 126.3803 57.0380 31.9285 176.8727 27 G 3.8615 7.9567 107.3326 44.9143 0.0000 172.3728 28 L 4.6477 7.8478 123.6273 55.5001 43.2050 174.0263 29 T 4.9533 8.6985 115.6661 62.0303 72.7761 173.0997 30 L 5.6209 8.4477 122.8139 55.4584 43.7473 174.1883 31 S 4.6259 8.2328 112.1880 57.7912 65.9593 174.1275 32 R 4.7688 8.5364 119.7571 55.9422 31.1313 176.2108 33 V 4.6438 8.6565 114.8867 60.2256 36.8932 173.7932 34 Q 5.1323 8.6461 119.6303 54.6282 31.7764 175.3298 35 G 4.3281 9.1422 108.3015 45.5816 0.0000 170.8895 36 H 5.3507 8.6601 119.0234 54.1998 32.3424 173.7911 37 G 3.5514 8.4995 112.7891 47.8652 0.0000 174.2236 *53 M 4.2688 7.8978 118.1926 55.0060 33.7973 174.6144 54 E 4.0230 8.1636 115.1819 56.6950 28.8744 175.6021 55 L 4.9806 8.0867 124.0640 53.5971 43.9786 175.8336 56 H 5.0010 9.1495 118.9620 53.6548 32.5446 172.8330 57 E 4.5757 8.8200 123.1099 56.5380 30.5497 175.6653 58 K 4.7903 9.2056 124.8097 55.1396 37.9123 174.7980 59 V 4.8412 8.9396 120.4841 61.3054 34.6999 173.9478 60 R 5.1064 8.9708 128.3836 54.7755 32.0613 174.5567 61 L 5.2503 9.1030 126.5478 52.9001 45.1185 175.0670 62 E 5.0884 9.5615 123.6973 54.5719 32.6377 174.5185 63 I 4.8234 9.0455 128.3601 59.4105 40.7915 174.8602 64 G 4.2273 8.8115 115.1548 45.4951 0.0000 172.9654 65 V 4.6983 8.7314 124.9430 61.0639 35.7329 174.1993 66 S 4.5094 9.2238 121.9002 58.8075 63.3366 175.0988 67 E 3.6889 8.5092 128.3949 58.8018 30.5381 177.2408 68 P 3.9486 0.0000 0.0000 64.9470 31.6065 177.1433 69 F 4.9243 8.2412 114.8762 57.3799 39.5120 177.7703 70 V 3.5848 7.8370 122.1938 65.9572 31.2449 177.6344 71 K 3.8191 8.1023 118.7909 59.4585 31.9669 176.5718 72 P 4.5716 0.0000 0.0000 65.2831 31.3888 178.8616 73 T 3.8851 7.8975 114.1025 66.5611 68.3364 176.9753 74 V 3.6104 8.1763 120.5849 66.1518 31.1098 177.8677 75 E 3.9459 8.6490 118.4573 59.3783 29.3881 179.2321 76 A 4.0309 8.0383 120.8053 55.1234 18.3370 179.8642 77 I 3.6829 7.7022 117.8956 64.3862 37.1290 178.3525 78 L 3.9603 8.1475 120.2140 57.9998 41.2970 179.9321 79 K 4.0495 7.8808 116.3033 59.5303 32.1057 179.1382 80 A 4.1268 7.7799 119.0777 54.5221 18.4184 178.7782 81 A 4.2252 8.1523 117.7467 52.3246 19.5065 177.7743 82 R 4.2973 7.0398 117.0080 56.2737 30.7310 176.1867 83 T 4.4373 9.2524 112.6956 60.5155 70.3755 175.2389 84 G 3.9431 8.8478 109.3678 44.9841 0.0000 172.8506 85 E 4.5593 7.8369 119.3772 54.1131 31.3359 175.7398 86 V 3.5373 8.1029 121.3297 64.5870 30.9599 176.0919 87 G 4.1059 9.0162 113.2226 45.4909 0.0000 175.1550 88 D 4.3456 7.5440 119.1927 55.7016 41.0698 176.0456 89 G 4.1351 8.0078 100.0594 45.0899 0.0000 172.0430 90 K 4.5942 8.1576 115.5762 54.9455 37.1496 175.4234 91 I 4.8386 7.8134 121.4126 59.6616 39.9847 175.0558 92 F 4.8471 9.5068 126.1890 55.6736 41.6720 175.0540 93 V 4.8190 8.5440 122.3244 61.4100 33.2475 174.4075 94 L 4.9345 8.8955 129.0532 52.3292 44.0993 174.7450 95 P 4.7814 0.0000 0.0000 62.7388 32.6291 175.5657 96 V 4.3211 7.7151 119.6829 61.3319 33.2577 175.1611 97 E 4.1191 9.1259 129.0521 58.8052 29.9226 176.6371 98 K 4.6174 7.5334 114.7280 54.8815 35.9574 175.4625 99 V 4.6103 7.6307 119.5428 60.3861 34.8586 173.5704 100 Y 5.0616 8.6300 119.6967 56.3631 41.9084 174.8654 101 R 4.4321 8.5320 121.5490 55.1371 31.1405 177.7031 102 I 3.7384 8.5916 125.4601 64.2726 37.5717 178.2076 103 R 4.1401 8.1852 119.5961 58.7725 29.8389 176.7177 104 T 4.4618 7.4381 104.8672 60.2734 70.1506 175.0664 105 G 3.9543 8.9298 110.6099 44.9718 0.0000 173.4184 106 E 3.8680 7.8541 120.5397 56.9325 29.7597 177.7976 107 E 3.8189 9.0861 121.8262 56.3732 29.2280 176.4306 108 D 4.4601 8.0433 124.7222 55.1037 42.8299 176.0615 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 M 8.16 4.62 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 2 K 9.10 4.79 0.00 1.69 1.76 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.60 7.81 3 L 9.71 5.03 0.00 1.72 1.53 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.04 4.74 1.91 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 1.15 0.56 0.95 0.00 0.00 5 V 9.24 4.92 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 6 A 9.01 5.23 1.24 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 0.00 0.00 0.00 7 I 8.67 4.89 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.96 0.00 0.00 8 V 8.86 4.88 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 0.75 0.00 0.00 1.00 0.00 0.00 9 R 8.38 4.36 0.00 1.87 1.85 0.00 3.13 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 P 0.00 4.30 0.00 2.16 2.11 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 11 E 8.19 4.16 0.00 2.12 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 2.28 2.40 0.00 12 K 7.89 4.39 0.00 1.95 1.86 0.00 1.93 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.72 7.81 13 L 7.74 3.93 0.00 1.80 1.75 0.93 0.56 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 14 N 8.14 4.36 0.00 2.76 2.84 0.00 0.00 6.70 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 15 E 8.10 3.93 0.00 2.03 2.13 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 2.38 2.37 0.00 16 V 7.94 3.58 2.25 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 1.07 0.00 0.00 1.01 0.00 0.00 17 L 8.42 4.01 0.00 1.81 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.34 3.99 0.00 1.89 2.03 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.49 7.81 19 A 8.14 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.94 0.00 1.91 1.77 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.43 4.12 0.00 3.11 3.23 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 0.00 22 Q 8.31 4.00 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 23 A 7.46 4.36 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 24 E 7.42 3.46 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 25 V 7.88 4.07 2.19 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 0.78 0.00 0.00 0.91 0.00 0.00 26 R 8.59 4.42 0.00 1.81 1.97 0.00 3.53 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 27 G 7.96 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.85 4.65 0.00 1.61 1.63 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.70 4.95 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 1.23 0.00 0.00 30 L 8.45 5.62 0.00 1.69 1.61 0.93 0.67 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 31 S 8.23 4.63 0.00 3.87 3.96 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 0.00 0.00 0.00 32 R 8.54 4.77 0.00 1.73 1.90 0.00 3.16 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 33 V 8.66 4.64 2.10 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 0.77 0.00 0.00 0.96 0.00 0.00 34 Q 8.65 5.13 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 35 G 9.14 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 0.00 0.00 0.00 0.00 36 H 8.66 5.35 0.00 3.11 3.18 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.50 3.55 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 0.00 0.00 0.00 *53 M 7.90 4.27 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 54 E 8.16 4.02 0.00 2.12 2.03 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 2.44 2.51 0.00 55 L 8.09 4.98 0.00 1.53 1.63 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.15 5.00 0.00 3.06 3.18 0.00 5.81 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 57 E 8.82 4.58 0.00 1.98 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 2.30 2.42 0.00 58 K 9.21 4.79 0.00 1.67 1.79 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.55 7.81 59 V 8.94 4.84 2.10 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 0.98 0.00 0.00 0.94 0.00 0.00 60 R 8.97 5.11 0.00 1.94 1.79 0.00 3.12 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 61 L 9.10 5.25 0.00 1.64 1.55 0.94 0.56 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 62 E 9.56 5.09 0.00 1.97 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 2.21 2.27 0.00 63 I 9.05 4.82 1.90 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 1.19 0.62 0.98 0.00 0.00 64 G 8.81 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 0.00 0.00 0.00 0.00 65 V 8.73 4.70 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 1.04 0.00 0.00 0.97 0.00 0.00 66 S 9.22 4.51 0.00 4.01 3.85 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 0.00 0.00 0.00 67 E 8.51 3.69 0.00 2.06 1.80 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 2.32 2.39 0.00 68 P 0.00 3.95 0.00 0.72 1.52 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 69 F 8.24 4.92 0.00 3.13 2.99 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 70 V 7.84 3.58 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 1.07 0.00 0.00 0.98 0.00 0.00 71 K 8.10 3.82 0.00 1.85 1.81 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.71 1.55 7.81 72 P 0.00 4.57 0.00 2.31 2.16 0.00 4.14 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 73 T 7.90 3.89 4.41 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 1.24 0.00 0.00 74 V 8.18 3.61 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 1.11 0.00 0.00 1.00 0.00 0.00 75 E 8.65 3.95 0.00 2.19 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 2.33 2.55 0.00 76 A 8.04 4.03 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 77 I 7.70 3.68 2.01 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 1.54 0.84 0.91 0.00 0.00 78 L 8.15 3.96 0.00 1.82 1.72 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.88 4.05 0.00 1.74 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.69 7.81 80 A 7.78 4.13 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 81 A 8.15 4.23 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 82 R 7.04 4.30 0.00 2.05 1.83 0.00 3.25 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 83 T 9.25 4.44 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 1.25 0.00 0.00 84 G 8.85 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 85 E 7.84 4.56 0.00 2.04 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 2.25 2.22 0.00 86 V 8.10 3.54 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 0.91 0.00 0.00 87 G 9.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.54 4.35 0.00 2.77 2.73 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 0.00 0.00 0.00 89 G 8.01 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 0.00 0.00 0.00 90 K 8.16 4.59 0.00 1.27 1.12 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.39 7.81 91 I 7.81 4.84 1.77 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 1.30 0.53 0.90 0.00 0.00 92 F 9.51 4.85 0.00 3.01 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 93 V 8.54 4.82 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 0.85 0.00 0.00 0.95 0.00 0.00 94 L 8.90 4.93 0.00 1.63 1.56 0.91 0.78 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 95 P 0.00 4.78 0.00 2.08 2.05 0.00 3.72 0.00 0.00 3.60 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 96 V 7.72 4.32 2.27 0.00 0.00 0.00 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 0.96 0.00 0.00 97 E 9.13 4.12 0.00 1.98 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 2.29 2.33 0.00 98 K 7.53 4.62 0.00 1.77 1.36 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.40 7.81 99 V 7.63 4.61 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 0.74 0.00 0.00 0.93 0.00 0.00 100 Y 8.63 5.06 0.00 2.79 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 0.00 101 R 8.53 4.43 0.00 1.81 1.88 0.00 3.14 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 102 I 8.59 3.74 1.89 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 1.32 0.89 0.92 0.00 0.00 103 R 8.19 4.14 0.00 1.78 1.99 0.00 3.18 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 104 T 7.44 4.46 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 1.23 0.00 0.00 105 G 8.93 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 0.00 106 E 7.85 3.87 0.00 2.12 1.92 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 2.33 2.45 0.00 107 E 9.09 3.82 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 2.54 2.39 0.00 108 D 8.04 4.46 0.00 2.49 2.46 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 * Residues marked with a * may have inaccurate shift predictions.