NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 G 3.9429 8.1976 109.7334 45.6065 0.0000 173.7975 43 S 3.7764 8.5428 113.4273 61.0207 63.1692 174.4013 44 A 4.0080 8.1600 124.5060 55.0835 18.4546 180.1646 45 H 4.1635 8.1981 115.9930 59.3101 29.9682 177.2509 46 A 3.9828 7.7834 122.6684 55.0759 18.1283 179.7111 47 I 3.8895 7.9544 118.6328 64.3473 37.0943 178.1991 48 N 4.2793 7.9397 117.5404 56.6859 38.6531 177.2249 49 K 3.9261 7.9603 118.3701 59.3852 32.5696 178.9842 50 A 4.1952 8.5245 121.6401 55.0697 18.1983 179.8503 51 G 3.6072 8.1851 104.5585 47.9607 0.0000 175.9893 52 S 4.1447 7.9851 115.6026 61.1803 63.0585 176.3154 53 L 4.2076 7.8458 122.1178 57.4710 41.0470 179.4706 54 R 4.3981 7.9572 115.4394 57.1661 29.6223 178.2668 *56 Q 4.3647 8.1133 119.8305 56.2433 30.9873 177.8526 57 S 4.2092 8.5415 114.1556 61.9770 62.7689 176.3006 58 Y 4.1846 7.9821 119.1164 60.4259 37.4094 178.0790 59 R 3.9786 8.0730 119.0521 59.3108 30.5769 178.0049 60 L 4.1669 8.0448 118.9664 57.6351 41.6104 179.1541 61 L 3.9584 7.9386 120.1517 58.0759 41.8724 178.5948 62 A 4.2425 8.3567 118.7144 53.6806 18.4207 178.1552 63 A 4.4341 7.5549 117.8912 50.8807 19.8068 177.4678 64 V 3.7819 7.1414 118.9275 61.6853 32.2073 173.9703 65 P 4.5303 0.0000 0.0000 62.3033 31.9501 176.3381 66 L 4.3829 8.3041 122.5088 54.7595 42.4296 175.8406 67 S 4.7630 8.9712 114.9185 55.6923 66.5354 174.6976 68 E 4.1387 8.7414 118.8432 59.2694 28.6770 179.5469 69 K 4.0664 8.0691 117.5634 59.3918 32.8720 177.7294 70 D 4.6625 8.3308 119.1268 54.4327 41.1274 177.8619 71 K 3.8938 7.9827 121.6395 59.2988 31.9726 176.7053 72 P 4.3408 0.0000 0.0000 65.2442 31.0334 178.4408 73 L 4.0360 7.7311 117.3491 57.8712 41.6186 179.3547 74 I 4.0819 7.6959 117.9822 64.5058 37.4584 178.1759 75 K 4.2928 8.1946 119.3687 59.2137 31.8088 179.5894 76 E 4.1975 8.4043 118.0536 56.4827 29.4635 178.1250 *78 E 3.6692 8.1469 119.3821 55.5816 31.4846 177.3782 79 Q 4.0102 8.4563 118.7095 59.5576 29.4591 177.6970 80 T 3.9543 8.2959 114.3493 66.6490 68.6190 176.5793 81 A 3.7200 7.8276 122.2356 54.4759 18.3402 178.0304 82 F 4.6543 7.8454 111.9700 57.1128 39.7305 176.7454 83 S 4.3269 7.7115 117.1362 58.3918 64.5936 175.1266 84 A 4.0468 8.5525 125.0363 55.2631 18.2002 180.0749 85 E 3.8797 8.1062 116.7342 59.6160 29.5845 179.2093 86 L 4.0293 7.7300 120.1827 58.2647 42.0450 179.0325 87 T 3.8671 7.8200 115.4373 66.8376 68.3673 176.8132 88 R 4.2018 8.3985 121.0174 58.6812 30.0531 179.0164 89 A 3.7187 8.0206 120.3639 54.9493 18.1888 179.5993 90 A 4.1687 8.3420 119.6828 55.2106 18.1877 179.6552 91 E 3.9017 8.4477 117.4120 59.8540 29.3904 179.9421 92 R 4.0237 8.0343 116.7591 58.7204 30.1762 177.8894 93 D 4.7656 7.9214 115.9606 53.4775 41.1727 176.9019 94 G 3.9032 7.6939 106.2239 46.6657 0.0000 174.2643 95 Q 5.3477 8.2343 115.6418 54.4494 29.6806 177.6426 96 L 3.9728 8.1163 122.4678 58.2327 42.1114 178.6939 97 A 4.0782 7.9867 120.2740 55.1653 18.3503 179.5095 98 Q 3.8827 7.9705 116.0406 58.9383 28.9152 178.3832 99 L 3.8229 8.0537 121.4621 58.4284 42.1130 178.9160 100 Q 4.4369 8.0234 119.7217 58.4175 28.6149 179.3720 101 G 3.6606 8.2706 106.6243 47.8129 0.0000 175.8528 102 L 4.2865 8.0006 121.4162 57.5784 41.0961 179.5420 103 Q 4.0129 8.6062 118.5249 59.1674 28.5528 178.6451 104 D 4.5880 8.4865 119.9697 57.5732 40.7731 178.2438 105 Y 3.9680 8.5136 120.1965 60.2410 38.7843 177.6999 106 W 3.7487 8.7938 129.5912 60.5394 30.6117 178.2669 107 R 3.6190 8.1753 116.5751 59.0581 29.7416 178.1954 108 N 4.5389 8.2498 114.2504 53.9070 39.1342 175.2215 109 E 4.1010 7.2537 118.4514 57.0269 31.9350 177.2570 110 L 3.6291 7.5515 120.0537 58.1093 41.8657 178.8833 111 I 3.2985 6.7873 118.2081 63.7573 37.0001 176.2194 112 P 4.2054 0.0000 0.0000 65.5723 31.1700 178.1769 113 A 4.1065 7.7464 119.4450 54.7859 18.0539 180.1345 114 L 3.9356 7.6448 116.3349 54.8652 41.9361 178.4568 *116 R 4.1634 8.0009 114.5978 55.2900 31.2807 175.3152 117 A 4.1139 7.4385 121.6469 52.5012 18.8190 177.5497 118 Q 4.2882 8.6657 121.8070 57.0484 29.3582 175.8672 119 N 5.1549 7.6209 113.2523 50.4633 40.7019 175.3430 120 R 3.9823 8.5908 118.4463 59.4829 30.4401 179.0116 121 E 3.9960 8.2613 116.5271 59.5138 29.4922 178.1585 122 T 4.1902 7.4938 106.5204 63.0201 69.4027 175.3398 123 V 4.4595 7.4899 119.1928 60.1279 33.3693 177.2794 124 S 4.1054 8.5277 117.2833 61.8115 62.6805 176.2639 125 A 4.0332 7.9868 124.0057 54.7379 18.1751 178.9061 126 D 4.3084 8.0678 116.1757 57.4841 41.4010 178.4969 127 V 3.5748 7.8295 118.7298 66.2056 31.5337 178.2634 128 S 4.2062 8.0807 114.9043 61.3724 62.5979 176.5471 129 Q 3.9223 8.3177 122.5508 59.1408 28.7977 177.8742 130 F 4.0772 8.3007 121.7081 61.4449 39.3964 177.2323 131 V 3.4990 8.0952 117.5516 65.8495 31.3149 177.8968 132 A 4.2859 8.1260 120.8612 54.8745 18.0559 179.8249 133 G 3.3427 7.8440 104.2986 47.9455 0.0000 175.8892 134 L 3.7082 7.7350 122.0264 57.3268 41.5429 179.1803 135 D 4.3032 8.2927 119.2477 57.7338 40.7531 179.1089 136 Q 4.0346 7.8937 118.1450 58.5484 28.6166 178.6733 137 L 3.7620 7.3151 121.5890 58.0370 42.0803 179.1622 138 V 3.2876 7.7553 118.5237 66.0998 31.4588 178.0873 139 S 4.2190 8.5906 115.3200 61.3443 62.4935 176.9463 140 G 4.1218 8.0328 109.7897 47.4386 0.0000 175.5754 141 F 4.5568 8.1049 121.0766 60.2376 38.9203 177.2880 142 D 4.3515 8.5765 117.7403 57.6786 40.9078 178.5739 143 R 3.9455 8.3545 117.4040 59.5729 30.0924 178.9946 144 T 4.0809 8.1104 115.1641 66.7224 68.7126 176.7469 145 T 4.0652 8.1308 117.8730 66.3543 68.3618 177.3024 146 E 3.8049 8.1871 119.2664 56.5869 29.5957 178.4246 *148 R 4.1880 7.9728 119.0031 55.9658 32.0688 177.1687 149 I 3.6790 7.6625 118.5064 64.6961 37.0287 178.0719 150 E 3.9229 8.5137 120.0690 59.4732 29.1655 179.0760 151 T 3.8433 7.7193 114.6234 66.3745 68.6845 175.9683 152 A 4.1081 7.8890 121.3800 55.1187 18.4791 179.0064 153 A 4.0276 7.9765 117.8943 55.4464 18.5715 177.9541 154 A 4.2361 8.0914 122.1313 52.6470 18.6223 177.1417 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 42 G 8.20 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 43 S 8.54 3.78 0.00 4.06 4.07 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 0.00 0.00 0.00 0.00 44 A 8.16 4.01 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 45 H 8.20 4.16 0.00 3.24 3.46 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.78 3.98 1.15 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 0.00 0.00 47 I 7.95 3.89 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.98 0.95 0.00 0.00 48 N 7.94 4.28 0.00 2.84 2.96 0.00 0.00 7.20 7.58 0.00 0.00 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 K 7.96 3.93 0.00 1.78 1.82 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.46 7.81 50 A 8.52 4.20 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.19 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 0.00 0.00 0.00 52 S 7.99 4.14 0.00 4.05 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 53 L 7.85 4.21 0.00 1.86 1.80 0.81 0.62 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 54 R 7.96 4.40 0.00 2.01 2.03 0.00 3.21 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 *56 Q 8.11 4.36 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 57 S 8.54 4.21 0.00 4.12 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 58 Y 7.98 4.18 0.00 3.03 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 59 R 8.07 3.98 0.00 1.88 2.17 0.00 3.28 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 60 L 8.04 4.17 0.00 1.95 1.71 1.03 0.54 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 61 L 7.94 3.96 0.00 1.72 1.91 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.36 4.24 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 63 A 7.55 4.43 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 64 V 7.14 3.78 2.21 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 0.88 0.00 0.00 0.96 0.00 0.00 65 P 0.00 4.53 0.00 2.21 2.18 0.00 3.82 0.00 0.00 3.79 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 66 L 8.30 4.38 0.00 1.64 1.63 0.88 0.92 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 67 S 8.97 4.76 0.00 3.92 3.93 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 0.00 0.00 0.00 68 E 8.74 4.14 0.00 2.00 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 2.40 2.31 0.00 69 K 8.07 4.07 0.00 1.89 1.96 0.00 1.46 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.60 7.81 70 D 8.33 4.66 0.00 2.78 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 71 K 7.98 3.89 0.00 1.87 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 72 P 0.00 4.34 0.00 2.22 2.10 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 73 L 7.73 4.04 0.00 1.88 1.80 1.01 0.94 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 74 I 7.70 4.08 2.07 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.51 1.00 0.00 0.00 75 K 8.19 4.29 0.00 1.87 1.91 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 76 E 8.40 4.20 0.00 2.06 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 0.00 2.50 2.34 0.00 *78 E 8.15 3.67 0.00 2.50 2.21 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 2.26 2.53 0.00 79 Q 8.46 4.01 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 80 T 8.30 3.95 4.17 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 0.00 0.00 1.18 0.00 0.00 81 A 7.83 3.72 0.64 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 82 F 7.85 4.65 0.00 2.97 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 83 S 7.71 4.33 0.00 4.01 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 0.00 84 A 8.55 4.05 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 85 E 8.11 3.88 0.00 2.04 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 2.41 2.39 0.00 86 L 7.73 4.03 0.00 1.72 1.67 1.06 1.26 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 87 T 7.82 3.87 4.37 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 1.23 0.00 0.00 88 R 8.40 4.20 0.00 1.82 1.94 0.00 3.12 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 89 A 8.02 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.34 4.17 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.90 0.00 2.16 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 2.57 0.00 92 R 8.03 4.02 0.00 1.67 1.94 0.00 3.07 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 93 D 7.92 4.77 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.69 3.90 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 0.00 0.00 0.00 95 Q 8.23 5.35 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 96 L 8.12 3.97 0.00 1.78 1.68 0.94 1.14 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 97 A 7.99 4.08 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 98 Q 7.97 3.88 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 99 L 8.05 3.82 0.00 1.72 1.81 0.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.02 4.44 0.00 2.30 2.19 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 2.55 2.40 0.00 101 G 8.27 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.00 4.29 0.00 1.83 1.73 0.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.61 4.01 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.57 2.37 0.00 104 D 8.49 4.59 0.00 2.98 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 0.00 105 Y 8.51 3.97 0.00 3.36 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 0.00 106 W 8.79 3.75 0.00 3.56 3.53 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 0.00 107 R 8.18 3.62 0.00 2.02 2.03 0.00 3.32 0.00 0.00 3.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.60 0.00 108 N 8.25 4.54 0.00 2.64 2.78 0.00 0.00 6.78 7.64 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 0.00 109 E 7.25 4.10 0.00 1.19 1.12 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 1.99 1.79 0.00 110 L 7.55 3.63 0.00 1.42 1.10 0.88 0.63 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 0.00 111 I 6.79 3.30 1.15 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 -0.36 0.57 0.00 0.00 112 P 0.00 4.21 0.00 1.83 1.98 0.00 3.36 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 113 A 7.75 4.11 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 0.00 114 L 7.64 3.94 0.00 1.69 1.62 0.81 1.09 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 *116 R 8.00 4.16 0.00 1.90 2.04 0.00 2.99 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 117 A 7.44 4.11 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 0.00 118 Q 8.67 4.29 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 119 N 7.62 5.15 0.00 2.89 2.86 0.00 0.00 6.29 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 0.00 120 R 8.59 3.98 0.00 1.92 2.06 0.00 3.18 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 121 E 8.26 4.00 0.00 1.96 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 2.33 2.32 0.00 122 T 7.49 4.19 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 1.30 0.00 0.00 123 V 7.49 4.46 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 0.82 0.00 0.00 0.88 0.00 0.00 124 S 8.53 4.11 0.00 4.14 4.30 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 0.00 125 A 7.99 4.03 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 0.00 126 D 8.07 4.31 0.00 2.83 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 0.00 127 V 7.83 3.57 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 0.36 0.00 0.00 0.88 0.00 0.00 128 S 8.08 4.21 0.00 4.11 4.02 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 0.00 129 Q 8.32 3.92 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 130 F 8.30 4.08 0.00 3.23 3.25 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 0.00 131 V 8.10 3.50 2.31 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 1.09 0.00 0.00 1.01 0.00 0.00 132 A 8.13 4.29 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 0.00 133 G 7.84 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 0.00 0.00 0.00 134 L 7.74 3.71 0.00 1.63 1.52 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.29 4.30 0.00 2.80 2.67 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 0.00 136 Q 7.89 4.03 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 137 L 7.32 3.76 0.00 1.42 1.52 0.66 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.76 3.29 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 1.02 0.00 0.00 0.82 0.00 0.00 139 S 8.59 4.22 0.00 3.95 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 0.00 140 G 8.03 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 0.00 0.00 0.00 141 F 8.10 4.56 0.00 3.23 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 0.00 142 D 8.58 4.35 0.00 2.76 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 0.00 143 R 8.35 3.95 0.00 1.78 1.99 0.00 3.22 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 144 T 8.11 4.08 4.27 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 0.00 0.00 0.00 1.21 0.00 0.00 145 T 8.13 4.07 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 1.21 0.00 0.00 146 E 8.19 3.80 0.00 2.17 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 0.00 2.31 2.36 0.00 *148 R 7.97 4.19 0.00 2.16 2.03 0.00 3.28 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 149 I 7.66 3.68 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 1.40 0.67 0.91 0.00 0.00 150 E 8.51 3.92 0.00 2.01 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 2.30 2.35 0.00 151 T 7.72 3.84 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 1.21 0.00 0.00 152 A 7.89 4.11 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 0.00 153 A 7.98 4.03 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 0.00 154 A 8.09 4.24 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 * Residues marked with a * may have inaccurate shift predictions.