NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 T 4.2714 8.1744 117.3814 63.1227 69.8644 173.0070 30 V 3.8398 8.2162 123.8415 60.8079 31.8064 175.1765 31 S 4.5824 8.9860 123.4118 57.3768 66.2972 174.3506 32 L 3.9479 8.4863 124.1434 58.3180 41.8218 179.1497 33 W 4.5042 8.2742 127.8848 60.5461 30.8161 177.6108 34 E 3.8455 8.2796 117.6732 59.6669 28.8762 179.3284 35 T 3.8821 7.8908 116.7334 66.2509 68.4562 176.9449 36 V 3.5691 8.0938 120.6200 65.9678 31.7085 177.8675 37 Q 3.6601 7.4534 117.7554 58.9899 28.4568 179.3579 38 K 4.0726 7.9779 119.1161 59.1219 32.1141 179.1253 39 W 3.1934 8.2685 128.9160 60.2918 30.4613 177.9045 40 R 3.3532 8.2519 118.3057 59.2925 29.4222 178.6642 41 E 3.8229 7.9171 118.4493 59.1989 29.6659 177.9065 42 Y 3.7812 7.8055 120.0271 60.7950 38.6415 178.3227 43 R 2.7648 7.5778 119.6366 58.7947 29.9420 178.2682 44 R 3.6277 7.7173 118.6152 59.6451 30.1870 178.4721 45 Q 3.8765 8.0638 117.9103 58.9170 28.6531 178.2415 46 C 3.9556 7.7618 119.3352 59.7843 39.4975 175.4742 47 Q 3.8376 7.9311 119.9762 59.0418 28.1411 179.2125 48 R 3.8166 7.8166 119.5084 59.4590 30.0448 178.7630 49 S 4.0686 7.8679 114.7651 61.5816 62.6056 176.5129 50 L 4.0015 8.1833 120.7331 58.3436 41.4499 179.5515 51 T 4.0784 7.7169 114.3230 66.1004 68.5717 176.1374 52 E 4.3650 8.1756 118.5303 56.3302 30.6718 176.6336 53 D 4.4977 7.7088 119.2263 53.3282 41.4676 174.6893 54 P 4.4155 0.0000 0.0000 61.7405 32.0165 174.7225 55 P 4.4382 0.0000 0.0000 61.6260 31.9154 174.7977 56 P 4.1590 0.0000 0.0000 62.0427 32.0640 176.1949 57 A 3.9009 7.6452 122.5667 55.0976 18.4836 177.8687 58 T 4.6594 6.5668 107.3857 60.2968 70.6373 173.8975 59 D 4.6377 8.5783 124.0299 55.7699 40.7547 177.7258 60 L 4.1475 7.8062 120.0855 56.7941 41.9336 177.1198 61 F 4.1493 7.9910 117.9046 57.2719 39.5196 174.9442 62 C 4.2878 8.4894 120.4237 56.4912 41.1152 172.6309 63 N 5.3050 8.4681 120.4120 52.4319 39.0000 175.0842 64 R 4.6704 8.9704 121.0134 57.4449 30.3651 175.6390 65 T 4.5721 9.0133 112.2884 61.5035 71.6020 171.4937 66 F 5.5312 9.1405 130.2473 56.6367 40.5605 174.8443 67 D 4.7216 8.3579 124.9757 53.0368 39.4467 176.9241 68 E 3.6481 6.5340 119.9311 56.4481 27.8743 174.4111 69 Y 4.7500 8.1297 115.7169 57.6420 40.3120 174.9914 70 A 4.5974 8.5700 121.5402 50.0835 22.2248 173.8612 71 C 4.9010 8.8957 120.7841 55.6551 44.7129 172.9358 72 W 4.9713 9.2378 127.9977 54.5102 30.6124 174.9461 73 P 4.9497 0.0000 0.0000 62.1029 32.2615 175.5129 74 D 5.0136 8.9951 119.6566 54.8707 41.6346 176.4530 75 G 4.1686 8.7157 107.6452 44.0991 0.0000 172.3185 76 E 3.1078 8.3903 123.1804 54.6196 30.7157 174.6382 77 P 3.9379 0.0000 0.0000 63.5272 31.9016 176.1399 78 G 3.7211 8.2558 111.3238 46.5150 0.0000 173.1922 79 S 4.7978 6.6411 111.1266 55.9766 67.1117 172.8462 80 F 4.9951 9.0391 119.3367 57.2610 40.0694 175.2088 81 V 4.8866 9.3942 123.1847 61.1630 33.9477 173.9657 82 N 5.9445 9.2277 124.6624 51.1799 40.1711 173.9307 83 V 4.5593 8.3941 119.5526 59.6274 35.1845 175.0501 84 S 4.4429 8.7110 118.0502 58.8466 63.5592 174.9128 85 C 3.9470 8.2499 120.0193 56.9147 35.0852 172.5400 86 P 3.9293 0.0000 0.0000 62.2349 31.0460 177.2360 87 W 4.3081 8.3080 120.0210 58.2156 28.3792 176.3082 88 Y 4.2803 6.4139 116.9147 57.5070 38.3932 175.3677 89 L 3.4596 6.5910 121.9703 53.9944 42.0426 176.3440 90 P 4.1877 0.0000 0.0000 64.7688 31.5334 177.1728 91 W 4.7657 6.8774 112.8881 56.0458 28.6428 177.2633 92 A 3.8721 7.6666 124.5583 55.9659 17.3038 180.6187 93 S 4.2020 8.0328 111.0699 61.2532 63.2302 176.1162 94 S 4.4670 8.3175 117.9199 59.5212 63.8004 174.4249 95 V 4.6288 7.6387 115.5745 59.8933 31.9869 175.6866 96 P 4.3374 0.0000 0.0000 65.1538 31.6731 177.2937 97 Q 4.5779 7.9862 115.9457 55.3454 29.6384 175.5067 98 G 4.0298 7.8573 106.1284 46.5282 0.0000 173.0513 99 H 5.4056 9.2454 117.4935 53.7140 33.0525 173.3258 100 V 4.5999 8.5456 120.4814 60.3385 34.4269 174.2137 101 Y 5.8694 9.0007 118.7202 56.7038 42.1883 174.7004 102 R 5.1258 9.2841 120.5324 54.3607 35.0299 173.9611 103 F 5.0204 9.1932 121.9423 56.6373 42.2560 174.2262 104 C 4.5957 8.6321 127.6813 55.1469 44.7031 173.4688 105 T 4.2674 8.2983 117.0039 60.9223 69.1655 175.4194 106 A 3.9504 8.3145 124.2726 54.4780 18.4730 178.1952 107 E 4.2374 8.0649 113.7120 55.8815 29.9657 176.6525 108 G 3.7379 7.8920 106.8812 46.3359 0.0000 173.0666 109 L 4.6612 7.0054 118.2451 51.7953 43.7307 176.3810 110 W 4.6363 8.3461 122.5989 56.3103 29.8806 175.8338 111 L 4.1411 9.2933 125.2978 56.2671 42.3583 175.9533 112 Q 5.2227 8.6878 124.2501 54.1523 31.5629 175.3183 113 K 4.3853 8.9995 122.0161 55.8475 33.3498 176.7596 114 D 4.4264 8.9195 126.4579 56.8224 40.7814 175.0495 *115 N 4.4993 8.3718 120.6474 53.0303 36.3791 176.3526 116 S 4.4187 7.6470 112.8855 58.3388 63.9064 174.3948 117 S 4.4787 8.3318 113.2411 58.7310 62.7051 173.8751 118 L 4.4182 7.8890 120.8973 54.5910 42.6106 174.6161 119 P 4.9736 0.0000 0.0000 61.9636 32.4214 175.8348 120 W 4.3274 9.1493 133.5478 58.1289 31.1324 175.3248 121 R 4.0198 7.4463 123.8131 54.3052 34.3366 173.8696 122 D 4.5375 8.2456 121.6407 52.5616 43.2720 176.1070 123 L 4.7504 8.2676 125.0554 54.4617 42.4279 178.6926 124 S 4.2540 8.9067 117.4230 61.3970 62.9942 176.0971 125 E 4.2006 8.3222 118.4277 58.1115 29.3334 177.7533 126 C 4.9931 8.0878 115.2101 56.4704 41.0367 174.0367 127 E 4.2740 7.7530 119.9889 55.8855 29.6776 176.6556 128 E 3.0329 7.6860 120.5061 56.1680 29.4480 176.6358 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 29 T 8.17 4.27 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 1.26 0.00 0.00 30 V 8.22 3.84 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 0.81 0.00 0.00 1.01 0.00 0.00 31 S 8.99 4.58 0.00 4.22 4.05 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 0.00 0.00 0.00 32 L 8.49 3.95 0.00 1.84 1.81 0.94 0.92 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 33 W 8.27 4.50 0.00 3.44 3.13 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 34 E 8.28 3.85 0.00 2.19 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 0.00 2.49 2.36 0.00 35 T 7.89 3.88 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 1.26 0.00 0.00 36 V 8.09 3.57 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 1.19 0.00 0.00 1.00 0.00 0.00 37 Q 7.45 3.66 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 38 K 7.98 4.07 0.00 1.99 1.90 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.65 7.81 39 W 8.27 3.19 0.00 2.64 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 40 R 8.25 3.35 0.00 1.90 1.86 0.00 3.33 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 41 E 7.92 3.82 0.00 2.16 2.30 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 2.49 2.75 0.00 42 Y 7.81 3.78 0.00 2.15 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 2.76 0.00 0.67 1.21 0.00 3.02 0.00 0.00 2.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 0.00 44 R 7.72 3.63 0.00 1.84 1.92 0.00 3.09 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 45 Q 8.06 3.88 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 46 C 7.76 3.96 0.00 2.48 2.58 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 0.00 0.00 0.00 0.00 47 Q 7.93 3.84 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 48 R 7.82 3.82 0.00 1.82 2.00 0.00 3.05 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 49 S 7.87 4.07 0.00 4.03 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 50 L 8.18 4.00 0.00 1.71 1.78 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.72 4.08 4.34 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 1.20 0.00 0.00 52 E 8.18 4.37 0.00 1.97 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 2.25 2.47 0.00 53 D 7.71 4.50 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.01 1.96 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 55 P 0.00 4.44 0.00 1.98 1.95 0.00 3.64 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 2.00 2.05 0.00 56 P 0.00 4.16 0.00 1.72 2.05 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 57 A 7.65 3.90 1.05 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 0.00 0.00 0.00 0.00 0.00 58 T 6.57 4.66 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 1.56 0.00 0.00 59 D 8.58 4.64 0.00 2.71 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 60 L 7.81 4.15 0.00 1.69 1.73 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.99 4.15 0.00 2.98 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 62 C 8.49 4.29 0.00 1.57 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 63 N 8.47 5.30 0.00 2.74 2.90 0.00 0.00 6.95 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 64 R 8.97 4.67 0.00 2.07 2.28 0.00 3.25 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 65 T 9.01 4.57 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 1.26 0.00 0.00 66 F 9.14 5.53 0.00 3.00 3.01 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 67 D 8.36 4.72 0.00 2.75 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 68 E 6.53 3.65 0.00 2.04 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 2.10 2.20 0.00 69 Y 8.13 4.75 0.00 2.84 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 70 A 8.57 4.60 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.90 4.90 0.00 2.86 2.86 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 72 W 9.24 4.97 0.00 3.39 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 73 P 0.00 4.95 0.00 2.26 2.20 0.00 4.18 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 2.24 2.14 0.00 74 D 9.00 5.01 0.00 2.80 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 75 G 8.72 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 0.00 0.00 0.00 0.00 76 E 8.39 3.11 0.00 1.67 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 77 P 0.00 3.94 0.00 1.89 1.98 0.00 3.22 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 78 G 8.26 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 0.00 0.00 0.00 79 S 6.64 4.80 0.00 3.97 3.82 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 80 F 9.04 5.00 0.00 3.29 3.45 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 0.00 0.00 0.00 0.00 81 V 9.39 4.89 2.61 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 1.48 0.00 0.00 1.24 0.00 0.00 82 N 9.23 5.94 0.00 2.57 3.08 0.00 0.00 5.95 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 83 V 8.39 4.56 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 -0.11 0.00 0.00 0.67 0.00 0.00 84 S 8.71 4.44 0.00 3.75 3.79 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 0.00 0.00 0.00 85 C 8.25 3.95 0.00 2.78 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 86 P 0.00 3.93 0.00 0.49 0.49 0.00 3.05 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.22 0.00 87 W 8.31 4.31 0.00 3.41 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 88 Y 6.41 4.28 0.00 2.97 2.58 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 0.00 0.00 0.00 0.00 89 L 6.59 3.46 0.00 1.01 0.13 0.67 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.19 0.00 2.23 2.20 0.00 2.52 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 91 W 6.88 4.77 0.00 3.49 3.40 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 92 A 7.67 3.87 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 93 S 8.03 4.20 0.00 4.06 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 94 S 8.32 4.47 0.00 4.19 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 95 V 7.64 4.63 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 1.05 0.00 0.00 1.11 0.00 0.00 96 P 0.00 4.34 0.00 2.18 2.20 0.00 3.82 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 2.01 2.01 0.00 97 Q 7.99 4.58 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 98 G 7.86 4.03 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 0.00 0.00 0.00 99 H 9.25 5.41 0.00 2.70 2.75 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.55 4.60 2.18 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 0.58 0.00 0.00 1.37 0.00 0.00 101 Y 9.00 5.87 0.00 3.08 3.31 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 0.00 102 R 9.28 5.13 0.00 1.28 1.59 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 103 F 9.19 5.02 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.63 4.60 0.00 2.42 2.68 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 0.00 0.00 0.00 0.00 105 T 8.30 4.27 4.34 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 1.34 0.00 0.00 106 A 8.31 3.95 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 0.00 107 E 8.06 4.24 0.00 1.89 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 2.24 2.32 0.00 108 G 7.89 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 0.00 109 L 7.01 4.66 0.00 1.65 1.55 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 W 8.35 4.64 0.00 3.25 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 0.00 111 L 9.29 4.14 0.00 2.10 1.88 0.93 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.69 5.22 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 113 K 9.00 4.39 0.00 1.75 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.53 7.81 114 D 8.92 4.43 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.37 4.50 0.00 2.93 2.77 0.00 0.00 6.74 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 0.00 116 S 7.65 4.42 0.00 4.15 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 0.00 117 S 8.33 4.48 0.00 3.87 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 0.00 118 L 7.89 4.42 0.00 1.67 1.55 0.92 0.80 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 0.00 119 P 0.00 4.97 0.00 1.84 1.94 0.00 3.73 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 1.80 1.77 0.00 120 W 9.15 4.33 0.00 3.33 3.40 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 0.00 121 R 7.45 4.02 0.00 1.37 1.59 0.00 3.30 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.48 0.00 122 D 8.25 4.54 0.00 2.53 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 0.00 123 L 8.27 4.75 0.00 1.69 1.59 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.91 4.25 0.00 4.02 4.16 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 0.00 125 E 8.32 4.20 0.00 2.23 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 0.00 2.45 2.56 0.00 126 C 8.09 4.99 0.00 3.20 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 0.00 127 E 7.75 4.27 0.00 1.98 1.77 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 2.32 2.42 0.00 128 E 7.69 3.03 0.00 1.16 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 1.88 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.