NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9498 8.3393 109.7377 45.5781 0.0000 171.8727 0 S 4.6941 8.1003 112.5372 56.3078 67.1058 171.1147 1 M 5.1357 9.2729 120.3283 53.6997 35.2689 176.5717 2 K 4.9497 9.1259 120.6301 54.5533 37.0396 175.1742 3 K 4.6883 9.2329 125.8627 55.4149 33.7516 175.2694 4 V 4.6134 8.9611 128.7110 61.6298 33.3214 174.1301 5 E 5.2388 9.4217 128.0073 54.4938 32.2512 174.7696 6 A 4.9373 9.1261 126.6604 50.0540 22.2700 174.7356 7 I 4.8710 8.5114 124.3550 59.7422 39.0902 175.0079 8 I 5.0553 8.5978 120.3797 58.5106 41.9127 174.9805 9 R 4.2532 8.3651 120.9410 55.4410 30.5874 176.3573 10 P 4.2373 0.0000 0.0000 65.6512 31.4632 177.8817 11 E 4.2204 8.1015 113.3688 57.5564 30.0603 177.6796 12 K 4.3640 8.0070 119.1829 56.3803 32.4562 177.7843 13 L 3.9261 7.6093 122.0657 58.3009 42.0731 178.6584 14 E 3.9480 8.0929 117.8863 59.4275 29.3921 179.1029 15 I 3.6908 7.6514 118.1576 63.9671 38.0930 177.8390 16 V 3.5580 7.7922 119.1692 65.9445 31.3272 177.8865 17 K 3.9273 8.3723 119.6869 59.2704 31.9832 178.7242 18 K 3.9014 8.2058 119.6448 59.4505 32.2000 178.5465 19 A 4.0201 8.2501 121.3589 55.2907 18.2215 179.6136 20 L 4.0886 8.2971 117.7275 58.0546 41.7116 179.7053 21 S 4.1915 8.3140 113.1385 61.5925 62.1140 175.9581 22 D 4.3978 8.4418 120.7589 56.8768 40.6117 177.6611 23 A 4.3535 7.5592 118.3216 52.0631 18.9043 177.9727 24 G 3.5941 7.9008 106.3310 45.2932 0.0000 174.1690 25 Y 4.5037 7.4486 118.1846 56.7101 36.7893 175.2575 26 V 4.0381 8.1157 117.7161 61.5956 33.1514 176.8207 27 G 3.9285 8.2517 107.9735 44.0729 0.0000 172.4080 28 M 5.0910 8.1896 122.2397 53.4070 34.9072 174.5090 29 T 4.7091 8.9188 116.8357 61.8007 71.7509 173.3247 30 V 5.0499 8.4374 125.0727 61.1122 34.3330 174.6226 31 S 4.8109 9.0933 121.2379 56.5833 66.9066 172.5829 32 E 4.7013 8.7493 121.1464 55.8992 30.3353 175.8863 33 V 4.6613 8.6799 117.1686 59.4868 36.5519 174.2821 34 K 5.0527 8.6656 119.4814 54.8764 35.1990 176.4835 35 G 4.1703 9.0143 110.5097 44.3330 0.0000 172.6419 36 R 4.4084 8.7349 121.6353 54.9856 28.4023 178.2208 37 G 4.1780 8.5027 127.0700 45.9489 0.0000 172.9414 38 V 4.3011 8.2310 126.3433 59.9771 34.8008 173.7253 39 Q 3.8051 8.4603 118.7267 57.1810 26.1466 170.8551 *54 D 4.3648 7.7532 119.4709 53.7829 41.5557 174.3832 55 L 4.8984 8.3570 126.7034 53.3418 43.5125 176.1125 56 I 4.5868 8.5190 116.2484 58.1176 40.5713 173.1634 57 P 4.7139 0.0000 0.0000 63.7281 31.8934 175.5006 58 K 4.7559 9.2880 122.2597 54.9006 37.5260 174.9259 59 V 4.8088 8.6610 120.7652 61.1015 34.3726 173.9411 60 K 4.9137 9.1429 129.5111 55.0211 34.0765 174.6637 61 I 4.8886 8.8034 128.9713 59.6500 39.7025 174.4179 62 E 5.1503 9.3050 126.4735 54.4149 32.7859 174.7529 63 L 4.8787 9.0837 126.4223 53.2687 45.4463 174.9756 64 V 4.7163 8.5231 126.5144 61.8038 32.6612 175.0725 65 V 4.7078 8.7218 120.4786 58.9190 36.5242 175.3828 66 K 4.4209 8.5911 120.9650 56.4313 32.8401 177.7847 67 E 3.9023 9.1264 124.2719 59.7709 29.2279 179.4559 68 E 4.0960 8.2071 115.3051 58.7448 29.9384 177.6042 69 D 4.7492 8.1263 118.7634 54.4545 41.2477 178.3996 70 V 3.4961 7.6220 120.3396 66.0961 31.5622 177.4487 71 D 4.3174 8.0501 118.1035 57.3771 40.6633 178.2141 72 N 4.2874 8.0676 116.9356 56.6957 39.1059 176.8809 73 V 3.3329 7.7039 119.5956 65.9692 31.4793 178.0204 74 I 3.6557 7.9137 119.7253 64.3262 36.8464 178.0485 75 D 4.3284 8.1766 119.6659 57.5439 40.8511 178.8796 76 I 3.6935 7.8360 120.1128 64.4897 37.0366 178.6216 77 I 3.6798 7.7470 120.3782 64.5320 37.0789 178.2126 78 C 4.0474 8.1573 117.6103 62.9056 27.7788 175.8324 79 E 3.9290 8.1423 119.4696 59.1446 29.3255 177.9378 80 N 4.6069 7.9679 113.5135 54.2284 39.1455 176.3098 81 A 4.4199 8.0082 121.1914 51.8672 20.0329 177.6881 82 R 4.3261 7.1955 113.6470 56.3436 30.1841 176.6335 83 T 4.4170 10.4112 108.9884 60.7430 70.3047 175.2211 84 G 3.9547 8.8097 109.7408 45.0332 0.0000 172.9020 85 N 4.7882 8.0278 117.0856 51.6488 40.1271 172.5676 86 P 3.9874 0.0000 0.0000 62.8398 31.2642 176.0823 87 G 4.0245 9.1057 111.7374 45.4971 0.0000 174.6660 88 D 4.0346 7.3204 121.2952 55.4885 40.9746 174.9431 89 G 4.1865 6.9377 100.8286 44.5695 0.0000 172.6478 90 K 4.5879 8.1823 115.7201 54.6475 36.7013 175.6582 91 I 4.6167 7.9881 122.6753 59.4330 40.0546 174.9449 92 F 5.1799 9.0559 124.5166 55.6672 42.5620 174.1795 93 V 4.8972 8.5922 122.0484 61.2494 33.5371 174.6236 94 I 4.7573 8.7443 128.9194 58.4194 40.4255 173.3460 95 P 4.6003 0.0000 0.0000 62.9952 32.0180 175.6358 96 V 4.3670 8.0917 122.2884 61.4443 32.6942 175.3023 97 E 4.2949 9.0249 127.2531 57.9436 30.1731 176.5080 98 R 4.6232 7.4368 116.5758 54.8347 33.2191 173.7028 99 V 4.5136 8.2762 123.0475 61.0970 34.8790 174.0530 100 V 4.8160 8.3488 126.6359 61.0374 34.5843 174.3995 101 R 4.2035 8.8091 128.7746 55.5330 30.4998 176.9624 102 V 3.5810 8.7440 126.9516 66.1555 31.8381 177.0695 103 R 4.0392 8.1731 118.3103 58.9122 29.9803 176.8719 104 T 4.3374 7.7521 104.0781 60.4075 69.9313 174.5546 105 K 3.8837 8.3358 119.9368 57.0634 30.6898 175.4171 106 E 4.1728 7.6510 118.8481 56.7717 29.8689 175.7182 107 E 5.4389 7.3490 118.5072 54.3510 34.7266 177.3507 108 G 3.7947 8.5481 106.9918 46.3154 0.0000 175.9743 109 K 4.0100 8.6133 118.1346 60.1472 32.0859 178.9823 110 E 3.9584 8.2859 119.0616 59.3439 29.1647 179.0324 111 A 3.8498 7.7140 119.3887 54.8652 18.5032 179.3304 112 L 4.2427 7.4651 116.9878 55.9886 41.8124 177.3369 113 L 3.8071 6.9084 120.8364 55.3855 42.1172 176.7991 114 E 4.3216 8.4810 126.7069 55.4706 28.4929 176.3056 115 H 4.4173 8.4123 119.5338 55.8653 28.8665 175.7385 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 G 8.34 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 0 S 8.10 4.69 0.00 3.94 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 1 M 9.27 5.14 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 2 K 9.13 4.95 0.00 1.56 1.63 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 K 9.23 4.69 0.00 1.79 1.69 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.39 7.81 4 V 8.96 4.61 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 0.90 0.00 0.00 0.87 0.00 0.00 5 E 9.42 5.24 0.00 2.05 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 2.27 2.30 0.00 6 A 9.13 4.94 1.11 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 7 I 8.51 4.87 1.80 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.24 0.91 0.00 0.00 8 I 8.60 5.06 1.84 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 1.36 0.69 0.86 0.00 0.00 9 R 8.37 4.25 0.00 1.88 2.17 0.00 3.13 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 10 P 0.00 4.24 0.00 2.17 2.11 0.00 3.59 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 2.08 0.00 11 E 8.10 4.22 0.00 2.07 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 0.00 2.27 2.27 0.00 12 K 8.01 4.36 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.38 1.74 7.81 13 L 7.61 3.93 0.00 1.72 1.77 0.92 1.40 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 E 8.09 3.95 0.00 2.02 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 2.40 2.31 0.00 15 I 7.65 3.69 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 1.52 1.50 1.02 0.00 0.00 16 V 7.79 3.56 2.28 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 1.02 0.00 0.00 0.93 0.00 0.00 17 K 8.37 3.93 0.00 1.91 2.08 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 K 8.21 3.90 0.00 2.02 1.95 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 19 A 8.25 4.02 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 8.30 4.09 0.00 1.93 2.01 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.31 4.19 0.00 3.98 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 22 D 8.44 4.40 0.00 2.86 2.72 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 23 A 7.56 4.35 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 24 G 7.90 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.45 4.50 0.00 3.12 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 26 V 8.12 4.04 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 0.70 0.00 0.00 0.93 0.00 0.00 27 G 8.25 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 0.00 0.00 0.00 28 M 8.19 5.09 0.00 1.98 1.99 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 2.46 2.57 0.00 29 T 8.92 4.71 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 1.22 0.00 0.00 30 V 8.44 5.05 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 9.09 4.81 0.00 3.87 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 32 E 8.75 4.70 0.00 1.86 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 2.28 2.40 0.00 33 V 8.68 4.66 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 0.79 0.00 0.00 0.95 0.00 0.00 34 K 8.67 5.05 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 G 9.01 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 36 R 8.73 4.41 0.00 1.72 1.93 0.00 3.21 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 37 G 8.50 4.18 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 0.00 38 V 8.23 4.30 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 0.78 0.00 0.00 0.93 0.00 0.00 39 Q 8.46 3.81 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.59 0.00 0.00 0.00 0.00 0.00 2.16 1.90 0.00 *54 D 7.75 4.36 0.00 2.66 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 55 L 8.36 4.90 0.00 1.57 1.57 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.52 4.59 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 1.29 1.08 0.91 0.00 0.00 57 P 0.00 4.71 0.00 1.95 2.06 0.00 3.62 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 2.03 2.14 0.00 58 K 9.29 4.76 0.00 1.63 1.81 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.45 7.81 59 V 8.66 4.81 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 1.03 0.00 0.00 0.93 0.00 0.00 60 K 9.14 4.91 0.00 1.85 1.66 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 I 8.80 4.89 1.84 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 1.22 0.49 0.90 0.00 0.00 62 E 9.31 5.15 0.00 1.85 1.82 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 2.23 2.22 0.00 63 L 9.08 4.88 0.00 1.65 1.40 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.52 4.72 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 0.86 0.00 0.00 0.94 0.00 0.00 65 V 8.72 4.71 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 0.55 0.00 0.00 0.91 0.00 0.00 66 K 8.59 4.42 0.00 2.02 1.76 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.46 7.81 67 E 9.13 3.90 0.00 2.15 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 2.32 2.50 0.00 68 E 8.21 4.10 0.00 2.18 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 2.31 2.44 0.00 69 D 8.13 4.75 0.00 2.90 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 70 V 7.62 3.50 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 1.09 0.00 0.00 0.93 0.00 0.00 71 D 8.05 4.32 0.00 2.72 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 72 N 8.07 4.29 0.00 2.88 3.04 0.00 0.00 6.81 7.71 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 73 V 7.70 3.33 1.96 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 0.74 0.00 0.00 0.10 0.00 0.00 74 I 7.91 3.66 1.97 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 1.46 0.51 0.87 0.00 0.00 75 D 8.18 4.33 0.00 2.88 2.72 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 76 I 7.84 3.69 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 1.00 0.00 0.00 77 I 7.75 3.68 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.86 0.00 0.00 78 C 8.16 4.05 0.00 3.13 2.96 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 79 E 8.14 3.93 0.00 1.95 2.20 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 2.32 2.35 0.00 80 N 7.97 4.61 0.00 2.83 2.85 0.00 0.00 6.96 6.69 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 81 A 8.01 4.42 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 82 R 7.20 4.33 0.00 1.95 2.01 0.00 3.08 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.55 0.00 83 T 10.41 4.42 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 84 G 8.81 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 85 N 8.03 4.79 0.00 2.81 2.72 0.00 0.00 6.91 9.28 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 86 P 0.00 3.99 0.00 2.06 1.93 0.00 3.64 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 2.02 2.14 0.00 87 G 9.11 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 0.00 0.00 0.00 88 D 7.32 4.03 0.00 2.79 2.72 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 89 G 6.94 4.19 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 0.00 90 K 8.18 4.59 0.00 1.46 1.03 0.00 1.47 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.44 7.81 91 I 7.99 4.62 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.87 0.00 0.00 92 F 9.06 5.18 0.00 2.90 2.78 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 93 V 8.59 4.90 2.11 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 0.82 0.00 0.00 0.94 0.00 0.00 94 I 8.74 4.76 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 1.29 0.57 0.91 0.00 0.00 95 P 0.00 4.60 0.00 2.07 2.06 0.00 3.71 0.00 0.00 3.58 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 96 V 8.09 4.37 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 0.86 0.00 0.00 0.94 0.00 0.00 97 E 9.02 4.29 0.00 2.00 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 2.28 2.29 0.00 98 R 7.44 4.62 0.00 1.72 1.74 0.00 3.18 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 1.52 1.61 0.00 99 V 8.28 4.51 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 0.94 0.00 0.00 0.94 0.00 0.00 100 V 8.35 4.82 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 0.85 0.00 0.00 0.94 0.00 0.00 101 R 8.81 4.20 0.00 2.00 1.80 0.00 3.41 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 102 V 8.74 3.58 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 0.82 0.00 0.00 0.94 0.00 0.00 103 R 8.17 4.04 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.75 4.34 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 1.21 0.00 0.00 105 K 8.34 3.88 0.00 1.93 1.94 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.54 7.81 106 E 7.65 4.17 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 107 E 7.35 5.44 0.00 1.89 1.81 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 2.21 2.33 0.00 108 G 8.55 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 0.00 0.00 0.00 109 K 8.61 4.01 0.00 2.00 2.10 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 110 E 8.29 3.96 0.00 2.19 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 0.00 2.42 2.40 0.00 111 A 7.71 3.85 1.41 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 0.00 0.00 112 L 7.47 4.24 0.00 1.78 1.76 0.95 0.99 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 0.00 113 L 6.91 3.81 0.00 1.39 1.45 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.48 4.32 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 115 H 8.41 4.42 0.00 3.13 3.22 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.