NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4593 8.3049 120.3510 55.1682 33.3813 174.5127 2 K 4.5456 8.5818 124.8848 52.6433 35.5379 173.8402 3 S 4.9428 9.2644 118.0918 56.7600 66.9855 172.7313 4 R 5.2929 8.5663 119.9918 54.8539 34.4818 174.1293 5 I 4.7750 8.6145 114.6003 59.4359 40.4876 174.4849 6 I 5.3111 8.5068 123.6906 59.7747 40.6773 175.2303 7 V 4.5085 8.6869 118.1202 59.6443 35.4678 174.6860 8 R 5.3153 8.6488 123.1732 54.9071 32.7699 174.9208 9 T 4.8362 9.0882 116.8280 61.1509 71.6899 171.9137 10 S 5.1546 8.5119 117.6549 56.9440 65.8233 172.5814 11 F 5.0549 8.3700 117.8393 56.0281 41.3387 172.5272 12 D 5.5958 9.4605 120.2485 53.2157 43.7605 175.2573 13 A 4.8868 8.8859 121.1926 51.4097 23.4821 174.9938 14 A 5.7884 8.7808 120.7459 50.0605 22.2923 175.8455 15 H 4.9636 8.4115 111.6098 55.1598 29.6152 172.5693 *26 V 3.9070 7.6572 115.9552 62.4911 33.3219 174.6069 27 H 4.7483 8.2096 120.5340 54.8095 33.0348 173.0797 28 G 3.9932 8.3772 112.0829 47.1969 0.0000 172.4889 29 H 4.8963 8.8169 117.8516 54.7752 34.1750 172.6733 30 T 4.5563 8.3752 119.6271 62.1598 70.4211 173.4401 31 F 5.0286 8.5331 125.8651 55.7178 41.5151 174.7942 32 F 5.1785 9.1881 121.9147 55.6745 41.4663 174.0388 33 L 5.3841 9.4179 126.6104 53.2888 44.7406 174.5529 34 E 5.2228 9.2400 126.1739 54.4402 33.0283 174.3676 35 V 5.0086 8.9127 125.8787 61.0217 35.0345 173.7143 36 A 5.2708 9.1618 129.4271 50.2862 21.7398 174.7294 37 I 4.8401 8.6777 123.8422 59.6337 39.8903 174.6345 38 E 5.0690 8.9912 128.4524 54.6427 32.0043 174.9487 39 G 4.2676 7.8020 111.2264 46.2347 0.0000 171.9761 40 E 4.2714 8.7666 120.7972 55.3025 30.2692 176.1803 41 I 4.1199 8.2518 126.6966 61.0012 36.9462 175.3162 42 K 4.4263 8.8556 126.1988 55.4757 34.1460 176.6422 43 N 4.0478 9.6880 120.6902 54.3967 37.1191 174.7615 44 G 3.8998 8.8632 103.2928 44.9360 0.0000 173.3237 45 Y 4.6731 7.8597 116.4961 56.1631 41.6998 176.2216 46 V 4.0743 8.1307 121.2807 64.2011 32.7480 176.0867 47 M 4.2264 7.2251 115.3974 53.5507 34.8073 174.1860 48 D 4.4179 8.0094 124.6427 53.8888 43.0909 176.4939 49 F 4.5234 8.6391 126.3057 61.3305 39.0136 177.8378 50 L 4.2984 8.1532 118.7801 57.8340 41.9462 178.6222 51 E 3.9182 7.7279 118.1141 59.1185 29.5493 178.4867 52 L 3.9691 7.8954 120.1543 58.2059 42.1234 178.8037 53 R 3.9219 8.6967 119.0078 59.3351 29.9394 178.6435 54 K 3.9742 8.4730 118.6801 59.4975 31.6097 179.3422 55 I 3.6589 7.6550 119.8246 64.3508 36.9656 178.7356 56 V 3.4386 8.0391 119.2240 66.1916 31.4140 178.0225 57 E 4.5812 8.4182 119.7066 58.6999 29.0705 178.9518 58 E 4.0573 8.0789 117.6741 58.4577 29.7935 178.7925 59 I 4.0283 7.1045 120.2202 64.0630 37.6112 178.2493 60 T 3.6844 8.0837 110.8916 64.2740 68.3134 176.5285 61 K 4.0673 8.0041 120.8001 59.4649 32.5913 178.6233 62 E 4.1043 7.9551 118.7118 58.3549 29.6883 177.9334 63 L 4.4756 7.3967 117.5804 54.0347 42.8113 175.7869 64 D 4.8782 7.2520 118.8189 56.2148 41.2544 175.7208 65 H 4.2143 10.1402 123.6904 56.2845 26.9871 174.7218 66 R 4.5162 7.9100 118.8353 54.3601 32.5494 174.9766 67 N 4.9627 8.2999 117.9314 52.1380 38.7239 175.5639 68 L 4.1276 9.1076 128.0705 57.7931 41.8838 179.2480 69 N 4.6224 8.2832 114.2590 54.7924 38.5329 175.3244 70 N 4.7030 8.1185 114.7719 53.5263 39.6465 175.7754 71 I 3.9196 7.5067 117.5378 61.6439 38.6832 175.7717 72 F 4.8298 7.9258 117.6953 55.2284 41.0274 175.5798 73 E 4.0600 8.8827 124.9821 58.9730 29.6723 176.4545 74 N 4.8544 7.7545 116.8972 51.4188 39.8638 173.2507 75 P 4.3134 0.0000 0.0000 61.9521 30.5083 177.7691 76 T 4.2084 7.3870 109.0967 62.5605 71.3578 174.6400 77 T 3.8830 8.4128 118.6617 66.7666 68.3846 176.7233 78 E 3.9172 8.0596 120.0037 59.5698 29.5111 179.0287 79 N 4.3262 8.1301 116.3623 56.3122 38.4883 177.5798 80 I 3.1721 7.5660 120.9897 63.9742 37.0244 178.2431 81 A 4.0669 8.3097 121.9332 55.2240 18.2595 179.4346 82 L 4.0947 8.2335 117.7271 57.8637 41.7328 179.4198 83 W 4.3219 8.6148 128.2968 60.8798 30.7102 177.7757 84 I 3.4348 8.4831 119.8561 64.4334 36.5766 178.5853 85 G 3.6909 8.5238 106.6428 47.9231 0.0000 175.6352 86 E 3.8567 8.2094 120.9307 59.0544 29.2614 179.5345 87 R 3.6379 7.4027 117.2397 59.0888 30.2396 178.9563 88 I 3.7207 7.5173 119.4268 64.4625 37.2413 178.4619 89 R 3.7056 7.6360 118.8753 59.4764 29.6690 178.3490 90 D 4.4308 7.7743 115.5670 55.7407 41.3031 176.5754 91 K 4.4720 7.5892 116.1870 56.0195 33.3510 176.2693 92 L 4.1989 7.2077 118.8877 53.4564 42.5556 175.3008 93 P 4.4485 0.0000 0.0000 61.9617 32.0412 175.6061 94 P 4.1871 0.0000 0.0000 65.6569 31.2231 177.2798 95 Y 4.6784 7.8763 113.8523 57.6769 38.4029 175.1435 96 V 4.9349 7.2543 110.5366 60.1115 36.5553 174.8202 97 K 4.5766 8.7993 119.3971 55.2518 36.2719 175.2589 98 L 4.1530 8.2840 124.4883 55.4511 41.9424 175.9244 99 K 4.5498 9.4062 128.8227 58.3039 33.8897 176.1100 100 R 5.4198 7.8545 117.8873 55.1644 34.1438 173.8074 101 V 4.9494 9.0847 123.6628 61.3529 35.4131 174.0945 102 V 4.6955 9.0313 127.3582 61.1705 34.4329 173.7767 103 L 5.1463 8.6999 131.5693 53.3342 44.0366 174.8892 104 W 5.0271 9.5558 127.6974 55.5830 31.0018 175.7362 105 E 4.1851 9.5374 128.0608 54.3438 27.8146 175.9412 106 G 3.9685 8.7393 111.8159 44.1693 0.0000 170.9710 107 K 3.8001 8.2696 115.9864 57.3029 32.2769 177.5565 108 D 4.9073 7.9992 116.6311 53.9719 42.5965 175.6439 109 N 5.2516 8.1815 116.8224 51.5421 42.5477 173.6201 110 G 3.8187 8.4135 108.5793 45.1311 0.0000 171.8306 111 V 4.3723 8.4485 120.1644 60.6296 34.3474 173.7694 112 E 4.9033 8.5777 127.8548 54.3122 31.8281 174.5658 113 L 4.4441 9.0234 127.2350 52.6707 44.4689 175.0407 114 E 4.9018 8.1711 124.0545 54.0137 32.4283 175.3768 115 W 4.4388 9.2046 125.9658 56.8001 29.0457 175.8978 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 8.30 4.46 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 K 8.58 4.55 0.00 1.84 1.69 0.00 1.77 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.51 7.81 3 S 9.26 4.94 0.00 3.86 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 4 R 8.57 5.29 0.00 1.71 1.96 0.00 3.21 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 5 I 8.61 4.77 2.25 0.00 0.00 1.00 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 1.07 0.92 0.00 0.00 6 I 8.51 5.31 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 1.04 0.00 0.00 7 V 8.69 4.51 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 0.93 0.00 0.00 1.00 0.00 0.00 8 R 8.65 5.32 0.00 1.69 1.89 0.00 3.20 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 9 T 9.09 4.84 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 1.37 0.00 0.00 10 S 8.51 5.15 0.00 3.81 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.37 5.05 0.00 3.36 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 12 D 9.46 5.60 0.00 2.79 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 13 A 8.89 4.89 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 14 A 8.78 5.79 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 15 H 8.41 4.96 0.00 3.28 3.50 0.00 5.51 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 V 7.66 3.91 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 0.85 0.00 0.00 0.95 0.00 0.00 27 H 8.21 4.75 0.00 3.15 3.01 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.38 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 29 H 8.82 4.90 0.00 3.21 2.52 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.38 4.56 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 0.60 0.00 0.00 31 F 8.53 5.03 0.00 1.52 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 0.00 0.00 0.00 0.00 32 F 9.19 5.18 0.00 3.18 3.04 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 33 L 9.42 5.38 0.00 1.97 1.72 1.09 0.80 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 34 E 9.24 5.22 0.00 2.26 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 2.30 2.32 0.00 35 V 8.91 5.01 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 0.95 0.00 0.00 1.02 0.00 0.00 36 A 9.16 5.27 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 37 I 8.68 4.84 1.93 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 1.17 1.31 0.98 0.00 0.00 38 E 8.99 5.07 0.00 2.08 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 2.26 2.48 0.00 39 G 7.80 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 0.00 0.00 0.00 0.00 40 E 8.77 4.27 0.00 1.95 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 2.29 2.40 0.00 41 I 8.25 4.12 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 1.40 0.65 0.88 0.00 0.00 42 K 8.86 4.43 0.00 1.73 1.65 0.00 1.68 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.50 7.81 43 N 9.69 4.05 0.00 2.85 2.99 0.00 0.00 7.37 7.98 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 44 G 8.86 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 45 Y 7.86 4.67 0.00 2.94 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 46 V 8.13 4.07 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 0.81 0.00 0.00 0.94 0.00 0.00 47 M 7.23 4.23 0.00 2.00 1.90 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 2.34 2.35 0.00 48 D 8.01 4.42 0.00 2.72 2.49 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 0.00 0.00 0.00 49 F 8.64 4.52 0.00 3.17 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 50 L 8.15 4.30 0.00 1.84 1.73 0.97 0.86 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 51 E 7.73 3.92 0.00 2.07 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 2.31 0.00 52 L 7.90 3.97 0.00 1.91 1.94 0.95 0.84 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 53 R 8.70 3.92 0.00 1.99 2.12 0.00 3.19 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 54 K 8.47 3.97 0.00 2.12 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.58 7.81 55 I 7.65 3.66 2.03 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 1.39 1.04 0.86 0.00 0.00 56 V 8.04 3.44 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 1.17 0.00 0.00 0.98 0.00 0.00 57 E 8.42 4.58 0.00 2.06 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 2.38 2.58 0.00 58 E 8.08 4.06 0.00 2.10 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 2.34 2.34 0.00 59 I 7.10 4.03 1.97 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.02 0.58 0.00 0.00 60 T 8.08 3.68 4.06 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 1.30 0.00 0.00 61 K 8.00 4.07 0.00 1.93 2.08 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.27 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.48 7.81 62 E 7.96 4.10 0.00 2.33 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 2.38 2.39 0.00 63 L 7.40 4.48 0.00 1.09 1.48 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.25 4.88 0.00 2.81 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 65 H 10.14 4.21 0.00 3.22 3.53 0.00 5.87 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.91 4.52 0.00 1.91 1.80 0.00 3.26 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 67 N 8.30 4.96 0.00 2.74 2.73 0.00 0.00 6.87 6.66 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 68 L 9.11 4.13 0.00 1.88 1.87 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.28 4.62 0.00 2.97 2.90 0.00 0.00 6.94 7.99 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 70 N 8.12 4.70 0.00 2.83 2.81 0.00 0.00 6.84 7.02 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 71 I 7.51 3.92 1.36 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.38 -0.18 0.00 0.00 72 F 7.93 4.83 0.00 3.04 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 73 E 8.88 4.06 0.00 1.94 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 2.31 2.38 0.00 74 N 7.75 4.85 0.00 2.67 2.68 0.00 0.00 6.98 7.69 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 75 P 0.00 4.31 0.00 2.24 2.37 0.00 3.87 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 76 T 7.39 4.21 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 77 T 8.41 3.88 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 1.30 0.00 0.00 78 E 8.06 3.92 0.00 2.02 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 0.00 2.36 2.41 0.00 79 N 8.13 4.33 0.00 2.61 2.70 0.00 0.00 7.10 6.63 0.00 0.00 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 I 7.57 3.17 1.80 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.07 0.82 0.00 0.00 81 A 8.31 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 4.09 0.00 1.98 1.89 0.96 0.91 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 83 W 8.61 4.32 0.00 3.72 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 84 I 8.48 3.43 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.35 0.94 0.00 0.00 85 G 8.52 3.69 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 0.00 0.00 0.00 86 E 8.21 3.86 0.00 2.02 1.90 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 2.53 2.52 0.00 87 R 7.40 3.64 0.00 1.33 1.55 0.00 2.97 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 88 I 7.52 3.72 1.85 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 1.43 0.61 0.82 0.00 0.00 89 R 7.64 3.71 0.00 1.87 1.80 0.00 2.93 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 0.00 90 D 7.77 4.43 0.00 2.74 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 91 K 7.59 4.47 0.00 1.66 1.72 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.43 7.81 92 L 7.21 4.20 0.00 1.68 1.54 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.45 0.00 2.21 2.01 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 94 P 0.00 4.19 0.00 1.94 1.86 0.00 3.73 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 2.06 2.07 0.00 95 Y 7.88 4.68 0.00 2.91 2.98 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 96 V 7.25 4.93 2.17 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 0.74 0.00 0.00 1.01 0.00 0.00 97 K 8.80 4.58 0.00 1.72 1.81 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 98 L 8.28 4.15 0.00 1.37 1.10 0.94 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.41 4.55 0.00 1.97 2.04 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.52 7.81 100 R 7.85 5.42 0.00 1.98 1.79 0.00 3.20 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 101 V 9.08 4.95 2.34 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 0.86 0.00 0.00 1.22 0.00 0.00 102 V 9.03 4.70 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 0.56 0.00 0.00 0.95 0.00 0.00 103 L 8.70 5.15 0.00 1.87 1.53 1.13 1.12 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 0.00 104 W 9.56 5.03 0.00 3.52 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.54 4.19 0.00 1.93 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 1.65 1.63 0.00 106 G 8.74 3.97 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 0.00 0.00 0.00 107 K 8.27 3.80 0.00 1.56 1.47 0.00 1.53 0.00 0.00 1.37 0.00 0.00 2.59 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.58 1.25 7.81 108 D 8.00 4.91 0.00 2.66 2.71 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 0.00 0.00 0.00 0.00 109 N 8.18 5.25 0.00 2.65 2.69 0.00 0.00 6.79 7.61 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 0.00 110 G 8.41 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 0.00 0.00 0.00 111 V 8.45 4.37 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 0.91 0.00 0.00 0.86 0.00 0.00 112 E 8.58 4.90 0.00 1.78 1.64 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 2.06 2.22 0.00 113 L 9.02 4.44 0.00 1.17 0.55 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.17 4.90 0.00 1.82 1.64 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 2.17 2.44 0.00 115 W 9.20 4.44 0.00 3.49 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 * Residues marked with a * may have inaccurate shift predictions.