NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3665 8.1233 123.5910 52.2598 20.9449 179.1043 5 F 4.3219 8.1074 114.5469 60.2757 38.8264 176.2155 6 K 4.1574 8.4565 118.0664 59.2083 32.3757 178.7267 7 L 4.0168 7.9329 120.3452 58.0325 42.1124 178.6194 8 L 4.1258 8.3344 120.3915 58.3537 42.0506 178.3310 9 Y 4.1311 8.4399 119.5026 60.6689 38.6872 178.0065 10 K 3.9132 8.5030 119.6283 59.9331 32.0711 179.4026 11 T 3.9042 8.0927 115.8306 66.7917 68.1316 176.8167 12 I 3.8448 7.6596 120.8049 64.3383 37.2396 178.0555 13 E 3.9533 8.0765 119.6711 59.3740 29.2358 179.2368 14 E 3.9941 8.4221 118.7445 59.3516 29.2409 179.5426 15 R 4.1100 7.6778 117.5571 58.6918 30.2249 178.5302 16 K 3.8308 7.7112 119.2203 58.6549 32.0993 178.4237 17 G 3.9385 7.8766 104.5203 45.0554 0.0000 173.7488 18 S 4.6691 7.5953 117.5678 55.2141 62.7771 170.8560 19 P 5.0034 0.0000 0.0000 62.0140 32.0984 177.2665 20 L 4.6435 8.2547 121.0368 51.9902 42.9936 174.9249 21 P 4.4968 0.0000 0.0000 65.5255 31.5023 178.1476 22 E 4.1520 8.1676 116.5803 58.6069 29.9935 178.0113 23 S 4.5268 8.5105 114.8431 57.9513 65.3031 174.6820 24 Y 4.3143 8.6237 124.5207 61.2371 38.7126 178.4046 25 T 3.6002 8.0337 116.2850 66.7467 68.7133 176.2335 26 N 4.6014 8.1747 117.8756 56.2721 38.5298 176.8622 27 Y 4.1298 7.9307 121.0599 60.6398 38.7963 178.2275 28 L 3.5819 7.7836 119.8931 57.7572 41.4549 179.5328 29 F 4.4205 7.6024 116.6310 60.5163 38.8593 177.6239 30 S 4.2768 8.1606 113.4843 61.4785 62.9949 176.5027 31 K 3.9965 7.7128 121.0835 57.2554 32.2932 177.8958 32 G 3.7997 8.3489 107.3171 44.4978 0.0000 172.9725 33 E 3.8572 8.8498 117.7754 59.9625 29.3341 179.2007 34 D 4.3431 8.1118 117.9074 57.1455 40.9067 178.7600 35 K 3.9529 7.8844 119.7889 59.4952 32.2344 179.0401 36 I 3.7342 7.6210 119.6214 64.4013 37.1171 178.2494 37 L 4.0328 8.1723 119.9756 57.7445 41.4219 179.7624 38 K 4.0343 7.9697 118.0313 59.3367 31.9010 179.5786 39 K 3.9976 8.0466 118.6997 59.4686 31.9231 179.4535 40 I 3.8310 8.0169 120.2740 64.2813 37.0190 178.7653 41 G 3.5803 8.1842 106.5503 47.6871 0.0000 175.3477 42 E 3.9233 8.2828 121.9937 59.1512 29.6990 178.8066 43 E 3.9843 8.5388 119.0045 59.4563 29.4934 178.9405 44 C 4.0999 8.3654 118.6921 62.3897 31.5944 175.4853 45 A 4.0123 8.0149 122.4174 55.2578 17.8919 179.4883 46 E 3.9039 8.2264 117.0954 59.3863 29.4295 179.8118 47 V 3.5557 7.7361 118.5523 65.8203 31.5987 178.2078 48 I 3.6897 7.6921 119.4992 64.4609 37.1120 178.4211 49 I 3.6834 7.9161 120.4271 64.4248 37.0796 178.4105 50 A 4.0002 8.1915 121.6866 55.2539 18.2162 179.2729 51 C 4.0864 8.2682 117.3047 62.5692 31.4498 175.9409 52 K 4.1193 8.0375 118.8376 58.7429 31.7347 178.2050 53 N 4.5823 7.7727 114.3145 52.7279 38.7772 174.8824 54 N 4.1280 7.6230 116.4958 54.3882 36.8713 174.9017 55 D 4.6147 7.6801 119.1493 52.8536 40.7560 176.2000 56 K 3.9682 8.3062 126.6583 59.2150 32.3037 178.6446 57 E 3.9294 8.1151 118.3542 59.5109 29.3585 178.9541 58 E 3.9375 8.3072 118.8192 59.0544 29.4293 178.9703 59 V 3.5221 7.5766 117.7774 65.8392 31.6435 177.9261 60 V 3.6672 7.4971 116.9246 65.8570 31.7103 177.8552 61 K 4.1152 7.9633 118.1515 59.3696 31.9016 180.2066 62 E 4.0240 8.2236 118.2561 56.6455 29.4951 179.1750 *64 V 3.7657 7.8441 120.9036 62.8765 33.7228 176.8325 65 D 4.4204 7.9952 118.9351 57.2337 40.9975 178.3938 66 V 3.6622 7.8848 118.8173 66.1209 31.5706 178.0326 67 F 4.3823 7.9793 117.0721 60.6641 38.7829 176.8191 68 Y 4.0264 8.5803 119.5623 61.2311 38.6014 178.0351 69 H 3.9831 8.5080 116.9927 58.8080 28.6685 177.6813 70 C 4.2611 8.3472 118.8627 62.8406 27.9786 176.1163 71 F 4.5506 8.4546 119.5676 60.6007 38.4233 177.9096 72 V 3.4951 7.8345 118.0280 65.8135 31.2096 177.8285 73 L 3.9817 8.1991 120.2705 57.9883 41.8533 178.8662 74 L 4.0168 8.2682 118.8614 57.9004 41.7601 179.2357 75 A 4.0382 8.2433 120.5235 55.3608 18.0979 179.2809 76 E 3.9859 8.5828 116.8247 59.0085 29.8432 178.2439 77 K 4.2899 8.1032 115.4327 55.2120 33.0680 176.1215 78 N 4.1506 7.8246 115.4619 54.6001 36.3323 174.6795 79 I 4.3331 8.0347 118.1761 59.0676 39.2662 176.4509 80 A 4.1316 8.3572 128.7374 51.7215 19.3003 177.8597 81 L 3.3349 7.9799 123.4694 57.8371 41.7463 179.3635 82 E 3.8924 7.8399 116.2448 59.3633 29.7840 178.4491 83 D 4.4674 7.7736 119.6619 57.0209 40.6990 178.9911 84 V 3.7425 7.2125 116.1630 63.5522 31.1159 177.7184 *86 R 4.1905 8.1252 118.8309 55.7390 31.9494 177.5369 87 E 3.8775 7.9428 117.5403 59.2049 29.4748 179.0127 88 V 3.5223 7.9814 118.5242 65.8950 31.5483 178.2360 89 K 3.9445 7.8913 117.7749 59.3097 31.9853 178.7466 90 E 3.8863 8.4585 119.9952 59.3665 29.4552 178.8645 91 R 3.8801 8.2788 119.0344 59.2963 29.8522 177.9989 92 N 4.3751 8.0969 116.3636 56.5856 39.0592 176.7560 93 G 3.7559 7.9910 105.9627 47.7680 0.0000 175.2853 94 K 4.0764 7.7551 119.9066 59.2108 32.1876 177.5793 95 L 4.3005 7.5520 122.1170 55.0026 41.7182 176.7814 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 4 A 8.12 4.37 1.19 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 5 F 8.11 4.32 0.00 3.33 3.37 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 6 K 8.46 4.16 0.00 1.89 1.93 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.59 7.81 7 L 7.93 4.02 0.00 1.83 1.73 0.97 0.59 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 8 L 8.33 4.13 0.00 2.10 2.24 1.15 0.86 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 9 Y 8.44 4.13 0.00 2.84 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 10 K 8.50 3.91 0.00 2.06 1.89 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.85 7.81 11 T 8.09 3.90 4.48 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 1.28 0.00 0.00 12 I 7.66 3.84 1.97 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 1.59 0.75 0.94 0.00 0.00 13 E 8.08 3.95 0.00 2.03 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 1.54 2.01 0.00 14 E 8.42 3.99 0.00 2.18 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 2.33 2.54 0.00 15 R 7.68 4.11 0.00 2.08 2.16 0.00 3.41 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 16 K 7.71 3.83 0.00 1.11 1.69 0.00 1.08 0.00 0.00 1.36 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.00 0.24 7.81 17 G 7.88 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 18 S 7.60 4.67 0.00 3.97 3.80 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 0.00 0.00 0.00 19 P 0.00 5.00 0.00 2.21 2.08 0.00 3.33 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 20 L 8.25 4.64 0.00 1.73 1.89 0.96 1.11 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 P 0.00 4.50 0.00 2.07 2.20 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 22 E 8.17 4.15 0.00 1.97 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 2.33 2.38 0.00 23 S 8.51 4.53 0.00 4.09 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 24 Y 8.62 4.31 0.00 3.04 3.07 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 25 T 8.03 3.60 4.31 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 0.99 0.00 0.00 26 N 8.17 4.60 0.00 2.98 2.97 0.00 0.00 6.68 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.93 4.13 0.00 3.13 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 28 L 7.78 3.58 0.00 1.36 1.27 0.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.60 4.42 0.00 3.15 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 30 S 8.16 4.28 0.00 4.00 4.09 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 0.00 0.00 0.00 31 K 7.71 4.00 0.00 1.39 1.70 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.84 0.84 7.81 32 G 8.35 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.85 3.86 0.00 2.05 2.00 0.00 0.00 0.00 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 2.46 0.00 34 D 8.11 4.34 0.00 2.79 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 35 K 7.88 3.95 0.00 1.78 1.84 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.25 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.23 1.51 7.81 36 I 7.62 3.73 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.90 0.00 0.00 37 L 8.17 4.03 0.00 1.69 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 4.03 0.00 2.00 1.88 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 39 K 8.05 4.00 0.00 2.01 1.62 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.70 1.80 7.81 40 I 8.02 3.83 2.05 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 1.53 0.80 0.96 0.00 0.00 41 G 8.18 3.58 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 0.00 0.00 0.00 42 E 8.28 3.92 0.00 2.13 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 0.00 2.30 2.36 0.00 43 E 8.54 3.98 0.00 2.29 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 2.36 2.50 0.00 44 C 8.37 4.10 0.00 3.01 3.18 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 45 A 8.01 4.01 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 46 E 8.23 3.90 0.00 2.20 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 2.32 2.53 0.00 47 V 7.74 3.56 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 1.00 0.00 0.00 0.89 0.00 0.00 48 I 7.69 3.69 2.02 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 0.87 0.91 0.00 0.00 49 I 7.92 3.68 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 1.45 1.09 0.90 0.00 0.00 50 A 8.19 4.00 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 51 C 8.27 4.09 0.00 3.10 3.07 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 52 K 8.04 4.12 0.00 1.91 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.62 7.81 53 N 7.77 4.58 0.00 2.87 2.85 0.00 0.00 7.01 7.53 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 54 N 7.62 4.13 0.00 2.90 2.90 0.00 0.00 6.84 8.06 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 55 D 7.68 4.61 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.31 3.97 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 57 E 8.12 3.93 0.00 1.99 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 2.38 2.36 0.00 58 E 8.31 3.94 0.00 2.36 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 2.28 2.33 0.00 59 V 7.58 3.52 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 0.82 0.00 0.00 0.98 0.00 0.00 60 V 7.50 3.67 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 0.86 0.00 0.00 0.99 0.00 0.00 61 K 7.96 4.12 0.00 1.94 1.79 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.62 7.81 62 E 8.22 4.02 0.00 1.96 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 2.45 2.42 0.00 *64 V 7.84 3.77 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 0.97 0.00 0.00 0.95 0.00 0.00 65 D 8.00 4.42 0.00 2.92 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 66 V 7.88 3.66 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 1.11 0.00 0.00 0.94 0.00 0.00 67 F 7.98 4.38 0.00 3.15 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 68 Y 8.58 4.03 0.00 3.07 3.24 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 69 H 8.51 3.98 0.00 3.31 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 8.35 4.26 0.00 3.28 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 71 F 8.45 4.55 0.00 3.21 3.21 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 0.00 0.00 0.00 72 V 7.83 3.50 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 0.43 0.00 0.00 0.11 0.00 0.00 73 L 8.20 3.98 0.00 1.93 1.94 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.27 4.02 0.00 2.15 2.03 0.75 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.24 4.04 1.40 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 0.00 0.00 76 E 8.58 3.99 0.00 2.34 2.36 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 2.40 2.46 0.00 77 K 8.10 4.29 0.00 1.80 1.84 0.00 1.95 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.64 1.64 7.81 78 N 7.82 4.15 0.00 2.88 2.87 0.00 0.00 6.78 7.24 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 79 I 8.03 4.33 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 1.23 0.73 0.87 0.00 0.00 80 A 8.36 4.13 1.21 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 0.00 0.00 0.00 0.00 0.00 81 L 7.98 3.33 0.00 0.27 0.93 0.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.84 3.89 0.00 2.08 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 2.20 2.33 0.00 83 D 7.77 4.47 0.00 2.80 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 84 V 7.21 3.74 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 0.91 0.00 0.00 0.79 0.00 0.00 *86 R 8.13 4.19 0.00 2.07 1.96 0.00 3.14 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 87 E 7.94 3.88 0.00 2.06 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 2.27 2.32 0.00 88 V 7.98 3.52 2.00 0.00 0.00 0.00 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 89 K 7.89 3.94 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.46 7.81 90 E 8.46 3.89 0.00 2.06 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 2.29 2.30 0.00 91 R 8.28 3.88 0.00 2.08 2.05 0.00 3.18 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 92 N 8.10 4.38 0.00 2.99 2.84 0.00 0.00 7.20 7.49 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 93 G 7.99 3.76 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 0.00 0.00 0.00 94 K 7.76 4.08 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.72 7.81 95 L 7.55 4.30 0.00 1.75 1.58 0.95 1.28 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 * Residues marked with a * may have inaccurate shift predictions.