NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 Q 4.2679 8.3449 121.7138 56.2677 29.4866 174.3066 28 E 4.4451 8.0065 117.4245 54.8526 31.2771 173.7978 29 I 5.2530 7.5799 119.7816 59.3349 41.4414 174.1606 30 S 4.7918 9.1902 121.7026 57.0074 67.0110 172.3670 31 K 5.0214 8.6206 121.2975 54.7818 34.4627 175.1788 32 S 4.9106 9.2700 122.9151 56.7435 66.7798 172.9824 33 I 4.9188 8.0575 122.6389 59.7640 40.4626 174.0495 34 Y 5.2941 8.6958 122.8636 56.3848 42.0831 174.2798 35 T 4.8085 8.8257 112.8481 60.6362 71.3053 172.9713 36 C 5.5159 9.0873 121.1218 54.6264 43.4459 173.0436 37 N 4.4554 8.9302 117.5362 54.3524 39.4811 175.1862 38 D 4.2101 9.0522 117.7060 55.6094 38.5995 173.8800 39 N 4.1888 7.5620 108.2892 54.9892 36.1929 173.5599 40 Q 4.6979 7.8942 116.4324 54.1204 33.1428 175.5171 41 V 4.9281 7.6962 117.6824 60.1478 34.5165 174.0625 *43 E 4.4535 8.4035 117.2019 56.5284 30.7365 175.8560 44 V 4.3421 8.7439 122.0716 61.2151 35.2899 174.0076 45 I 4.6250 8.2944 128.7333 60.2771 38.8264 174.2007 46 Y 5.1026 8.8689 125.2351 56.3147 40.5347 174.8888 47 V 4.8952 8.9167 122.7503 61.1705 34.9133 173.8397 48 N 5.4726 9.4115 126.4116 52.1074 41.2281 174.0495 49 T 4.5761 9.0993 117.5728 60.7859 70.0574 175.8952 50 E 3.9796 9.0703 122.0973 58.7709 29.4816 177.9979 51 A 4.3111 7.9350 119.7628 52.1108 19.3159 177.6000 52 G 4.0139 8.3127 104.6322 44.9328 0.0000 173.0081 53 N 4.7483 8.2205 117.3730 51.6882 40.3781 173.9555 54 A 5.3029 8.1608 124.6342 50.4390 22.2507 174.5806 55 Y 5.3849 9.3960 118.2423 56.4699 42.9957 174.1274 56 A 4.9207 8.5547 120.7591 50.4178 22.6615 175.5585 57 I 4.6900 8.7374 121.2138 59.3856 40.5909 175.0908 58 I 4.6753 8.0329 119.4903 58.9316 40.7249 174.6647 59 S 4.7530 8.2645 116.0100 56.6097 64.6647 173.1045 60 Q 4.3399 8.5748 125.7290 55.2716 32.2322 175.5466 61 V 3.0825 9.2576 121.5247 64.2984 29.9063 172.1622 62 N 4.4052 8.4378 109.5107 54.1397 37.0366 174.5437 63 E 4.4660 7.6531 119.8941 55.6411 34.2891 176.5469 *65 I 3.8632 8.3521 126.7950 61.5466 38.8414 174.0133 66 P 4.8593 0.0000 0.0000 61.8795 33.3060 175.2956 *68 R 4.4714 8.2701 119.6480 56.0166 31.2773 174.5453 69 L 3.8040 8.1493 126.9709 54.2582 42.9523 178.2794 *71 K 4.2024 8.5218 120.5875 55.2242 35.7884 175.7063 *75 G 4.3025 8.7919 115.2735 46.7742 0.0000 173.7832 76 A 4.8449 9.3470 128.6642 50.2767 22.1754 174.2191 77 N 5.5310 8.8842 120.5513 51.7105 41.3155 173.9479 78 Y 5.0354 9.1992 120.2288 56.2859 41.8071 174.5234 79 E 5.2152 9.0024 120.4144 54.0454 33.4582 175.7315 80 A 4.2089 8.4291 124.4278 52.8513 18.4236 178.1528 81 I 3.7497 8.6375 123.8051 64.1893 37.5946 176.3737 82 D 4.5832 8.0294 121.4018 53.5229 40.7996 176.7063 83 K 4.1900 8.6756 126.8254 58.6339 32.2351 178.0892 84 N 4.4207 8.5378 115.8868 54.9516 38.6898 174.6044 85 Y 4.5713 7.9114 116.0023 56.5648 39.8092 175.3221 86 T 4.6532 7.8572 110.9219 61.5333 70.8816 172.9898 87 Y 4.7073 7.8957 120.2415 58.9240 39.2343 175.3206 88 K 4.9785 9.3054 122.0163 54.5692 36.8455 174.8788 89 L 4.9426 8.9437 127.2272 53.6886 44.2022 174.3744 90 Y 5.1378 9.0518 125.5522 56.6446 39.9476 175.0843 91 T 5.1257 8.9281 114.3229 59.9559 72.7188 173.6293 92 K 4.2388 9.0352 125.0540 55.0686 34.9251 177.7493 93 G 3.8584 8.9160 120.2117 47.0254 0.0000 173.2077 94 K 4.4262 8.9612 125.4974 56.1629 32.5223 175.3025 95 T 5.3845 7.8263 109.9586 60.3992 72.1542 172.8499 96 A 5.1703 8.7345 122.4544 51.6145 23.4027 175.0103 97 E 5.1216 9.2875 117.6758 55.0257 34.7232 174.2798 98 L 5.1997 9.2185 125.8920 53.4992 44.8976 175.6041 99 V 5.2358 9.0553 118.6020 59.7324 36.5295 173.8654 100 E 5.0157 8.4958 118.4379 54.0254 33.1436 177.2274 101 G 3.5631 8.6200 109.6380 47.3245 0.0000 176.9326 102 D 4.5782 8.6682 118.2179 54.5790 39.3619 175.0490 103 D 4.5311 7.9106 115.4514 54.8557 39.4571 174.5297 104 K 4.2250 8.0063 118.1880 55.1582 32.6844 175.4292 105 P 4.5586 0.0000 0.0000 63.1063 31.9997 175.1845 106 V 4.3296 8.9306 122.0410 64.0029 33.4470 175.6984 107 L 4.8765 7.8175 119.3273 52.9972 45.1644 175.5830 108 S 4.9333 8.5363 118.6170 56.5555 67.0971 173.2899 109 N 4.2877 8.7432 116.5833 54.6530 36.6959 174.3795 110 C 5.1077 8.1779 115.0740 56.8049 43.2107 174.3595 111 S 5.4810 9.2006 117.1330 56.1375 66.1807 173.3951 112 L 3.9445 8.9086 122.9787 55.2774 42.1040 177.1745 113 A 4.3634 8.6579 124.4178 51.9928 18.8012 176.3945 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 27 Q 8.34 4.27 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 28 E 8.01 4.45 0.00 2.07 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 0.00 2.51 2.40 0.00 29 I 7.58 5.25 1.89 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 1.29 1.06 0.96 0.00 0.00 30 S 9.19 4.79 0.00 3.93 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 31 K 8.62 5.02 0.00 1.73 1.69 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.40 7.81 32 S 9.27 4.91 0.00 4.00 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 33 I 8.06 4.92 1.82 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 1.34 0.64 0.92 0.00 0.00 34 Y 8.70 5.29 0.00 2.78 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 35 T 8.83 4.81 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 1.24 0.00 0.00 36 C 9.09 5.52 0.00 2.85 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 37 N 8.93 4.46 0.00 2.73 2.76 0.00 0.00 7.47 8.41 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 38 D 9.05 4.21 0.00 2.99 2.79 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 39 N 7.56 4.19 0.00 2.88 2.88 0.00 0.00 6.62 7.57 0.00 0.00 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 Q 7.89 4.70 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 41 V 7.70 4.93 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 1.15 0.00 0.00 0.95 0.00 0.00 *43 E 8.40 4.45 0.00 1.88 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 2.21 2.31 0.00 44 V 8.74 4.34 1.76 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 -0.08 0.00 0.00 0.78 0.00 0.00 45 I 8.29 4.62 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.62 0.94 0.00 0.00 46 Y 8.87 5.10 0.00 2.91 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 47 V 8.92 4.90 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 1.22 0.00 0.00 0.97 0.00 0.00 48 N 9.41 5.47 0.00 2.72 2.71 0.00 0.00 7.25 7.38 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 49 T 9.10 4.58 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 1.43 0.00 0.00 50 E 9.07 3.98 0.00 2.00 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 2.36 2.42 0.00 51 A 7.93 4.31 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 52 G 8.31 4.01 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 0.00 0.00 0.00 53 N 8.22 4.75 0.00 2.78 2.51 0.00 0.00 6.69 7.45 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 54 A 8.16 5.30 1.22 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 0.00 0.00 55 Y 9.40 5.38 0.00 2.86 2.82 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 56 A 8.55 4.92 0.34 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 57 I 8.74 4.69 1.74 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 1.19 0.48 0.84 0.00 0.00 58 I 8.03 4.68 1.64 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.35 0.68 0.00 0.00 59 S 8.26 4.75 0.00 3.76 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 60 Q 8.57 4.34 0.00 1.70 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.06 0.00 0.00 0.00 0.00 0.00 1.89 1.50 0.00 61 V 9.26 3.08 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 0.81 0.00 0.00 1.04 0.00 0.00 62 N 8.44 4.41 0.00 2.93 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 63 E 7.65 4.47 0.00 2.04 1.63 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 0.00 2.24 2.46 0.00 *65 I 8.35 3.86 1.64 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.12 0.76 0.00 0.00 66 P 0.00 4.86 0.00 2.04 1.92 0.00 3.50 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 2.03 1.99 0.00 *68 R 8.27 4.47 0.00 2.10 1.92 0.00 3.20 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 69 L 8.15 3.80 0.00 1.45 1.32 0.30 0.53 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 *71 K 8.52 4.20 0.00 1.92 1.26 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 *75 G 8.79 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 0.00 0.00 0.00 76 A 9.35 4.84 1.13 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 0.00 0.00 77 N 8.88 5.53 0.00 2.46 2.39 0.00 0.00 6.87 8.29 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 78 Y 9.20 5.04 0.00 2.73 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 79 E 9.00 5.22 0.00 1.80 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 2.18 2.17 0.00 80 A 8.43 4.21 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 81 I 8.64 3.75 1.91 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 1.30 0.68 0.96 0.00 0.00 82 D 8.03 4.58 0.00 2.77 2.79 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 83 K 8.68 4.19 0.00 1.81 1.87 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.43 7.81 84 N 8.54 4.42 0.00 2.82 2.60 0.00 0.00 6.85 6.84 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 85 Y 7.91 4.57 0.00 3.13 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 86 T 7.86 4.65 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 1.15 0.00 0.00 87 Y 7.90 4.71 0.00 3.00 2.88 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 0.00 0.00 0.00 88 K 9.31 4.98 0.00 1.62 1.27 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.53 7.81 89 L 8.94 4.94 0.00 1.68 1.57 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.05 5.14 0.00 2.94 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 91 T 8.93 5.13 4.40 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 1.43 0.00 0.00 92 K 9.04 4.24 0.00 1.85 1.73 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.42 7.81 93 G 8.92 3.86 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 0.00 0.00 0.00 94 K 8.96 4.43 0.00 1.83 1.85 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.37 7.81 95 T 7.83 5.38 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 1.27 0.00 0.00 96 A 8.73 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 9.29 5.12 0.00 1.97 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 2.25 2.29 0.00 98 L 9.22 5.20 0.00 1.65 1.49 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 99 V 9.06 5.24 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 0.84 0.00 0.00 1.26 0.00 0.00 100 E 8.50 5.02 0.00 1.72 1.93 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 2.36 2.07 0.00 101 G 8.62 3.56 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 0.00 0.00 0.00 102 D 8.67 4.58 0.00 2.63 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 0.00 103 D 7.91 4.53 0.00 2.83 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 0.00 104 K 8.01 4.23 0.00 2.01 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.42 7.81 105 P 0.00 4.56 0.00 2.06 2.01 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 106 V 8.93 4.33 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 0.86 0.00 0.00 1.06 0.00 0.00 107 L 7.82 4.88 0.00 1.57 1.49 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.54 4.93 0.00 3.74 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 0.00 109 N 8.74 4.29 0.00 3.04 2.89 0.00 0.00 6.99 7.28 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 0.00 110 C 8.18 5.11 0.00 2.88 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 S 9.20 5.48 0.00 3.88 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 0.00 112 L 8.91 3.94 0.00 1.44 1.51 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.66 4.36 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 * Residues marked with a * may have inaccurate shift predictions.