NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 Q 4.3652 8.3449 119.6898 55.8358 29.3355 173.6745 28 E 4.7313 8.1088 120.1764 54.6052 32.8288 173.7156 29 I 5.1965 7.7107 120.1129 59.3783 40.3861 174.7965 30 S 4.8318 9.1934 120.2569 56.4827 67.1585 172.5275 31 K 4.9746 8.6651 121.3536 54.8394 34.2699 175.0866 32 S 4.8773 9.2146 123.7468 56.7896 66.0065 173.0258 33 I 4.7683 8.1126 123.8585 59.7731 39.6516 173.9457 34 Y 5.1401 8.7557 124.3540 56.3367 41.1764 174.5273 35 T 4.6090 8.9233 114.0516 60.7181 70.9692 173.2159 36 C 5.7191 8.9295 122.6076 54.5152 40.2925 173.1608 37 N 4.4566 8.8836 117.2511 53.9811 39.5038 175.1879 38 D 4.2754 9.1617 116.8593 55.5688 38.2385 173.5833 39 N 4.2277 8.3177 113.2808 54.7403 37.4915 173.2719 40 Q 4.6367 7.6692 114.8770 53.7572 30.7229 175.8068 41 V 4.7957 7.7045 120.3581 59.0609 34.0866 174.0777 *43 E 4.3655 8.4484 117.4926 56.8364 30.7025 175.7052 44 V 4.3059 8.7413 123.2050 61.0589 34.9848 174.1111 45 I 4.5585 8.2894 128.9652 60.5298 38.6183 174.2173 46 Y 5.0407 8.7172 125.5961 56.4995 40.2066 174.9002 47 V 4.8473 9.0055 123.9859 61.3922 33.9293 174.0657 48 N 5.5337 9.6081 126.3273 51.3670 41.0061 174.4411 49 T 4.2597 9.0354 115.0235 61.0299 69.7086 175.9084 50 E 3.8647 9.3734 123.2952 59.4331 29.5622 178.3495 51 A 4.1741 7.9056 119.1152 52.6744 19.0643 177.7941 52 G 4.0789 8.3998 104.7456 44.9822 0.0000 173.3116 53 N 4.8297 8.3914 116.9349 52.0077 40.7089 174.0569 54 A 5.2068 7.9973 122.7197 50.5475 22.3185 174.6599 55 Y 5.3636 9.5389 119.1504 56.4315 42.9452 174.1319 56 A 5.0094 8.5757 120.6455 50.5242 22.8124 175.6022 57 I 4.7497 8.5651 120.1705 59.4430 40.9102 174.9305 58 I 4.6853 8.0322 119.6662 58.9198 40.7348 174.6032 59 S 4.8716 8.3204 116.7963 56.6156 64.5272 173.2297 60 Q 4.3427 8.7099 125.5102 55.4140 32.4574 175.3132 61 V 3.5120 9.3018 120.9241 64.3068 29.9623 172.2703 62 N 4.3823 8.3789 109.0708 54.2458 37.0719 174.6263 63 E 4.5181 7.7494 119.4999 55.7821 34.0013 176.8550 *65 I 3.8509 8.3500 126.7897 61.5379 38.7842 173.9284 66 P 4.8397 0.0000 0.0000 61.8558 33.2338 175.5906 *68 R 4.4416 8.2716 116.1991 55.9735 30.7028 176.5249 69 L 4.3295 7.9003 124.5778 54.1490 44.0915 176.1862 *71 K 3.8176 8.5819 116.0599 55.8145 33.0907 176.8318 *73 A 4.0375 8.2485 128.1792 50.4043 18.9966 176.7001 74 S 4.4122 7.9557 108.1557 57.6063 64.4083 178.5824 75 G 3.6545 8.6509 118.9964 45.9012 0.0000 170.7916 76 A 4.5114 8.3516 123.1840 50.3296 21.4802 175.4551 77 N 5.6281 8.4301 118.7965 52.4196 42.2080 173.5872 78 Y 5.2423 9.4505 120.9003 56.0690 41.9069 174.4144 79 E 5.0950 8.9607 119.5260 53.9692 32.6819 175.5595 80 A 4.2432 8.3597 123.3407 52.7863 18.4181 178.1660 81 I 3.7753 8.5876 123.4015 64.0137 37.6270 176.3555 82 D 4.6222 8.0346 121.2464 53.1823 41.0168 176.5870 83 K 4.2685 8.6701 125.9878 58.5885 32.8407 177.5646 84 N 4.4493 8.7085 117.1184 54.9538 38.7868 174.4811 85 Y 4.4746 8.0209 116.4735 56.4985 39.6810 175.3852 86 T 4.5847 7.8562 111.9627 61.6336 70.5922 173.2315 87 Y 4.6863 7.7966 120.5146 58.6729 39.1723 175.0573 88 K 4.8745 9.0882 122.2144 54.4177 36.7887 174.9434 89 L 4.7950 8.7040 126.2118 53.6505 44.3067 174.4068 90 Y 5.7229 9.1302 125.5063 55.9937 39.9854 175.1712 91 T 5.2317 8.9654 113.7491 60.0981 72.9739 173.6524 92 K 4.4746 9.1424 122.9919 54.9869 36.2978 177.1764 93 G 3.7815 8.9667 116.5599 47.0729 0.0000 174.1557 94 K 4.3497 8.8324 125.4402 56.5571 32.4780 175.5900 95 T 5.3797 7.9971 110.1334 60.4421 71.9256 173.1469 96 A 5.1792 8.6887 122.3533 51.3753 23.3374 175.1624 97 E 5.0181 9.3468 118.4201 54.6831 34.5160 174.2261 98 L 5.0389 9.0080 126.1458 53.4415 44.6510 175.6004 99 V 5.2133 8.7734 118.7826 59.6178 36.4624 173.8623 100 E 5.0298 8.4431 118.7346 53.2225 33.3287 177.6925 101 G 3.7424 8.8570 110.4163 47.2757 0.0000 176.2765 102 D 4.5724 8.6260 118.9252 53.8366 39.6859 175.1585 103 D 4.4788 7.7409 113.3569 55.1378 39.2361 174.5688 104 K 4.2157 8.4376 120.2947 54.9606 32.9530 174.2145 105 P 4.5421 0.0000 0.0000 63.2260 31.9165 174.9106 106 V 4.3170 8.7931 122.0098 64.0033 33.2034 175.5318 107 L 4.8915 7.7587 118.9443 52.9496 45.2551 175.3984 108 S 5.1624 8.4844 118.3915 56.5788 67.0892 173.0575 109 N 4.2937 8.7795 118.1686 54.9045 37.8545 173.7918 110 C 5.0523 8.0818 114.8894 56.7970 41.4648 174.5731 111 S 5.5007 9.1720 118.1447 56.3362 67.1636 173.4950 112 L 3.9376 8.5890 122.7600 55.2939 41.9027 177.3022 113 A 4.1547 8.4888 126.0445 52.1558 19.1861 177.1003 114 N 4.3258 8.4161 118.8888 54.1312 38.9243 174.0867 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 4.37 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 28 E 8.11 4.73 0.00 2.00 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 2.46 2.27 0.00 29 I 7.71 5.20 1.89 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 1.43 0.63 0.92 0.00 0.00 30 S 9.19 4.83 0.00 3.90 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 31 K 8.67 4.97 0.00 1.73 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.39 7.81 32 S 9.21 4.88 0.00 4.02 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 33 I 8.11 4.77 1.82 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 1.31 1.02 0.91 0.00 0.00 34 Y 8.76 5.14 0.00 2.91 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 35 T 8.92 4.61 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 1.23 0.00 0.00 36 C 8.93 5.72 0.00 2.91 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 37 N 8.88 4.46 0.00 2.65 2.76 0.00 0.00 7.46 8.45 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 38 D 9.16 4.28 0.00 2.84 2.77 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 0.00 0.00 0.00 39 N 8.32 4.23 0.00 2.83 2.88 0.00 0.00 7.13 7.08 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 40 Q 7.67 4.64 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.24 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 41 V 7.70 4.80 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 1.04 0.00 0.00 1.01 0.00 0.00 *43 E 8.45 4.37 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 44 V 8.74 4.31 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 -0.03 0.00 0.00 0.76 0.00 0.00 45 I 8.29 4.56 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 0.80 0.88 0.00 0.00 46 Y 8.72 5.04 0.00 2.96 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 47 V 9.01 4.85 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 1.16 0.00 0.00 0.96 0.00 0.00 48 N 9.61 5.53 0.00 2.64 2.75 0.00 0.00 6.33 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.04 4.26 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 1.44 0.00 0.00 50 E 9.37 3.86 0.00 1.95 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 2.37 2.47 0.00 51 A 7.91 4.17 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 52 G 8.40 4.08 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 0.00 0.00 0.00 53 N 8.39 4.83 0.00 2.79 2.67 0.00 0.00 6.65 7.17 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 54 A 8.00 5.21 1.24 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 0.00 0.00 55 Y 9.54 5.36 0.00 2.87 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 56 A 8.58 5.01 0.35 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 0.00 0.00 0.00 0.00 0.00 57 I 8.57 4.75 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 1.20 0.50 0.80 0.00 0.00 58 I 8.03 4.69 1.64 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.38 0.67 0.00 0.00 59 S 8.32 4.87 0.00 3.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.34 0.00 1.69 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.01 0.00 0.00 0.00 0.00 0.00 1.83 1.42 0.00 61 V 9.30 3.51 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 0.80 0.00 0.00 1.04 0.00 0.00 62 N 8.38 4.38 0.00 2.92 2.89 0.00 0.00 6.96 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 7.75 4.52 0.00 2.02 1.65 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 2.24 2.50 0.00 *65 I 8.35 3.85 1.66 0.00 0.00 0.32 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 1.44 0.79 0.00 0.00 66 P 0.00 4.84 0.00 2.05 1.93 0.00 3.48 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 *68 R 8.27 4.44 0.00 1.90 2.28 0.00 3.04 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 69 L 7.90 4.33 0.00 1.40 1.36 0.41 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 *71 K 8.58 3.82 0.00 1.67 1.74 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.38 7.81 *73 A 8.25 4.04 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 74 S 7.96 4.41 0.00 3.89 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 75 G 8.65 3.65 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 0.00 76 A 8.35 4.51 1.24 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 0.00 0.00 77 N 8.43 5.63 0.00 2.65 2.95 0.00 0.00 6.83 7.48 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 78 Y 9.45 5.24 0.00 2.85 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.96 5.10 0.00 1.97 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 2.23 2.29 0.00 80 A 8.36 4.24 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 81 I 8.59 3.78 1.91 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 1.30 0.68 0.97 0.00 0.00 82 D 8.03 4.62 0.00 2.74 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 83 K 8.67 4.27 0.00 1.93 1.96 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 84 N 8.71 4.45 0.00 2.85 2.70 0.00 0.00 6.82 7.40 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 85 Y 8.02 4.47 0.00 3.11 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 86 T 7.86 4.58 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 1.13 0.00 0.00 87 Y 7.80 4.69 0.00 2.97 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 88 K 9.09 4.87 0.00 1.24 1.12 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.33 7.81 89 L 8.70 4.80 0.00 1.65 1.56 0.75 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.13 5.72 0.00 2.95 2.80 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 91 T 8.97 5.23 4.51 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 0.00 0.00 0.00 1.47 0.00 0.00 92 K 9.14 4.47 0.00 1.73 1.74 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.44 7.81 93 G 8.97 3.78 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 0.00 0.00 0.00 94 K 8.83 4.35 0.00 1.87 1.86 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.43 7.81 95 T 8.00 5.38 4.32 0.00 0.00 0.00 0.00 0.00 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 8.69 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 9.35 5.02 0.00 1.99 1.87 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 2.28 2.48 0.00 98 L 9.01 5.04 0.00 1.61 1.43 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.77 5.21 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 0.82 0.00 0.00 1.00 0.00 0.00 100 E 8.44 5.03 0.00 1.69 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 2.34 2.05 0.00 101 G 8.86 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 0.00 102 D 8.63 4.57 0.00 2.65 2.63 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 0.00 0.00 0.00 103 D 7.74 4.48 0.00 2.90 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 K 8.44 4.22 0.00 1.75 1.85 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.42 7.81 105 P 0.00 4.54 0.00 2.11 2.01 0.00 3.71 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 2.05 2.11 0.00 106 V 8.79 4.32 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 0.83 0.00 0.00 1.07 0.00 0.00 107 L 7.76 4.89 0.00 1.54 1.47 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.48 5.16 0.00 3.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.29 0.00 2.82 2.99 0.00 0.00 7.17 7.19 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 0.00 110 C 8.08 5.05 0.00 2.95 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 0.00 111 S 9.17 5.50 0.00 3.77 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 0.00 112 L 8.59 3.94 0.00 1.43 1.47 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.49 4.15 1.24 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 0.00 0.00 114 N 8.42 4.33 0.00 2.61 2.61 0.00 0.00 6.92 7.56 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 * Residues marked with a * may have inaccurate shift predictions.