NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 A 4.4641 8.2493 123.5795 51.3496 20.7858 176.3110 36 F 5.1575 7.1095 108.5464 55.4942 41.2625 171.1376 37 T 4.7181 9.9822 117.9326 62.0180 71.7312 174.5676 38 I 5.1799 8.3493 125.4644 59.6570 40.1010 174.3093 39 L 4.7855 9.2849 126.8484 52.8534 44.6715 174.8920 40 D 3.9016 8.5070 123.3122 52.5747 42.3622 175.8447 41 V 4.0793 8.0547 119.1284 61.2739 32.7861 176.8043 42 R 4.5114 7.9037 120.8827 54.9734 31.0638 176.2382 43 D 4.3790 8.4241 117.7293 54.7202 42.7839 176.8308 44 R 3.8964 8.6786 125.6780 59.6319 29.7729 178.9186 45 S 4.1386 7.9706 112.9736 61.6530 63.4292 176.2614 46 T 4.0594 7.7348 118.8820 66.3906 68.3290 175.7866 47 Y 4.1253 8.0663 121.5029 61.0940 38.7182 178.0509 48 N 4.3577 8.4712 117.1007 56.4944 38.4036 176.5700 49 D 4.6955 7.7637 117.9447 54.1300 41.1852 174.9711 50 G 3.7074 6.0382 110.7784 44.4530 0.0000 172.0904 51 H 5.1215 8.3048 120.6826 53.5939 33.5569 177.0527 52 I 3.9199 8.5533 123.9243 61.6121 35.5843 179.5256 *54 G 3.9066 9.0948 119.9458 45.6897 0.0000 174.3571 55 A 4.9820 8.2271 124.6367 51.1892 20.2990 176.7889 *57 A 3.3909 8.4782 116.2155 51.6930 20.0393 175.0686 *59 P 4.1838 0.0000 0.0000 62.3666 32.9755 177.7807 60 I 3.5803 8.1487 124.6492 65.0208 36.9030 178.4687 61 E 4.0412 8.2122 116.8613 58.6375 29.4713 178.0309 62 D 4.8568 7.9891 116.2398 53.5347 41.6038 177.3940 63 L 3.8100 7.5348 122.2626 58.5375 42.0001 179.0493 64 V 3.5994 7.7103 117.0932 66.1458 31.5659 177.5106 65 D 4.3608 8.0395 117.8559 57.5680 40.7975 178.8352 66 R 3.8897 8.1789 118.1501 59.3278 30.0397 179.1004 67 A 3.9962 8.2639 120.7977 55.3400 18.1075 179.9128 68 S 4.2804 8.3381 113.0135 61.0465 62.9726 176.0957 69 S 4.5945 7.7850 114.3253 58.8035 63.5891 174.8493 70 S 4.6953 8.0436 116.9946 58.2924 64.7789 174.1620 71 L 4.9589 8.1504 119.4225 52.3984 44.9530 176.0928 72 E 4.2834 8.5810 119.7439 55.7593 30.6641 177.9482 73 K 3.6494 8.3540 120.1067 58.3246 32.2364 178.5083 74 S 4.4289 7.8034 112.0189 58.5246 63.8217 174.4275 75 R 4.1120 7.7805 122.7934 56.1244 30.5322 175.4128 76 D 4.8042 8.9344 125.0936 54.6969 42.0489 175.0878 77 I 5.1524 8.9196 124.9778 59.6209 40.8586 174.2111 78 Y 4.8948 9.5075 123.9230 56.2572 40.9505 175.1458 79 V 5.1615 8.7966 117.4254 59.8249 35.6618 174.3321 80 Y 5.1063 8.5356 120.4794 55.9983 41.5383 174.6984 81 G 4.3104 8.5606 109.9918 44.7677 0.0000 172.6213 82 A 4.3681 8.2469 119.3226 48.8458 17.8581 177.0318 83 G 4.1439 8.3417 108.5436 44.1547 0.0000 172.3887 84 D 4.3772 8.8654 119.4777 57.0933 40.7795 178.7606 85 E 3.8935 8.1294 119.2543 59.5363 29.7870 178.6026 86 Q 3.9799 8.0316 118.9664 59.2489 29.1401 178.0592 87 T 3.8411 7.8315 116.5853 66.8332 68.5163 176.5950 88 S 4.1147 8.3752 117.3329 61.6271 62.8002 176.5237 89 Q 3.9118 8.1948 121.8321 59.2579 28.8149 178.3772 90 A 3.9204 7.9813 121.5787 55.2083 18.4075 179.7771 91 V 3.5081 7.9010 116.7257 66.1648 31.5042 178.0557 92 N 4.3510 8.3835 116.3849 56.2418 38.2565 177.3679 93 L 3.9848 8.0969 120.4961 57.8401 41.7081 179.6842 94 L 4.0865 8.0286 118.8619 57.8617 41.5649 179.7785 95 R 4.3032 8.0929 119.4248 58.9288 29.8066 179.2976 96 S 4.2527 8.2744 113.6671 60.7758 62.8965 175.6044 97 A 4.3777 7.5199 121.5655 52.1548 18.6745 177.8475 98 G 3.8927 7.8359 105.3170 44.8416 0.0000 174.0354 99 F 4.1862 8.4448 120.3702 56.7888 39.1906 176.3074 100 E 3.9760 8.9371 127.9731 58.7052 29.7313 175.9920 101 H 4.8943 8.0024 114.9606 53.5523 31.2171 171.4662 102 V 4.7823 8.2266 121.6621 60.7502 33.9367 174.3712 103 S 4.7500 8.5061 121.5493 56.5157 66.7669 172.6175 104 E 4.8448 8.6610 119.8059 55.4479 31.2733 176.5390 105 L 4.6069 8.6962 124.2170 52.7057 42.1668 175.7301 106 K 4.1026 8.5173 122.8926 58.0203 32.8007 178.0369 107 G 3.9740 8.9858 111.3582 44.2753 0.0000 174.5633 108 G 3.8616 8.0145 109.1445 46.1576 0.0000 175.6075 109 L 3.7606 8.5902 119.0973 58.0999 42.0673 179.2715 110 A 3.9947 8.0031 120.1181 55.1255 18.5862 179.3420 111 A 4.0010 8.0439 119.1509 54.7781 18.4137 179.7891 112 W 4.1207 8.1568 127.0975 60.7259 30.8329 178.5537 113 K 4.0089 8.5998 118.5200 59.2650 31.2034 179.1927 114 A 4.0177 8.0386 120.7167 54.2640 18.2877 178.6031 115 I 4.1545 6.8948 107.9701 60.2331 38.0440 175.9493 116 G 3.6672 7.9347 108.1413 46.6354 0.0000 174.5227 117 G 2.8641 7.2434 107.9569 43.3729 0.0000 172.9366 118 P 4.5288 0.0000 0.0000 62.7189 32.1082 175.5189 119 T 5.0150 8.1891 109.5911 60.2502 72.4119 172.5589 120 E 4.7356 9.0129 120.7209 54.5914 33.8435 174.7922 121 L 4.9429 8.4893 121.9018 53.0589 44.6484 175.5976 122 E 4.7936 8.8071 121.6514 54.5906 32.0904 175.5571 123 H 4.4282 8.8386 122.7539 56.5620 30.3834 174.1977 124 H 4.6647 8.3031 120.5287 55.1664 30.6960 172.1432 125 H 4.9465 8.1624 114.6849 53.9054 31.3973 172.3631 126 H 4.7232 8.5839 116.9422 54.6193 31.2866 175.1942 127 H 4.7152 8.6726 128.0229 55.8401 27.5322 175.7217 *128 H 4.5518 7.7959 119.2486 54.5873 28.6360 175.6652 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 35 A 8.25 4.46 1.37 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 0.00 0.00 36 F 7.11 5.16 0.00 3.50 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.98 4.72 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 1.24 0.00 0.00 38 I 8.35 5.18 1.92 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 1.61 1.70 1.04 0.00 0.00 39 L 9.28 4.79 0.00 1.42 1.41 0.74 0.69 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 40 D 8.51 3.90 0.00 2.55 2.57 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 0.00 0.00 0.00 0.00 41 V 8.05 4.08 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 0.63 0.00 0.00 0.86 0.00 0.00 42 R 7.90 4.51 0.00 1.91 1.89 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 43 D 8.42 4.38 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.68 3.90 0.00 1.86 1.88 0.00 3.21 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 45 S 7.97 4.14 0.00 4.08 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 46 T 7.73 4.06 4.45 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 0.00 0.00 0.00 1.26 0.00 0.00 47 Y 8.07 4.13 0.00 2.94 3.12 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 0.00 48 N 8.47 4.36 0.00 2.84 2.55 0.00 0.00 7.10 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 49 D 7.76 4.70 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.04 3.71 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 0.00 0.00 0.00 51 H 8.30 5.12 0.00 3.30 3.08 0.00 5.47 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.55 3.92 1.54 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 -0.24 -0.30 -0.01 0.00 0.00 *54 G 9.09 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.23 4.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 3.39 0.18 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 *59 P 0.00 4.18 0.00 2.03 1.94 0.00 3.51 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.13 0.00 60 I 8.15 3.58 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.34 0.88 0.00 0.00 61 E 8.21 4.04 0.00 1.88 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 2.30 2.45 0.00 62 D 7.99 4.86 0.00 2.59 2.59 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 63 L 7.53 3.81 0.00 1.79 1.72 0.78 1.09 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 64 V 7.71 3.60 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 1.07 0.00 0.00 0.94 0.00 0.00 65 D 8.04 4.36 0.00 2.87 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 66 R 8.18 3.89 0.00 1.79 1.93 0.00 3.04 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 67 A 8.26 4.00 1.08 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 68 S 8.34 4.28 0.00 4.09 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 69 S 7.78 4.59 0.00 4.04 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 70 S 8.04 4.70 0.00 3.92 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 71 L 8.15 4.96 0.00 1.92 1.69 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.58 4.28 0.00 2.12 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 0.00 2.43 2.31 0.00 73 K 8.35 3.65 0.00 1.58 1.69 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.82 7.81 74 S 7.80 4.43 0.00 4.00 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 75 R 7.78 4.11 0.00 1.93 2.23 0.00 3.35 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 76 D 8.93 4.80 0.00 3.15 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 77 I 8.92 5.15 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.02 0.81 0.00 0.00 78 Y 9.51 4.89 0.00 2.96 2.92 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 0.00 0.00 0.00 79 V 8.80 5.16 2.02 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 0.69 0.00 0.00 0.95 0.00 0.00 80 Y 8.54 5.11 0.00 3.04 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 81 G 8.56 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 0.00 0.00 0.00 0.00 82 A 8.25 4.37 1.28 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 0.00 0.00 0.00 83 G 8.34 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.38 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.89 0.00 2.04 1.95 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 2.38 2.37 0.00 86 Q 8.03 3.98 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 87 T 7.83 3.84 4.43 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 1.25 0.00 0.00 88 S 8.38 4.11 0.00 4.03 3.92 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 0.00 0.00 0.00 89 Q 8.19 3.91 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 90 A 7.98 3.92 1.32 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 0.00 0.00 0.00 91 V 7.90 3.51 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 0.99 0.00 0.00 0.96 0.00 0.00 92 N 8.38 4.35 0.00 2.95 2.85 0.00 0.00 7.04 6.45 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 93 L 8.10 3.98 0.00 1.84 1.71 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.03 4.09 0.00 1.63 1.57 0.69 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.09 4.30 0.00 1.87 1.99 0.00 3.13 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 96 S 8.27 4.25 0.00 3.89 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 97 A 7.52 4.38 1.53 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 0.00 0.00 98 G 7.84 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 0.00 0.00 0.00 99 F 8.44 4.19 0.00 3.28 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 0.00 100 E 8.94 3.98 0.00 1.81 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 1.68 2.14 0.00 101 H 8.00 4.89 0.00 3.13 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.23 4.78 2.04 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 0.73 0.00 0.00 0.93 0.00 0.00 103 S 8.51 4.75 0.00 3.76 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 0.00 104 E 8.66 4.84 0.00 1.89 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 2.26 2.31 0.00 105 L 8.70 4.61 0.00 1.72 1.70 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.52 4.10 0.00 1.76 1.80 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 107 G 8.99 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 0.00 108 G 8.01 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 0.00 109 L 8.59 3.76 0.00 1.77 1.73 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.00 3.99 1.35 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 0.00 111 A 8.04 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.16 4.12 0.00 3.40 3.16 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 0.00 0.00 0.00 0.00 113 K 8.60 4.01 0.00 1.86 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.70 7.81 114 A 8.04 4.02 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 0.00 115 I 6.89 4.15 1.68 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.20 0.86 0.00 0.00 116 G 7.93 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 0.00 0.00 0.00 117 G 7.24 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 0.00 0.00 0.00 118 P 0.00 4.53 0.00 2.30 2.13 0.00 3.78 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 2.34 2.09 0.00 119 T 8.19 5.02 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 1.36 0.00 0.00 120 E 9.01 4.74 0.00 1.48 1.66 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 2.18 2.22 0.00 121 L 8.49 4.94 0.00 1.46 1.55 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.81 4.79 0.00 1.88 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 2.25 2.58 0.00 123 H 8.84 4.43 0.00 3.11 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.30 4.66 0.00 3.16 3.16 0.00 5.52 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.16 4.95 0.00 3.18 3.24 0.00 5.47 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 0.00 126 H 8.58 4.72 0.00 3.12 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.67 4.72 0.00 3.17 3.27 0.00 5.66 0.00 0.00 0.00 0.00 5.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 H 7.80 4.55 0.00 2.89 2.78 0.00 7.23 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.