NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.3530 8.3049 120.3434 55.3484 32.7432 174.9992 7 I 4.0002 7.8449 127.3893 59.1169 38.5229 173.0352 8 P 4.3484 0.0000 0.0000 64.0783 32.1919 176.8394 9 G 3.8967 9.1942 112.5989 44.9612 0.0000 173.0350 10 G 3.9249 7.1398 108.6527 43.8791 0.0000 173.3380 11 L 4.2183 7.8813 119.0598 54.2905 42.5110 178.2463 12 S 4.4281 8.2115 117.0750 57.7138 65.0475 172.5321 13 E 4.2487 8.4938 120.5007 55.5409 29.9227 176.7645 14 A 4.2443 8.4576 128.3071 53.0243 19.3258 176.6167 15 K 4.4537 8.4159 117.0894 54.2601 37.0712 174.0346 16 P 4.6681 0.0000 0.0000 62.9009 32.1506 175.8531 17 A 4.6637 8.5103 124.9310 52.1866 19.2055 177.8494 18 T 4.4585 8.4058 112.3398 59.5467 71.1219 174.0341 19 P 4.2439 0.0000 0.0000 65.4855 31.1108 178.6013 20 E 3.8952 8.0384 118.0301 59.1592 29.5016 178.9081 21 I 3.6102 7.7664 120.1781 63.9846 37.1166 178.0739 22 Q 3.9244 7.8835 120.1107 59.0695 29.0258 177.4540 23 E 3.8435 8.2173 120.2949 59.6609 29.5151 178.6788 24 I 3.5157 7.6690 119.4240 64.4312 36.9058 178.4422 25 V 3.5460 7.4784 117.7084 66.1403 31.7231 177.3021 26 D 4.5046 8.0693 118.3782 57.5891 40.5207 179.1807 27 K 3.9678 7.7157 117.3344 58.8833 32.2698 178.7921 28 V 4.0693 7.3671 117.2456 62.0396 31.8192 177.5278 29 K 3.7572 7.9997 121.6404 59.0131 31.8962 176.2907 30 P 4.4501 0.0000 0.0000 66.4716 30.4494 178.2254 31 Q 4.0116 7.9382 117.3838 58.4214 28.4552 178.3173 32 L 3.7296 8.3097 121.8103 58.2460 42.3293 178.9107 33 E 4.2362 8.2577 117.6302 58.9735 29.1089 178.8192 34 E 3.9906 7.6942 118.9376 58.6789 29.8158 177.9951 35 K 4.2911 7.5607 115.8098 58.2329 32.8175 178.3935 36 T 4.2252 8.2721 115.5584 63.1602 68.7271 176.3815 37 N 4.4165 7.7349 114.8649 53.3946 37.4270 173.8931 38 E 4.1643 7.4829 118.8421 55.3162 30.7055 175.3102 39 T 4.2165 7.8230 119.7362 61.9670 70.4283 174.0677 40 Y 4.4932 8.0542 123.8959 56.4059 41.7736 178.3557 *43 G 4.2580 8.4430 110.8675 45.4923 0.0000 176.1443 44 K 4.2725 8.9989 129.5748 54.3466 31.4604 173.8927 45 L 4.2557 8.2250 125.7521 54.4403 42.5314 175.9637 46 E 4.4564 8.9426 125.5376 54.2887 31.2594 174.9140 47 A 4.3143 9.4270 130.6147 53.0766 17.0324 177.0936 48 V 3.9505 9.3303 121.7678 65.7214 32.8982 175.3505 49 Q 5.1821 7.9449 119.9939 55.1423 32.9873 172.2766 50 Y 5.3469 8.8376 121.4117 56.4284 42.3066 172.4799 51 K 4.8210 8.5709 116.5696 56.9892 36.3020 175.7899 52 T 4.6720 8.0449 107.1069 61.6384 71.6856 172.3961 53 Q 4.9051 8.9528 124.9428 54.2758 32.8204 173.9306 54 V 4.6866 8.2990 123.2953 61.5562 33.6814 175.1715 55 V 4.2514 7.9520 119.8525 60.8169 35.2825 174.8209 56 A 4.4671 8.4815 120.3960 51.0163 17.0120 176.6629 57 G 4.0643 6.7531 115.9304 44.5380 0.0000 171.3551 58 T 5.0450 8.5567 120.6826 62.4648 73.7336 172.6218 59 N 5.5042 8.8833 123.5206 52.1918 40.5130 173.4364 60 Y 5.0357 9.2370 122.7917 56.8648 40.5279 174.4671 61 Y 4.9206 9.0815 121.5321 56.6435 40.2683 174.7186 62 I 5.1396 9.0124 125.4674 59.3071 41.3266 175.0186 63 K 5.0333 9.3768 126.4296 55.2086 34.1030 174.9513 64 V 5.4420 8.7645 121.5093 59.0421 34.5511 175.3524 65 R 4.2063 8.4298 125.0403 55.2914 30.5528 175.5504 66 A 4.0667 9.0413 132.0279 54.5372 17.7053 179.4222 67 G 4.1728 8.1649 103.8895 45.1729 0.0000 175.5637 68 D 4.5023 9.1335 123.3794 54.8045 38.8120 176.3579 *92 N 4.9519 7.9826 122.4745 52.5641 40.5421 174.4034 93 K 4.3793 7.1994 117.8580 55.5077 33.9736 175.6359 94 Y 5.2174 8.5047 122.1119 56.3872 41.1226 174.3657 95 M 5.1993 9.4411 123.4206 54.0758 36.7606 174.0558 96 H 6.1172 9.0503 120.0680 53.4325 31.0711 173.0099 97 L 4.8813 8.5681 123.5827 53.7418 43.7966 175.9676 98 K 4.4757 8.6412 123.5934 54.4416 32.1826 174.8235 99 V 4.1598 8.3854 124.4998 62.0502 33.3820 174.0684 100 F 5.5919 8.5390 127.1780 56.4072 42.6123 174.0826 101 K 4.3004 7.6339 125.0742 54.3780 34.8631 175.7659 102 S 4.4702 7.5852 122.9508 57.3452 63.5626 173.7735 102A L 4.1845 8.3780 123.0341 53.9198 41.9713 176.7986 103 P 4.3174 0.0000 0.0000 65.5186 31.1760 178.9951 104 G 3.7057 7.9555 103.7724 48.0503 0.0000 175.4094 105 Q 4.1024 8.0208 120.8067 56.1519 28.5738 177.0755 105A N 4.3190 8.2320 115.6566 54.1653 37.6372 173.4971 106 E 4.0596 7.4117 117.3992 55.2893 30.2316 176.4064 107 D 4.7658 8.2769 124.4158 53.3768 42.5258 174.9062 108 L 4.8886 8.1506 120.3121 54.2566 41.7853 177.3445 109 V 4.4156 8.4210 123.7477 60.4510 33.8458 173.6873 110 L 4.3128 8.7881 130.9737 56.2858 42.0268 176.6942 111 T 4.4948 8.6521 116.6043 61.4988 70.0596 174.1259 112 G 4.3488 7.8170 108.3595 46.5643 0.0000 171.7610 113 Y 5.5272 7.9243 115.6104 56.1530 40.5145 173.7138 114 Q 4.4656 8.8889 120.1704 54.2341 32.2919 174.9601 115 V 4.4771 8.4294 116.0458 60.3319 34.5211 175.3475 115A D 4.3531 8.7281 118.8660 55.0134 37.5732 172.5138 116 K 4.6546 8.6321 118.9380 53.9161 35.8085 176.5088 117 N 4.6591 8.7493 120.0452 52.7904 39.0769 176.3401 118 K 2.7519 8.4147 121.3904 58.7714 32.1741 177.3192 119 D 4.5815 7.7010 115.9739 54.3707 41.6082 176.2929 120 D 4.4218 7.4375 118.6390 54.6538 41.4408 175.8843 121 E 4.2995 8.5088 122.8666 54.8660 30.5523 176.1361 122 L 4.0872 8.5595 126.7615 55.1728 42.0296 176.3939 123 T 4.6920 8.6341 112.8490 59.6440 71.8886 175.0269 124 G 3.9129 8.2440 112.1887 44.3010 0.0000 173.9338 125 F 4.5518 8.4466 118.5077 57.4783 38.1504 176.5081 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 6 M 8.30 4.35 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 7 I 7.84 4.00 1.84 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 1.40 0.63 0.89 0.00 0.00 8 P 0.00 4.35 0.00 2.03 1.99 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 G 9.19 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 10 G 7.14 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 0.00 0.00 0.00 11 L 7.88 4.22 0.00 1.35 1.33 -0.16 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.21 4.43 0.00 3.80 3.96 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 13 E 8.49 4.25 0.00 1.94 1.81 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 2.21 2.24 0.00 14 A 8.46 4.24 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 15 K 8.42 4.45 0.00 1.26 1.50 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.16 1.36 7.81 16 P 0.00 4.67 0.00 1.98 2.04 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 17 A 8.51 4.66 1.45 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 0.00 0.00 0.00 18 T 8.41 4.46 4.26 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 1.32 0.00 0.00 19 P 0.00 4.24 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 20 E 8.04 3.90 0.00 2.01 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 2.22 2.31 0.00 21 I 7.77 3.61 1.91 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.54 0.87 0.00 0.00 22 Q 7.88 3.92 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 23 E 8.22 3.84 0.00 1.99 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 2.24 2.46 0.00 24 I 7.67 3.52 1.76 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.58 0.00 0.00 25 V 7.48 3.55 2.29 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 0.79 0.00 0.00 0.95 0.00 0.00 26 D 8.07 4.50 0.00 2.85 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 27 K 7.72 3.97 0.00 1.83 1.82 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.57 7.81 28 V 7.37 4.07 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 0.89 0.00 0.00 0.91 0.00 0.00 29 K 8.00 3.76 0.00 1.98 1.84 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.60 1.38 7.81 30 P 0.00 4.45 0.00 2.29 2.34 0.00 3.87 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 2.07 2.09 0.00 31 Q 7.94 4.01 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 32 L 8.31 3.73 0.00 1.61 1.52 0.18 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.26 4.24 0.00 2.23 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 2.85 2.56 0.00 34 E 7.69 3.99 0.00 2.17 2.14 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 2.33 2.35 0.00 35 K 7.56 4.29 0.00 1.76 1.93 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 36 T 8.27 4.23 4.29 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 1.28 0.00 0.00 37 N 7.73 4.42 0.00 2.86 2.95 0.00 0.00 6.91 7.92 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 38 E 7.48 4.16 0.00 1.76 1.52 0.00 0.00 0.00 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 2.03 0.00 39 T 7.82 4.22 4.11 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 0.00 0.00 0.00 1.16 0.00 0.00 40 Y 8.05 4.49 0.00 2.99 2.89 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 *43 G 8.44 4.26 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 0.00 44 K 9.00 4.27 0.00 1.73 1.77 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 45 L 8.22 4.26 0.00 1.53 1.55 0.74 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.94 4.46 0.00 2.05 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 2.28 2.28 0.00 47 A 9.43 4.31 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 48 V 9.33 3.95 2.43 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 0.97 0.00 0.00 1.11 0.00 0.00 49 Q 7.94 5.18 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 50 Y 8.84 5.35 0.00 3.28 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 51 K 8.57 4.82 0.00 1.67 1.63 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.35 7.81 52 T 8.04 4.67 4.13 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 0.87 0.00 0.00 53 Q 8.95 4.91 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 54 V 8.30 4.69 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 0.89 0.00 0.00 0.91 0.00 0.00 55 V 7.95 4.25 2.14 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 0.75 0.00 0.00 1.15 0.00 0.00 56 A 8.48 4.47 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 57 G 6.75 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 0.00 0.00 0.00 0.00 58 T 8.56 5.04 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 1.09 0.00 0.00 59 N 8.88 5.50 0.00 2.96 2.94 0.00 0.00 6.58 7.36 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 60 Y 9.24 5.04 0.00 2.81 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 61 Y 9.08 4.92 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 9.01 5.14 1.98 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 1.32 1.11 1.09 0.00 0.00 63 K 9.38 5.03 0.00 1.84 1.94 0.00 1.74 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.58 7.81 64 V 8.76 5.44 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 0.81 0.00 0.00 1.01 0.00 0.00 65 R 8.43 4.21 0.00 1.99 1.80 0.00 3.09 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.35 0.00 66 A 9.04 4.07 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 67 G 8.16 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 0.00 0.00 0.00 0.00 68 D 9.13 4.50 0.00 2.70 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 *92 N 7.98 4.95 0.00 2.79 2.94 0.00 0.00 7.20 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 93 K 7.20 4.38 0.00 1.72 1.68 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.57 7.81 94 Y 8.50 5.22 0.00 3.28 2.87 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 0.00 0.00 0.00 95 M 9.44 5.20 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.52 0.00 96 H 9.05 6.12 0.00 2.94 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.57 4.88 0.00 1.73 1.64 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.64 4.48 0.00 0.86 1.51 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.95 0.59 7.81 99 V 8.39 4.16 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 0.83 0.00 0.00 0.89 0.00 0.00 100 F 8.54 5.59 0.00 3.08 2.93 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 0.00 101 K 7.63 4.30 0.00 1.73 1.60 0.00 1.98 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.20 7.81 102 S 7.59 4.47 0.00 4.13 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 102A L 8.38 4.18 0.00 2.03 1.58 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.32 0.00 2.01 2.13 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 104 G 7.96 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 0.00 105 Q 8.02 4.10 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.26 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 105A N 8.23 4.32 0.00 2.83 2.87 0.00 0.00 7.18 8.27 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 0.00 106 E 7.41 4.06 0.00 2.33 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 2.39 2.33 0.00 107 D 8.28 4.77 0.00 2.64 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 0.00 108 L 8.15 4.89 0.00 1.50 1.51 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.42 4.42 2.25 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 1.03 0.00 0.00 1.10 0.00 0.00 110 L 8.79 4.31 0.00 1.71 1.65 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.65 4.49 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 1.23 0.00 0.00 112 G 7.82 4.35 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 0.00 113 Y 7.92 5.53 0.00 2.97 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 0.00 114 Q 8.89 4.47 0.00 1.75 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 115 V 8.43 4.48 2.15 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 0.90 0.00 0.00 0.99 0.00 0.00 115A D 8.73 4.35 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.63 4.65 0.00 1.80 1.83 0.00 1.49 0.00 0.00 0.97 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.22 7.81 117 N 8.75 4.66 0.00 2.78 2.74 0.00 0.00 6.51 6.32 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 0.00 118 K 8.41 2.75 0.00 0.79 1.57 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.06 0.95 7.81 119 D 7.70 4.58 0.00 2.65 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 0.00 120 D 7.44 4.42 0.00 2.72 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 0.00 121 E 8.51 4.30 0.00 1.91 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 2.25 2.37 0.00 122 L 8.56 4.09 0.00 1.67 1.69 1.05 0.78 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 0.00 123 T 8.63 4.69 4.35 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 1.29 0.00 0.00 124 G 8.24 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 0.00 125 F 8.45 4.55 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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.