NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7241 8.2676 119.2098 52.5784 39.1192 174.4397 6 P 4.1855 0.0000 0.0000 64.1742 31.1340 176.5581 7 L 4.1146 8.2017 120.6967 57.9768 42.4701 179.4080 8 E 3.8278 8.2968 119.2032 59.2819 29.6193 178.7284 9 A 4.2933 8.0690 120.3142 55.2173 18.5053 179.4654 10 Q 3.9452 8.2435 116.4738 58.9901 28.7618 178.7278 11 A 3.8981 8.1656 122.0816 55.0603 18.4154 179.7398 12 W 4.2205 8.1276 117.1215 59.8972 28.8927 178.6135 13 A 4.3722 7.9070 121.0880 54.6269 18.1424 179.4249 14 L 4.1058 8.0838 117.4660 58.0369 41.7496 179.8058 15 L 4.0810 8.1647 118.7905 57.4158 41.5756 178.6510 16 E 4.3739 8.5177 116.9197 57.3730 29.2061 177.5290 17 A 4.8151 7.7287 121.0573 51.8028 20.1127 176.4895 18 V 4.3246 7.6470 118.0869 61.7379 32.8493 174.3077 19 Y 4.9885 8.6992 125.4483 56.1927 40.5380 174.8902 20 D 4.5845 8.8142 123.7573 52.8592 41.6423 175.3243 21 P 4.2809 0.0000 0.0000 65.8889 31.3933 177.5074 22 E 4.1545 8.4784 117.8260 58.1094 29.9173 177.3958 23 L 4.5309 8.1150 116.4891 53.4757 43.2709 176.8629 24 G 4.4738 8.3759 106.5129 46.4299 0.0000 173.4806 25 L 4.9075 7.2662 115.4935 51.4847 45.9839 176.3035 26 D 4.2892 7.5989 120.4084 52.9547 41.5902 177.9106 27 V 3.5236 8.1419 114.5351 64.3169 31.4393 179.3999 28 V 3.6749 7.6983 117.6664 66.2569 31.5900 177.8032 29 N 4.4362 8.7308 116.0476 55.6824 38.1093 177.0882 30 L 4.2622 7.7080 119.4518 55.3818 41.7851 177.5627 31 G 4.1437 7.8823 105.9709 47.3464 0.0000 174.5898 32 L 3.9493 7.9400 120.2902 55.5203 42.0017 177.1980 33 I 4.1449 7.6368 119.7530 60.4726 37.3211 174.7711 34 Y 4.8582 8.7730 124.8200 60.3306 38.8083 175.8258 35 D 4.8987 7.9142 116.3927 53.1305 45.0981 174.1946 36 L 4.8886 8.4126 125.7910 53.7869 45.1980 175.0287 37 V 4.3893 9.4239 126.3820 61.1352 34.7683 174.1286 38 V 4.4983 8.6043 127.8393 61.4144 33.2288 174.8795 39 E 4.5254 9.0620 128.3070 52.9055 30.5247 172.7134 40 P 4.3625 0.0000 0.0000 62.0635 32.1219 174.0681 41 P 5.6240 0.0000 0.0000 62.5334 32.7062 174.8528 42 R 5.1682 8.3194 119.9910 55.1774 33.5661 173.8971 43 A 5.1631 9.1516 126.5629 50.2726 22.5169 174.2648 44 Y 5.3201 9.4405 123.2537 55.6934 42.5016 174.6625 45 V 4.4902 7.9718 124.8038 59.9044 35.0716 173.9769 46 R 5.0076 8.4112 124.4104 53.9549 32.9890 175.0556 *48 T 4.0632 8.0712 117.3594 61.9764 68.2476 172.0641 49 L 4.6430 7.8777 121.1148 52.7991 44.6051 176.9642 50 T 3.6471 7.9789 109.0095 62.7235 69.2375 174.6898 51 T 4.8072 7.4090 111.4823 58.9404 71.9066 171.8663 52 P 3.7017 0.0000 0.0000 63.3166 32.1314 176.3997 53 G 3.9114 7.4572 106.3064 46.1822 0.0000 172.9175 54 C 4.5259 8.3910 120.0605 58.2830 28.9232 172.2390 55 P 4.6411 0.0000 0.0000 61.8915 32.0670 176.4006 56 L 4.0482 8.4544 119.0439 57.3751 41.7138 177.4106 57 H 4.7050 7.8930 114.4964 53.5277 31.4622 174.0544 58 D 4.6376 8.3844 126.2011 52.8550 38.5420 176.2005 59 S 4.1157 8.0083 120.1401 60.9960 63.3370 175.6871 60 L 3.9859 7.8562 122.6898 58.1413 42.0057 179.1247 61 G 3.6734 8.3593 107.0318 47.1128 0.0000 175.3256 62 E 3.9192 8.3106 121.4717 59.0227 29.6787 178.7615 63 A 3.9459 8.1927 121.0615 55.0604 18.4230 179.8273 64 V 3.4704 7.8298 116.8419 65.9371 31.6507 178.2317 65 R 3.8112 7.9953 118.4477 59.6235 29.7307 178.5112 66 Q 3.9691 8.0886 116.4721 58.7952 28.8887 178.4242 67 A 4.1149 8.0695 121.7421 55.2881 18.5092 179.7516 68 L 4.0301 7.9720 117.3158 57.2130 41.4784 179.1713 69 S 4.3496 7.7591 112.6034 59.9436 63.1911 175.5568 70 R 4.2372 7.5059 120.4799 56.0321 30.7216 176.5019 71 L 4.1334 7.3550 121.2915 53.3905 42.2223 174.8078 72 P 4.4300 0.0000 0.0000 64.2266 31.8132 176.6871 73 G 3.8918 9.0581 110.6877 45.0822 0.0000 172.7249 74 V 4.2710 7.3395 119.8351 62.1300 31.7735 175.0432 75 E 4.6646 8.8160 126.3885 56.2459 31.7876 175.9652 76 E 4.6503 8.0105 120.3116 54.2395 33.3147 173.9227 77 V 4.7893 8.5098 126.1487 61.0901 34.1741 173.8685 78 E 4.4891 9.3542 130.0365 54.7033 31.3065 174.6873 79 V 4.4443 8.3595 127.9333 61.3874 32.9757 174.5380 80 E 4.4320 8.9056 129.6083 54.9740 31.0510 175.4891 81 V 4.2074 8.2175 125.3671 61.4480 32.7256 174.7030 82 T 4.5060 8.0359 120.8716 60.4838 70.6922 173.2589 83 F 4.9641 8.6312 119.3919 56.9385 39.7606 175.2814 84 E 4.6420 8.4052 121.0451 53.8748 30.6058 174.2746 85 P 4.6840 0.0000 0.0000 60.9826 32.6130 174.3356 86 P 4.7617 0.0000 0.0000 62.3704 32.0603 175.9916 87 W 4.6504 8.9196 131.2206 57.3507 31.8274 175.0356 88 T 4.1006 6.7291 112.0236 59.5479 71.3655 174.6220 89 L 3.6368 7.7508 121.0439 56.9827 41.7075 179.3798 90 A 4.1069 7.2601 120.4184 54.3992 17.9850 178.3059 91 R 4.3293 7.6047 114.1073 56.2350 30.5612 176.6449 92 L 4.3005 7.5980 119.3732 54.6433 42.3690 177.2719 93 S 4.4983 8.7157 117.6263 57.4668 64.3360 175.3004 94 E 3.9266 8.6978 119.6139 59.3989 29.0214 179.4142 95 K 3.8380 8.0106 118.8958 59.5357 32.3028 178.3521 96 A 3.8611 7.9441 120.9102 55.3333 18.3461 179.8706 97 R 3.3899 7.7034 116.0306 58.7981 29.7904 179.6552 98 R 3.9108 7.3239 117.4957 59.2816 30.2976 178.4569 99 L 4.0839 7.7510 117.3992 57.8380 41.6033 179.4413 100 L 4.1023 7.4767 118.2571 58.2459 41.6788 176.9955 101 G 3.6439 7.7855 107.5458 45.3353 0.0000 173.7692 102 W 4.6196 8.5276 124.7319 57.4028 29.0479 175.7291 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 5 N 8.27 4.72 0.00 2.84 2.84 0.00 0.00 6.82 6.82 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 6 P 0.00 4.19 0.00 2.40 2.32 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 7 L 8.20 4.11 0.00 1.85 1.77 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.30 3.83 0.00 2.16 2.16 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 2.51 2.59 0.00 9 A 8.07 4.29 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 10 Q 8.24 3.95 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 11 A 8.17 3.90 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 12 W 8.13 4.22 0.00 3.58 3.17 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 13 A 7.91 4.37 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 14 L 8.08 4.11 0.00 1.87 1.71 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.16 4.08 0.00 1.90 1.73 0.57 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.52 4.37 0.00 2.23 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 2.34 2.58 0.00 17 A 7.73 4.82 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 18 V 7.65 4.32 2.16 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 0.92 0.00 0.00 0.92 0.00 0.00 19 Y 8.70 4.99 0.00 2.79 2.85 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 0.00 0.00 0.00 20 D 8.81 4.58 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.28 0.00 2.21 2.19 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 22 E 8.48 4.15 0.00 2.15 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 0.00 2.35 2.27 0.00 23 L 8.11 4.53 0.00 1.67 1.71 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.38 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.27 4.91 0.00 1.68 1.41 0.85 0.95 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 26 D 7.60 4.29 0.00 2.54 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 0.00 0.00 0.00 27 V 8.14 3.52 1.97 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 0.75 0.00 0.00 0.91 0.00 0.00 28 V 7.70 3.67 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 1.03 0.00 0.00 1.20 0.00 0.00 29 N 8.73 4.44 0.00 2.79 2.78 0.00 0.00 7.14 6.64 0.00 0.00 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 L 7.71 4.26 0.00 1.80 1.72 0.82 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.88 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 32 L 7.94 3.95 0.00 1.61 1.57 0.59 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.64 4.14 2.22 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.93 0.91 0.00 0.00 34 Y 8.77 4.86 0.00 2.99 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 35 D 7.91 4.90 0.00 2.92 2.61 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 0.00 0.00 0.00 0.00 36 L 8.41 4.89 0.00 1.23 1.23 0.62 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.42 4.39 2.23 0.00 0.00 0.00 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 1.04 0.00 0.00 38 V 8.60 4.50 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 0.85 0.00 0.00 0.82 0.00 0.00 39 E 9.06 4.53 0.00 2.00 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 2.25 0.00 40 P 0.00 4.36 0.00 2.03 2.15 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 41 P 0.00 5.62 0.00 2.10 2.24 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 42 R 8.32 5.17 0.00 1.86 1.76 0.00 3.02 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 43 A 9.15 5.16 1.16 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 0.00 0.00 44 Y 9.44 5.32 0.00 2.88 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 45 V 7.97 4.49 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 0.59 0.00 0.00 0.72 0.00 0.00 46 R 8.41 5.01 0.00 1.79 1.82 0.00 3.29 0.00 0.00 3.37 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 *48 T 8.07 4.06 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 0.98 0.00 0.00 49 L 7.88 4.64 0.00 1.94 1.52 0.99 0.71 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 50 T 7.98 3.65 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 0.23 0.00 0.00 51 T 7.41 4.81 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 1.30 0.00 0.00 52 P 0.00 3.70 0.00 1.98 1.91 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 1.92 1.92 0.00 53 G 7.46 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 54 C 8.39 4.53 0.00 3.04 2.95 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 55 P 0.00 4.64 0.00 2.34 2.08 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 56 L 8.45 4.05 0.00 1.72 1.75 0.95 0.99 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 57 H 7.89 4.71 0.00 3.04 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.38 4.64 0.00 2.76 2.53 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 59 S 8.01 4.12 0.00 3.89 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 60 L 7.86 3.99 0.00 1.69 1.58 0.86 0.89 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 61 G 8.36 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 62 E 8.31 3.92 0.00 2.15 2.11 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 2.29 2.35 0.00 63 A 8.19 3.95 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 64 V 7.83 3.47 2.13 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 0.86 0.00 0.00 0.89 0.00 0.00 65 R 8.00 3.81 0.00 1.97 2.03 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 66 Q 8.09 3.97 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 67 A 8.07 4.11 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 68 L 7.97 4.03 0.00 1.65 1.65 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.76 4.35 0.00 4.04 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 70 R 7.51 4.24 0.00 1.95 2.00 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 71 L 7.35 4.13 0.00 1.78 1.56 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.43 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 73 G 9.06 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 74 V 7.34 4.27 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 0.78 0.00 0.00 0.91 0.00 0.00 75 E 8.82 4.66 0.00 1.84 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 2.23 2.35 0.00 76 E 8.01 4.65 0.00 1.98 1.72 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 2.27 2.28 0.00 77 V 8.51 4.79 2.05 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 0.78 0.00 0.00 0.90 0.00 0.00 78 E 9.35 4.49 0.00 2.11 1.97 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 2.37 2.34 0.00 79 V 8.36 4.44 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 0.73 0.00 0.00 0.83 0.00 0.00 80 E 8.91 4.43 0.00 1.77 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 2.37 2.65 0.00 81 V 8.22 4.21 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 0.43 0.00 0.00 0.87 0.00 0.00 82 T 8.04 4.51 4.23 0.00 0.00 0.00 0.00 0.00 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 83 F 8.63 4.96 0.00 3.15 3.05 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 84 E 8.41 4.64 0.00 2.01 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 2.31 2.32 0.00 85 P 0.00 4.68 0.00 2.18 2.01 0.00 3.23 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 86 P 0.00 4.76 0.00 2.33 2.23 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 87 W 8.92 4.65 0.00 3.40 3.35 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 88 T 6.73 4.10 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 1.13 0.00 0.00 89 L 7.75 3.64 0.00 1.70 1.98 1.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.26 4.11 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.60 4.33 0.00 1.94 2.13 0.00 3.27 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 92 L 7.60 4.30 0.00 1.81 1.51 1.28 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.72 4.50 0.00 3.93 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 94 E 8.70 3.93 0.00 2.05 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 2.39 2.42 0.00 95 K 8.01 3.84 0.00 1.77 1.91 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 96 A 7.94 3.86 1.27 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 0.00 0.00 0.00 97 R 7.70 3.39 0.00 2.06 2.07 0.00 3.19 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 98 R 7.32 3.91 0.00 1.70 1.97 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 99 L 7.75 4.08 0.00 1.69 1.70 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.48 4.10 0.00 0.86 1.35 -0.41 0.57 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 0.00 101 G 7.79 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.53 4.62 0.00 3.37 3.10 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.