NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5138 8.1749 117.3732 63.6998 70.0980 172.9347 2 T 4.6095 9.0712 121.3117 60.0610 72.1274 171.4870 3 I 5.1311 9.2256 120.6800 59.3852 41.3078 174.5407 4 V 4.6516 8.9260 116.8402 59.9206 36.5662 174.3418 5 G 4.5334 8.5306 108.0720 44.7659 0.0000 172.4223 6 V 4.5803 9.0355 123.3960 61.2098 34.9653 174.5086 7 K 4.6129 8.8366 127.7441 55.9270 33.2041 175.9968 8 F 5.1136 8.2409 116.3423 54.7327 41.1124 175.7888 9 N 4.1444 8.7606 118.8015 55.7703 37.1574 174.7319 10 N 4.9107 8.4200 115.9236 51.4787 40.2709 174.5083 11 G 3.4818 5.8293 104.2915 45.3866 0.0000 172.5633 12 V 4.8856 7.7985 118.2818 59.9833 34.6997 174.4595 13 V 4.7517 8.9131 120.8225 59.9893 34.5105 174.3611 14 I 5.1625 8.4315 115.8176 59.4011 40.7492 173.9358 15 A 4.8313 8.8390 124.0242 51.2780 23.1975 174.4979 16 A 5.0247 8.1111 118.7623 51.1446 22.1689 175.9698 17 D 4.7377 8.5263 120.5708 52.7658 41.5368 176.1898 18 T 4.7546 8.2312 105.4527 61.4738 70.1004 173.0281 19 R 4.9032 8.4875 122.4007 55.9592 31.4851 175.4093 20 S 4.8902 8.9629 120.5220 56.6733 65.1581 172.7091 21 T 5.1225 8.6185 116.1049 60.0271 72.2544 173.6472 22 Q 4.3427 9.2099 122.5560 53.6438 30.8384 176.2797 23 G 3.6516 8.7387 117.0864 46.5150 0.0000 171.5591 24 P 4.5916 0.0000 0.0000 62.5154 31.9236 175.4231 25 I 4.1780 7.7311 121.5616 59.9975 38.3051 175.1652 26 V 4.2887 8.2338 124.8663 62.0342 31.2014 175.5526 27 A 4.1093 8.9217 131.7182 54.4253 18.4507 176.9213 28 D 4.8622 7.8353 115.2302 52.4963 43.2887 176.1211 29 K 4.3034 8.6986 124.9626 57.6732 33.1026 176.5997 30 N 5.2116 8.1640 118.3135 52.4212 37.9538 173.0266 31 C 4.7553 8.6324 114.6959 57.4321 31.9137 174.1816 32 A 4.7195 8.4334 120.4808 50.4145 20.2187 176.3296 33 K 4.2734 8.8423 121.0345 56.8954 33.8336 176.1687 34 L 5.0668 7.7963 120.9823 53.9078 42.4697 175.5584 35 H 5.0320 9.3012 121.4700 53.8800 32.5827 173.0233 36 R 3.5707 7.8743 119.9340 54.7467 30.8603 175.7719 37 I 4.0735 8.3682 126.7474 62.6701 38.5996 175.8333 38 S 4.5618 7.3429 112.1626 56.0338 65.8561 172.8965 39 P 4.3187 0.0000 0.0000 65.4934 31.1757 178.0344 40 K 4.7812 8.1291 115.4965 55.9842 32.8626 175.2815 41 I 4.9657 8.2055 120.2950 59.7762 40.3837 174.5686 42 W 5.0926 9.1427 126.8647 54.9790 32.6642 174.9066 43 C 5.5158 9.7307 119.6909 57.9899 31.6608 172.8481 44 A 5.1588 9.0921 123.9189 50.1573 21.1538 175.5006 45 G 4.5643 8.8292 109.7221 44.5035 0.0000 172.5219 46 A 4.7795 9.4891 123.5317 50.3274 22.9163 175.1666 47 G 4.0834 9.0714 103.5168 44.7158 0.0000 176.2555 48 T 4.1213 9.6923 124.4340 62.6787 68.4460 174.8400 49 A 3.9980 9.0381 129.3831 55.5561 18.2076 178.8767 50 A 3.9452 8.0388 118.2788 55.3292 18.2887 179.5569 51 D 4.2261 7.8866 117.1361 57.6294 41.1329 178.7400 52 T 3.8418 8.0536 110.4669 64.8033 68.7023 175.9456 53 E 3.6168 8.2883 121.9879 58.9055 29.7314 178.7156 54 A 3.9886 8.1856 121.2579 55.0313 18.4588 179.9822 55 V 3.5976 8.0896 118.0719 65.1220 31.6851 178.8904 56 T 3.8905 7.8816 116.5056 66.3931 68.2246 176.7542 57 Q 3.9891 7.9212 119.6009 58.3113 28.7959 178.2227 58 L 3.8467 7.8311 121.4598 58.4169 42.2687 179.2670 59 I 3.8271 7.7196 119.6417 64.0025 36.9531 178.8114 60 G 3.5249 7.8617 106.6724 47.6224 0.0000 175.7096 61 S 4.0682 8.4073 116.1129 61.3611 62.3911 176.1243 62 N 4.3786 8.2257 119.0636 56.3185 38.2190 177.5514 63 I 3.6945 8.3260 121.7662 64.0459 37.0234 178.1285 64 E 3.9147 8.2868 120.2378 59.4030 29.5765 178.8395 65 L 3.9982 7.8931 119.0420 58.0965 41.5410 179.1172 66 H 4.1371 8.5851 118.5162 59.0665 29.8153 177.2534 67 S 4.1829 8.2658 114.9560 61.5627 62.0861 176.0910 68 L 4.0212 7.9442 120.3953 58.0881 41.4269 178.7114 69 Y 4.1038 8.1090 118.7855 60.2439 38.8870 176.9833 70 T 4.3483 8.2197 108.1504 60.8899 69.6046 174.6762 71 S 3.7878 8.1238 116.6822 59.8251 61.0153 171.8517 72 R 4.7786 7.7150 115.9750 54.0203 33.9588 175.1540 73 E 4.2327 8.5041 118.8462 55.5073 30.1735 175.6401 74 P 4.4647 0.0000 0.0000 62.6740 32.3690 176.0279 75 R 4.8103 8.1708 120.0082 54.3121 32.6442 177.4017 76 V 3.6033 8.9046 121.8046 66.5141 31.5099 179.1082 77 V 3.6625 7.8406 111.1796 64.2708 31.2914 178.6849 78 S 4.0757 8.0696 115.0837 61.4595 62.7580 176.4250 79 A 4.0010 7.9053 122.9670 54.8787 18.1135 179.3203 80 L 3.9151 8.1029 119.2337 58.2885 42.1661 179.0000 81 Q 3.9558 8.1043 119.6529 59.3955 28.6648 177.9934 82 M 4.1012 8.1802 119.8278 58.1423 31.8607 178.8432 83 L 4.0471 8.1031 119.4871 57.6829 41.8305 179.6639 84 K 4.0278 8.1984 118.8631 60.2012 32.3861 179.2169 85 Q 4.1223 8.2116 119.0806 58.4196 28.3371 178.1604 86 H 4.3155 7.8068 118.6198 59.3375 29.9980 176.9687 87 L 4.1751 8.3127 121.1506 57.6411 41.3821 179.2997 88 F 3.9967 8.7059 121.1002 61.1919 39.1565 176.8951 89 K 3.7890 7.7446 117.9030 59.5031 32.0552 177.1144 90 Y 4.2698 7.5592 114.9105 56.7809 38.0342 175.6920 91 Q 2.8643 7.7869 118.1676 56.8499 26.4720 175.9546 *93 G 4.0735 7.7893 104.6761 45.3950 0.0000 175.0137 94 H 4.2675 8.5932 117.1009 57.7164 28.8677 175.6208 95 I 4.1575 6.9032 117.2615 59.7071 36.7936 176.9637 96 G 4.0698 8.9903 118.7104 45.9997 0.0000 171.0320 97 A 5.1227 7.3802 119.7099 50.3340 21.8018 177.1423 98 Y 4.5845 9.0022 120.2018 56.2347 41.0190 174.9091 99 L 5.4227 8.7031 123.1884 52.9189 46.2069 176.2269 100 I 4.5709 8.7893 122.4892 59.7094 39.6338 174.8705 101 V 4.8570 8.5308 127.0457 59.9459 33.3927 174.8280 102 A 4.8264 10.1139 126.0330 49.5061 23.2677 174.5696 103 G 4.6535 7.7674 107.5961 44.7935 0.0000 172.3347 104 V 4.5547 7.6929 113.5640 59.5804 34.4345 176.1534 105 D 4.2607 8.3769 120.9816 53.9553 38.9090 175.0712 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 1 T 8.17 4.51 4.24 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 1.22 0.00 0.00 2 T 9.07 4.61 4.24 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 1.21 0.00 0.00 3 I 9.23 5.13 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.94 0.00 0.00 4 V 8.93 4.65 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 0.72 0.00 0.00 0.94 0.00 0.00 5 G 8.53 4.53 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 0.00 6 V 9.04 4.58 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 1.06 0.00 0.00 0.96 0.00 0.00 7 K 8.84 4.61 0.00 1.79 1.66 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.36 7.81 8 F 8.24 5.11 0.00 3.18 3.09 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 9 N 8.76 4.14 0.00 2.88 3.08 0.00 0.00 5.74 8.04 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 10 N 8.42 4.91 0.00 2.72 2.91 0.00 0.00 7.07 7.67 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 11 G 5.83 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.80 4.89 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 0.83 0.00 0.00 1.03 0.00 0.00 13 V 8.91 4.75 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 1.10 0.00 0.00 0.92 0.00 0.00 14 I 8.43 5.16 1.92 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 1.31 0.77 0.97 0.00 0.00 15 A 8.84 4.83 1.21 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 0.00 0.00 16 A 8.11 5.02 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 17 D 8.53 4.74 0.00 2.72 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 18 T 8.23 4.75 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 1.22 0.00 0.00 19 R 8.49 4.90 0.00 1.85 2.04 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 S 8.96 4.89 0.00 3.92 3.75 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 21 T 8.62 5.12 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 1.21 0.00 0.00 22 Q 9.21 4.34 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.83 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 23 G 8.74 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 24 P 0.00 4.59 0.00 2.19 2.16 0.00 3.76 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 1.95 1.97 0.00 25 I 7.73 4.18 1.99 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 1.18 0.45 0.91 0.00 0.00 26 V 8.23 4.29 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 0.83 0.00 0.00 0.93 0.00 0.00 27 A 8.92 4.11 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 28 D 7.84 4.86 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.70 4.30 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.16 5.21 0.00 2.70 2.69 0.00 0.00 7.16 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 31 C 8.63 4.76 0.00 3.06 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 32 A 8.43 4.72 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 33 K 8.84 4.27 0.00 1.73 1.99 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.47 7.81 34 L 7.80 5.07 0.00 1.60 1.89 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.30 5.03 0.00 2.95 3.06 0.00 5.59 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 36 R 7.87 3.57 0.00 0.67 1.07 0.00 3.07 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.95 0.00 37 I 8.37 4.07 1.95 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 1.30 0.64 0.86 0.00 0.00 38 S 7.34 4.56 0.00 3.93 3.88 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 39 P 0.00 4.32 0.00 2.12 2.28 0.00 3.64 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 2.07 2.17 0.00 40 K 8.13 4.78 0.00 1.86 1.86 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 I 8.21 4.97 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 1.02 0.00 0.00 42 W 9.14 5.09 0.00 3.31 3.19 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 0.00 43 C 9.73 5.52 0.00 2.80 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 44 A 9.09 5.16 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 45 G 8.83 4.56 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 46 A 9.49 4.78 1.23 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 0.00 0.00 0.00 47 G 9.07 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 48 T 9.69 4.12 4.38 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 1.22 0.00 0.00 49 A 9.04 4.00 1.34 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 50 A 8.04 3.95 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 51 D 7.89 4.23 0.00 2.91 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 52 T 8.05 3.84 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 1.39 0.00 0.00 53 E 8.29 3.62 0.00 2.10 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 2.25 2.43 0.00 54 A 8.19 3.99 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 55 V 8.09 3.60 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 0.82 0.00 0.00 0.95 0.00 0.00 56 T 7.88 3.89 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 1.14 0.00 0.00 57 Q 7.92 3.99 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 58 L 7.83 3.85 0.00 1.80 1.55 0.88 0.95 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 59 I 7.72 3.83 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.19 0.87 0.00 0.00 60 G 7.86 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.41 4.07 0.00 3.87 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 62 N 8.23 4.38 0.00 2.75 2.82 0.00 0.00 7.11 6.68 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 63 I 8.33 3.69 2.06 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 1.48 0.99 0.90 0.00 0.00 64 E 8.29 3.91 0.00 2.03 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 2.31 2.35 0.00 65 L 7.89 4.00 0.00 1.91 1.73 0.92 1.07 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 66 H 8.59 4.14 0.00 3.24 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.27 4.18 0.00 4.06 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 68 L 7.94 4.02 0.00 1.92 1.76 0.93 1.19 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 69 Y 8.11 4.10 0.00 3.06 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 70 T 8.22 4.35 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 1.20 0.00 0.00 71 S 8.12 3.79 0.00 4.04 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 72 R 7.72 4.78 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 73 E 8.50 4.23 0.00 1.98 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 2.33 2.29 0.00 74 P 0.00 4.46 0.00 2.05 1.99 0.00 3.67 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 2.13 0.00 75 R 8.17 4.81 0.00 1.85 1.81 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 8.90 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 1.05 0.00 0.00 1.06 0.00 0.00 77 V 7.84 3.66 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 0.74 0.00 0.00 0.93 0.00 0.00 78 S 8.07 4.08 0.00 4.05 3.81 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 A 7.91 4.00 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 80 L 8.10 3.92 0.00 1.91 1.85 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.10 3.96 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 82 M 8.18 4.10 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 83 L 8.10 4.05 0.00 1.89 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.20 4.03 0.00 2.01 2.15 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.53 7.81 85 Q 8.21 4.12 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 86 H 7.81 4.32 0.00 3.27 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.31 4.18 0.00 1.76 1.69 0.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.71 4.00 0.00 3.24 3.08 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 89 K 7.74 3.79 0.00 1.87 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.86 1.30 7.81 90 Y 7.56 4.27 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 91 Q 7.79 2.86 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.46 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 *93 G 7.79 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.59 4.27 0.00 3.31 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.90 4.16 1.79 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.55 0.87 0.00 0.00 96 G 8.99 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.38 5.12 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 98 Y 9.00 4.58 0.00 3.10 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 99 L 8.70 5.42 0.00 1.51 1.57 0.93 0.90 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 0.00 100 I 8.79 4.57 1.92 0.00 0.00 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 1.33 0.81 0.96 0.00 0.00 101 V 8.53 4.86 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 0.74 0.00 0.00 0.96 0.00 0.00 102 A 10.11 4.83 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 0.00 103 G 7.77 4.65 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 0.00 104 V 7.69 4.55 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 0.75 0.00 0.00 0.97 0.00 0.00 105 D 8.38 4.26 0.00 2.81 2.64 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 * Residues marked with a * may have inaccurate shift predictions.