NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2764 8.1593 117.3738 63.5447 69.8290 173.9725 2 S 4.4410 8.3117 121.0469 55.9392 66.4040 173.4391 3 K 4.0134 9.1953 123.6822 59.6644 32.3424 179.7365 4 K 3.8594 8.0859 118.1537 59.6186 31.8397 178.9769 5 K 4.0791 7.7096 117.5707 58.5376 32.1299 177.8441 6 R 4.4217 7.5776 116.1713 56.5752 30.5651 177.6426 7 Q 4.1631 7.9821 119.5052 56.9862 28.4851 176.0248 8 R 3.9805 7.5171 119.2345 58.2403 30.1601 176.2823 9 G 4.1263 9.0338 111.6642 45.6765 0.0000 174.5155 10 S 4.1177 7.9902 113.5286 59.0737 63.1192 174.0007 11 R 4.1566 7.8607 124.5053 56.8485 29.3045 176.4074 12 T 4.2426 7.6017 105.1450 61.5168 69.8362 174.1748 13 H 4.3704 8.4243 117.9679 55.9879 26.8347 175.6711 14 G 3.9132 8.3935 103.9953 45.9857 0.0000 174.7807 15 G 3.8033 8.3365 107.8657 45.4009 0.0000 176.2331 16 G 3.8907 7.9234 106.5026 44.7050 0.0000 173.4097 17 S 4.1588 8.6267 116.2297 58.8862 62.7245 175.1170 18 H 4.4364 8.8718 120.5653 56.9583 28.2279 175.8105 19 K 4.1498 7.7222 119.0329 56.9091 32.2133 177.5959 20 N 4.3635 7.7593 117.3144 56.2118 38.8327 177.3237 21 R 4.2373 7.4157 121.2771 55.7989 29.1952 177.7201 22 R 4.5908 7.4361 123.2837 56.2613 31.2782 179.5581 23 G 4.0144 8.5074 122.0367 46.1268 0.0000 173.7569 24 A 4.2512 8.6676 120.6025 54.3632 18.4106 179.8599 25 G 3.6604 8.1301 104.4455 48.0716 0.0000 174.8174 26 H 4.5355 8.0470 118.1471 57.6966 28.6509 175.7371 27 R 4.4213 8.0905 118.5995 55.6900 30.9114 176.3199 28 G 4.0335 8.8292 105.5108 46.9100 0.0000 174.0242 29 G 4.1025 7.2469 105.2194 44.0253 0.0000 174.6579 30 R 4.2726 8.5809 118.5015 56.2306 32.0343 177.5338 31 G 3.8191 8.2222 109.1090 47.5135 0.0000 174.1147 32 D 4.7550 8.4228 117.5636 54.1153 41.3799 176.0700 33 A 3.9686 7.4400 122.5329 53.6269 19.0819 179.0331 34 G 3.7431 8.9524 109.7351 45.5415 0.0000 175.2645 35 R 3.9974 7.5942 117.3497 57.7058 29.2111 177.2704 36 D 5.0927 7.9098 115.6769 52.7573 40.9683 175.7210 37 K 4.4550 8.9161 118.0969 56.9250 32.3560 178.2876 38 H 4.6341 9.8630 123.9661 58.5530 27.9234 176.1564 39 E 4.7040 7.2904 119.0769 55.4825 30.1680 178.1835 40 F 4.9963 8.1557 115.4686 59.2849 38.3841 175.0815 41 H 3.6155 5.8456 115.9258 57.4559 28.7046 174.5293 42 N 4.2662 8.8479 119.1082 54.3902 36.0820 173.4722 43 H 4.8204 7.6564 114.8645 53.8256 30.4929 175.1786 44 E 4.1511 8.5563 122.2053 55.7886 29.9473 175.4254 45 P 4.5428 0.0000 0.0000 62.1989 32.3102 176.2157 46 L 4.1184 8.0509 119.4070 55.1448 42.2144 175.9002 47 G 4.0642 8.2789 106.1757 44.1851 0.0000 173.4864 48 K 4.5972 8.1174 118.6358 55.0137 34.1805 176.4104 49 S 4.4219 8.5184 113.8608 58.3155 65.4534 176.0762 50 G 3.9997 9.1733 117.1614 45.5230 0.0000 171.5652 51 F 4.9213 8.0607 112.8166 55.8840 40.7260 173.0876 52 K 4.3133 8.4030 119.1297 54.4960 35.1864 176.5160 53 R 4.6483 8.1169 121.0165 54.0278 31.7996 174.7539 54 P 4.3854 0.0000 0.0000 62.9079 31.7123 177.5009 55 Q 4.0141 8.8199 120.8358 58.6310 28.7557 177.5444 56 K 4.4215 7.9724 114.9116 56.6701 32.7514 176.8154 57 V 4.3740 7.8815 116.5629 62.7949 32.1200 174.7340 58 Q 4.6697 7.9193 116.6305 54.2247 30.5215 174.6209 59 E 4.7300 8.5527 121.1552 54.6635 31.7581 175.3029 60 E 4.4759 8.1707 122.8706 54.1150 31.8281 174.7795 61 A 3.6608 8.2745 128.5630 51.3643 19.7321 176.2998 62 A 4.5018 8.7120 123.6710 50.7801 20.4465 176.7744 63 T 5.3779 8.0431 112.0064 60.3600 71.7725 173.8274 64 I 4.2985 7.7185 118.8351 60.3155 41.5004 172.6537 65 D 5.1593 8.5157 128.4073 53.3720 42.4503 177.7316 66 V 3.6191 8.5971 116.0183 64.8697 31.5703 178.8134 67 R 3.8728 7.7931 118.0174 59.5593 29.5670 178.1176 68 E 3.8627 7.9895 117.5063 59.4238 30.0154 178.4067 69 I 3.7684 7.7144 119.2437 64.6074 36.7243 177.5141 70 D 4.3627 8.7021 118.8319 57.6948 40.8387 178.2183 71 E 4.2239 8.1381 117.0676 57.9523 29.5692 177.2650 72 N 4.9199 7.8517 116.0084 52.8874 39.1265 176.5332 73 V 3.1995 6.9498 111.3230 65.0309 31.9390 177.7176 74 T 4.0244 7.6151 109.5728 64.8714 68.7320 175.3713 75 L 4.0844 7.8946 120.6324 57.4443 40.8069 177.9911 76 L 4.3254 7.9744 119.5502 54.2418 41.1863 178.7397 77 A 4.2958 8.0058 123.2888 55.3328 18.8267 179.7261 78 A 4.6206 7.3015 117.2355 52.1905 17.9571 176.7596 79 D 4.7675 8.6452 118.4127 55.4878 45.3501 175.2820 80 D 4.1981 7.7598 121.1498 49.0284 42.4232 175.7862 81 V 4.3399 8.3085 120.8092 61.6519 33.3638 173.8991 82 A 4.8221 8.0432 135.0000 50.5077 20.7855 176.1202 83 E 3.7371 8.8417 111.9122 59.5901 29.6519 176.8783 *89 F 4.5332 7.7292 117.4774 57.4728 41.1147 173.3470 90 R 5.1874 8.3759 120.8525 54.6823 31.8883 175.6306 91 V 4.4795 8.7376 125.3687 60.2470 35.2739 173.6843 92 D 4.9824 8.7997 124.9002 52.9104 41.3949 176.5391 93 V 3.5777 8.6897 127.9895 66.0771 31.7273 178.4867 94 R 4.0555 8.0119 117.8211 59.0761 29.9292 177.0154 95 D 4.7534 8.1827 115.7408 54.2103 41.0424 176.5044 96 V 4.1169 7.9774 119.5042 64.1773 33.1982 176.5157 97 V 3.6418 7.6192 118.8997 62.5904 31.3325 175.4506 98 E 4.1193 8.6292 126.5228 56.8946 29.9798 176.7641 99 E 3.9502 8.8762 116.1552 57.2792 27.1449 176.6552 100 A 4.0398 7.5180 121.7847 54.7074 18.5398 179.4267 101 D 4.5093 7.4193 117.5253 57.2959 41.2423 179.5745 102 D 4.7049 7.8990 116.6610 53.3882 38.9148 175.7137 103 A 4.7510 8.1390 121.6411 51.2457 21.7135 177.0556 104 D 4.7369 8.2149 119.6986 56.4767 41.7001 176.1232 105 Y 4.7484 7.0857 114.3560 56.4962 40.8278 172.6170 106 V 4.7866 9.2763 121.1944 61.1490 33.9135 174.2871 107 K 4.7241 9.0115 129.0713 54.5671 35.5772 174.5528 108 V 4.5327 8.3976 127.6687 61.7068 33.1077 174.8052 109 L 4.8705 9.4251 128.7929 52.6603 44.4809 176.6857 110 G 4.4642 8.2714 106.9664 45.8795 0.0000 173.8421 111 A 4.4066 7.8018 121.2492 51.9459 20.5603 178.3503 112 G 3.9215 8.9461 109.1908 44.2036 0.0000 172.0161 113 Q 4.5956 8.2538 117.8037 54.0805 31.7184 175.6023 114 V 4.3293 7.8851 117.5955 61.7769 32.3888 174.4113 115 R 4.5374 8.3697 126.7662 55.8811 30.3915 176.4430 116 H 4.9847 7.6865 112.8540 54.3650 32.8003 172.7526 117 E 4.6625 8.6663 119.9484 55.3175 30.4879 175.8216 118 L 5.1797 8.6051 123.3381 53.1018 46.5370 175.7315 119 T 5.0120 9.0041 119.2273 62.1303 70.7473 172.8064 120 L 5.2402 8.4983 126.8913 53.1078 44.3842 175.8785 121 I 5.1980 8.6197 124.2719 59.8313 39.4258 174.6399 122 A 4.8464 8.9284 127.5894 50.7064 22.7363 176.4639 123 D 4.4868 8.6744 118.7982 56.8375 41.9943 176.1054 124 D 4.7044 7.1149 115.2246 53.6912 44.3547 174.4525 125 F 5.4294 8.8928 120.9529 55.8012 43.4082 174.4205 126 S 4.6136 8.6096 115.2574 57.4902 64.9492 174.7039 127 E 3.9976 9.2154 121.7705 59.9244 29.3171 179.6147 128 G 3.6462 8.1661 104.5873 47.6563 0.0000 175.2505 129 A 4.0965 7.9686 122.8563 55.0274 18.3743 180.0011 130 R 3.7565 8.0817 116.4712 59.5903 30.2704 178.8042 131 E 3.9342 8.2091 118.2617 59.6851 29.3303 180.0288 132 K 3.9572 8.0195 117.8444 59.5523 32.3571 179.6305 133 V 3.6150 7.8024 118.4641 65.9187 31.3227 178.0205 134 E 4.7127 7.9006 119.8715 58.9603 29.2613 179.2085 135 G 4.0302 7.8348 104.0631 47.1574 0.0000 174.0226 136 A 4.7648 7.8460 122.4828 51.3777 20.7104 176.7724 137 G 3.6251 8.6349 106.8087 48.6607 0.0000 173.5586 138 G 4.4585 7.9032 104.9865 44.0338 0.0000 172.0616 139 S 5.0738 9.2507 113.6786 56.4624 67.1826 173.1463 140 V 4.5751 8.0535 118.7123 61.0421 34.2627 174.0228 141 E 4.6459 9.5870 128.2761 54.3835 31.9838 174.8237 142 L 4.9588 8.5505 127.4253 54.7176 43.3941 176.5992 143 T 4.1949 8.6112 123.2042 63.5214 69.9029 175.4017 144 D 5.1484 8.7567 122.8161 57.4124 40.5743 178.6749 145 L 4.0512 7.9702 119.0891 58.1865 42.4623 178.8013 146 G 4.0758 7.6615 103.7444 46.3112 0.0000 173.7121 147 E 4.6056 8.5454 121.2321 57.2207 29.5992 177.0606 148 E 4.9267 7.9289 116.3589 56.5549 30.0536 177.8636 149 R 4.4325 7.3736 118.2545 53.4329 30.8830 175.9445 150 Q 4.2748 8.1260 121.8921 56.7217 29.1989 173.3919 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 8.16 4.28 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 1.20 0.00 0.00 2 S 8.31 4.44 0.00 4.09 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 3 K 9.20 4.01 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.09 3.86 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.71 4.08 0.00 1.67 2.01 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.58 4.42 0.00 1.92 1.92 0.00 3.20 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 7 Q 7.98 4.16 0.00 1.91 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.97 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 8 R 7.52 3.98 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 9 G 9.03 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 0.00 0.00 0.00 0.00 10 S 7.99 4.12 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 4.16 0.00 1.99 2.10 0.00 3.21 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 12 T 7.60 4.24 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 1.31 0.00 0.00 13 H 8.42 4.37 0.00 3.29 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.39 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 15 G 8.34 3.80 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 0.00 0.00 0.00 16 G 7.92 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 17 S 8.63 4.16 0.00 3.88 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 18 H 8.87 4.44 0.00 3.31 3.37 0.00 5.57 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 19 K 7.72 4.15 0.00 1.73 1.81 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.32 7.81 20 N 7.76 4.36 0.00 2.73 2.68 0.00 0.00 6.97 6.94 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 21 R 7.42 4.24 0.00 1.75 1.87 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 22 R 7.44 4.59 0.00 1.73 0.99 0.00 3.21 0.00 0.00 3.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 23 G 8.51 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 0.00 0.00 0.00 24 A 8.67 4.25 1.33 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 0.00 0.00 0.00 25 G 8.13 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.05 4.54 0.00 3.15 3.50 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.09 4.42 0.00 2.07 1.86 0.00 3.30 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 28 G 8.83 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.25 4.10 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 0.00 0.00 0.00 30 R 8.58 4.27 0.00 1.89 1.85 0.00 3.29 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 31 G 8.22 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 0.00 0.00 0.00 32 D 8.42 4.76 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 33 A 7.44 3.97 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 34 G 8.95 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 35 R 7.59 4.00 0.00 1.46 1.92 0.00 2.73 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 36 D 7.91 5.09 0.00 2.74 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 37 K 8.92 4.45 0.00 1.77 1.43 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.86 4.63 0.00 3.30 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.29 4.70 0.00 1.91 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 0.00 2.20 2.06 0.00 40 F 8.16 5.00 0.00 3.18 3.38 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 0.00 41 H 5.85 3.62 0.00 2.88 3.05 0.00 5.80 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 42 N 8.85 4.27 0.00 2.83 2.88 0.00 0.00 7.02 8.16 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 43 H 7.66 4.82 0.00 3.35 3.25 0.00 5.86 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 44 E 8.56 4.15 0.00 1.99 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 0.00 2.32 2.26 0.00 45 P 0.00 4.54 0.00 2.19 2.07 0.00 3.79 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 2.00 2.00 0.00 46 L 8.05 4.12 0.00 1.66 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.28 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 48 K 8.12 4.60 0.00 1.76 1.75 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.52 4.42 0.00 3.79 3.69 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 50 G 9.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 4.92 0.00 3.12 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 52 K 8.40 4.31 0.00 1.71 1.65 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.21 1.37 7.81 53 R 8.12 4.65 0.00 1.81 1.92 0.00 3.34 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.62 0.00 54 P 0.00 4.39 0.00 2.23 2.21 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 55 Q 8.82 4.01 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.35 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 56 K 7.97 4.42 0.00 1.86 1.90 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 7.88 4.37 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 0.86 0.00 0.00 0.95 0.00 0.00 58 Q 7.92 4.67 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 59 E 8.55 4.73 0.00 2.02 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 2.32 2.33 0.00 60 E 8.17 4.48 0.00 1.81 1.70 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 2.06 2.13 0.00 61 A 8.27 3.66 0.64 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 62 A 8.71 4.50 1.19 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 0.00 0.00 63 T 8.04 5.38 4.21 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 1.16 0.00 0.00 64 I 7.72 4.30 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 1.33 1.22 0.93 0.00 0.00 65 D 8.52 5.16 0.00 2.63 2.76 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 66 V 8.60 3.62 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 0.88 0.00 0.00 0.99 0.00 0.00 67 R 7.79 3.87 0.00 1.88 2.04 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 68 E 7.99 3.86 0.00 2.01 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 2.30 2.33 0.00 69 I 7.71 3.77 2.02 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 1.52 0.56 0.90 0.00 0.00 70 D 8.70 4.36 0.00 2.80 2.67 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 71 E 8.14 4.22 0.00 1.98 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 2.33 2.58 0.00 72 N 7.85 4.92 0.00 2.67 2.71 0.00 0.00 6.81 7.45 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 73 V 6.95 3.20 0.68 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 0.43 0.00 0.00 0.61 0.00 0.00 74 T 7.62 4.02 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 1.24 0.00 0.00 75 L 7.89 4.08 0.00 1.71 1.76 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.97 4.33 0.00 1.81 1.75 0.87 1.05 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 77 A 8.01 4.30 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 78 A 7.30 4.62 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 79 D 8.65 4.77 0.00 2.68 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 80 D 7.76 4.20 0.00 3.03 2.66 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 0.00 0.00 0.00 81 V 8.31 4.34 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 0.48 0.00 0.00 1.06 0.00 0.00 82 A 8.04 4.82 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 83 E 8.84 3.74 0.00 2.05 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 2.27 2.35 0.00 *89 F 7.73 4.53 0.00 2.98 3.31 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 90 R 8.38 5.19 0.00 1.78 1.84 0.00 3.25 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 91 V 8.74 4.48 2.12 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 0.72 0.00 0.00 0.95 0.00 0.00 92 D 8.80 4.98 0.00 2.78 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 93 V 8.69 3.58 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 0.97 0.00 0.00 94 R 8.01 4.06 0.00 2.05 1.99 0.00 3.22 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 95 D 8.18 4.75 0.00 2.76 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 96 V 7.98 4.12 2.21 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 0.75 0.00 0.00 0.93 0.00 0.00 97 V 7.62 3.64 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 0.82 0.00 0.00 0.97 0.00 0.00 98 E 8.63 4.12 0.00 2.05 1.84 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 2.38 2.31 0.00 99 E 8.88 3.95 0.00 2.15 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 0.00 2.27 2.26 0.00 100 A 7.52 4.04 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 0.00 101 D 7.42 4.51 0.00 2.81 2.66 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 0.00 0.00 0.00 102 D 7.90 4.70 0.00 2.76 2.74 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 0.00 103 A 8.14 4.75 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 0.00 104 D 8.21 4.74 0.00 2.56 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 0.00 105 Y 7.09 4.75 0.00 3.06 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 0.00 106 V 9.28 4.79 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 0.86 0.00 0.00 0.92 0.00 0.00 107 K 9.01 4.72 0.00 2.05 1.63 0.00 1.89 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 1.31 1.55 7.81 108 V 8.40 4.53 1.80 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 0.99 0.00 0.00 0.66 0.00 0.00 109 L 9.43 4.87 0.00 1.76 1.55 0.92 -0.39 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 0.00 110 G 8.27 4.46 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 0.00 111 A 7.80 4.41 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 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 0.00 113 Q 8.25 4.60 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 114 V 7.89 4.33 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 0.98 0.00 0.00 0.95 0.00 0.00 115 R 8.37 4.54 0.00 1.63 1.81 0.00 3.17 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 116 H 7.69 4.98 0.00 3.18 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.67 4.66 0.00 2.11 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 0.00 2.32 2.23 0.00 118 L 8.61 5.18 0.00 1.63 1.62 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.00 5.01 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 1.24 0.00 0.00 120 L 8.50 5.24 0.00 1.87 1.86 1.08 0.56 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 0.00 121 I 8.62 5.20 1.94 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 1.23 1.07 0.97 0.00 0.00 122 A 8.93 4.85 0.66 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 0.00 0.00 0.00 0.00 0.00 123 D 8.67 4.49 0.00 2.84 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 0.00 124 D 7.11 4.70 0.00 2.59 2.37 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 0.00 125 F 8.89 5.43 0.00 2.85 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 0.00 126 S 8.61 4.61 0.00 3.96 4.02 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 0.00 0.00 0.00 0.00 127 E 9.22 4.00 0.00 2.07 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 0.00 2.57 2.42 0.00 128 G 8.17 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 0.00 129 A 7.97 4.10 1.59 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 0.00 0.00 130 R 8.08 3.76 0.00 2.05 1.93 0.00 3.17 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 131 E 8.21 3.93 0.00 2.03 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 2.34 2.56 0.00 132 K 8.02 3.96 0.00 2.00 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.68 7.81 133 V 7.80 3.61 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 1.09 0.00 0.00 1.06 0.00 0.00 134 E 7.90 4.71 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 2.28 2.29 0.00 135 G 7.83 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.85 4.76 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.63 3.63 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 0.00 0.00 0.00 138 G 7.90 4.46 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 0.00 139 S 9.25 5.07 0.00 3.75 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 0.00 140 V 8.05 4.58 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 -0.78 0.00 0.00 0.39 0.00 0.00 141 E 9.59 4.65 0.00 2.03 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 2.21 2.20 0.00 142 L 8.55 4.96 0.00 1.70 1.62 1.24 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.61 4.19 4.37 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 1.24 0.00 0.00 144 D 8.76 5.15 0.00 2.70 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 0.00 145 L 7.97 4.05 0.00 1.65 1.86 0.97 1.01 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 0.00 146 G 7.66 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 0.00 147 E 8.55 4.61 0.00 2.12 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 2.33 2.57 0.00 148 E 7.93 4.93 0.00 1.85 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 2.22 2.46 0.00 149 R 7.37 4.43 0.00 1.73 1.83 0.00 3.28 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 150 Q 8.13 4.27 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.