NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2125 8.1744 110.9453 61.5495 71.0995 173.4927 8 D 4.2762 7.8443 122.4972 51.2709 40.7612 174.0371 9 P 4.4600 0.0000 0.0000 65.4022 32.5755 177.3556 10 R 4.1788 8.0053 116.4337 57.2622 30.5613 176.9205 11 A 4.1551 7.4821 119.3939 51.2625 18.9257 177.0769 12 K 3.8554 8.6397 121.2232 56.5532 32.5908 176.3596 13 W 4.2554 8.8620 135.0000 57.2245 31.1666 175.2041 14 V 4.0350 7.6709 125.4003 60.0736 32.2352 173.2814 15 P 4.0016 0.0000 0.0000 62.1871 32.2426 175.1661 16 Q 4.6479 8.4668 116.6148 54.8238 31.7248 174.1952 17 D 5.4160 8.5774 115.8058 54.4112 41.7967 175.5686 18 N 4.9481 8.5177 113.9574 52.1689 38.7871 173.7675 19 D 4.3949 7.9388 119.3799 53.1411 42.4857 175.2219 20 I 2.9967 7.9765 120.8017 62.5723 37.9302 176.6678 21 Q 4.3046 8.1807 119.2428 55.8594 28.8924 175.1359 22 A 4.9230 7.4901 121.0992 50.1881 21.3226 177.6349 23 C 4.5892 8.9710 118.7276 59.7320 40.3289 174.5309 24 D 4.8891 8.2674 117.5249 53.1773 39.7774 175.4604 25 Y 4.8072 8.1509 122.6250 57.7549 39.2899 177.1038 26 W 4.3747 7.7379 123.9621 59.7150 28.1588 177.6976 27 R 3.1972 5.8633 115.4852 57.6688 29.9844 176.2134 28 H 5.1689 8.1881 116.0403 56.1688 28.9079 174.5391 29 C 2.8517 8.2757 116.4118 56.7111 42.6702 174.1570 30 S 4.6280 8.0597 114.8090 56.7774 62.9234 173.6188 31 I 3.3651 7.2197 118.4677 60.2017 38.9393 173.9205 32 D 4.7736 8.8375 127.7826 53.9751 44.3159 172.4972 33 G 4.0855 8.1024 115.6720 44.4612 0.0000 175.5779 34 N 5.4704 7.3283 120.4040 51.2725 43.2343 173.6715 35 I 4.1180 8.4385 124.1138 61.1530 37.6066 176.6522 36 C 4.2556 8.5815 124.2044 59.8543 34.8463 175.6305 37 D 4.2686 8.0712 117.9747 56.0686 40.7873 177.7892 38 C 4.7632 8.1340 114.5709 57.3139 40.6719 173.9397 39 S 4.6431 8.2545 114.2835 57.9202 63.2779 175.0469 40 G 3.9319 8.6751 108.5776 45.9479 0.0000 174.7926 41 G 3.9384 7.5637 109.3123 44.4770 0.0000 171.6391 42 S 5.0969 8.1095 112.6778 55.0893 66.3176 173.7124 43 L 3.7090 8.6058 120.7115 58.4142 41.4648 178.5189 44 T 4.7681 7.4919 102.9653 60.7643 70.2364 172.9660 45 N 5.0695 7.8129 119.0469 51.7156 41.9499 173.1509 46 C 4.8336 8.3645 117.6962 55.4261 36.7505 172.2932 47 P 4.7145 0.0000 0.0000 61.0811 31.6502 174.4795 48 P 4.3358 0.0000 0.0000 64.3371 31.6948 176.7140 49 G 4.0304 9.1246 109.7453 46.4896 0.0000 173.5401 50 T 4.1047 6.6748 109.0349 60.4865 70.9482 174.2649 51 K 4.5424 8.5191 120.1181 54.3943 35.8296 175.5100 52 L 4.6684 9.0408 127.4623 53.6385 43.0913 175.7633 53 A 4.5673 8.4920 129.3456 52.7303 18.7828 177.1972 54 T 4.4387 8.8213 109.7533 61.9932 70.7380 174.0483 55 A 5.1719 8.0796 123.5990 49.1929 21.9837 173.9988 56 S 3.5242 8.0015 118.5216 57.5989 65.9901 176.9695 *58 V 4.6652 8.5890 112.6529 61.7153 32.5634 172.7169 59 A 4.7624 8.1228 119.8100 51.3259 22.3859 175.3053 60 S 4.9761 8.8097 116.0645 57.9241 63.5259 173.9761 61 C 5.3906 9.5702 124.9276 55.1050 43.0543 172.7467 62 Y 4.5707 9.1256 125.3147 57.7701 39.9336 173.7579 63 N 3.4379 8.4749 127.0301 50.8563 39.2541 173.7801 64 P 4.0317 0.0000 0.0000 64.6031 31.9102 177.6906 65 T 4.0063 7.6380 116.4148 65.4332 68.5729 175.1446 66 D 4.6454 7.6400 116.7216 52.3862 40.3537 176.8051 67 G 3.9773 7.9729 108.2435 45.4121 0.0000 173.0960 68 Q 4.5529 7.6022 118.9478 53.9541 31.2568 175.2948 69 S 4.9943 8.3998 119.1431 58.6421 64.6536 172.7280 70 Y 5.1216 9.2238 120.8952 55.9194 42.3073 174.5484 71 L 4.6618 9.0008 125.8866 55.2921 43.4555 175.4454 72 I 4.6417 8.7859 128.0450 59.6515 39.1421 174.6458 73 A 4.2967 8.0417 129.6259 49.9931 19.4417 177.7733 74 Y 4.6190 7.9042 124.4213 57.8890 35.7857 176.6662 75 R 4.1552 7.6511 119.9972 56.5575 31.9375 177.9178 76 D 5.1485 8.8984 123.5973 54.0661 43.1212 174.5269 77 C 5.3011 8.9288 118.5427 55.6664 43.4661 172.5907 78 C 5.8350 8.7691 119.9555 54.7256 44.5829 175.0440 79 G 3.9182 9.1907 107.9131 45.6054 0.0000 172.9405 80 Y 4.9530 7.4051 115.9151 55.4950 41.6745 174.6216 81 N 4.6083 8.5401 120.2351 52.9266 39.7282 175.1691 82 V 4.1555 8.5646 121.6201 61.1973 31.8819 177.5783 83 S 3.9874 8.3116 117.5617 59.4930 62.9677 175.7145 84 G 3.9350 7.6401 107.0091 45.6309 0.0000 173.2193 85 R 4.5249 7.9300 118.3874 55.5189 32.9329 175.3772 86 C 4.2015 8.7161 117.4324 57.5279 37.5308 171.5056 87 P 5.1872 0.0000 0.0000 63.1988 32.2087 178.1051 88 C 5.1049 9.1873 120.2075 55.1936 45.1862 173.2968 89 L 4.9335 8.4382 122.5747 54.0175 43.3872 174.7899 90 N 5.0410 8.8482 123.9007 50.9583 42.6599 174.6546 91 T 4.3528 7.5912 108.8405 61.3082 69.5655 173.5649 92 E 4.0981 8.3290 122.9993 58.4595 29.8284 177.6005 93 G 3.7289 8.7743 110.9945 45.8322 0.0000 172.4659 94 E 4.3389 7.9683 121.3359 55.7992 30.0209 176.1673 95 L 4.7388 8.4238 126.3843 52.2074 45.0125 174.2592 96 P 4.5968 0.0000 0.0000 62.2203 32.2197 177.9383 97 V 3.6794 8.5361 120.4350 65.0018 31.1925 177.2977 98 Y 4.3040 8.1411 117.0777 58.8516 38.6849 176.6128 99 R 4.5242 7.4486 122.9323 54.0245 29.1620 174.9514 100 P 4.4886 0.0000 0.0000 65.3979 32.1277 179.3427 101 E 3.5995 8.1367 116.1120 58.6560 29.3916 177.5129 102 F 5.0470 8.4614 114.7032 56.5867 41.1219 173.5843 103 A 5.3047 8.7670 124.9662 50.2871 19.7118 176.9860 104 N 5.0452 9.1446 119.6774 52.8139 37.6802 175.5523 105 D 4.7383 7.8429 118.2812 55.2499 41.6162 177.1184 106 I 3.4626 7.3544 119.7771 60.8749 37.3893 176.0933 107 I 3.7731 7.7165 125.0214 61.2348 36.3285 176.5385 108 W 4.6857 8.8068 129.3681 55.6874 27.5100 176.5263 109 C 4.8909 7.2854 115.9570 56.1487 36.5231 174.4019 110 F 4.5138 7.3151 119.4796 59.4446 38.8143 176.2672 111 G 4.6145 9.4181 112.3295 46.3776 0.0000 173.5867 112 A 4.8936 7.6266 122.2510 51.1491 19.3473 177.1983 113 E 4.1157 8.6727 119.8616 57.7742 30.0714 176.9364 114 D 4.2972 9.4797 118.2596 54.8840 38.6452 173.4187 115 D 4.4117 7.7527 113.8368 55.0664 38.9068 174.0806 116 A 4.1852 7.7714 121.2461 52.8018 18.7525 178.3979 117 M 4.6972 8.3524 118.9521 54.5618 34.7548 175.8475 118 T 4.2704 7.6738 109.7267 61.5678 70.5049 172.6973 119 Y 4.5858 8.5149 124.2324 57.2877 40.1997 173.7689 120 H 4.6016 7.8749 125.5263 56.5970 32.1290 171.3825 121 C 5.0744 6.4532 109.5596 55.1425 41.6184 171.7183 122 T 5.3236 8.8305 115.6194 61.8197 71.8346 173.9809 123 I 4.2646 8.5748 119.3558 59.0980 39.8587 175.8659 124 S 4.5902 8.7965 118.0190 56.5682 63.1309 172.7480 125 P 4.4552 0.0000 0.0000 62.0864 32.8360 176.0414 126 I 4.2300 7.9487 121.6642 61.5026 37.3282 175.8132 127 V 3.7611 9.2848 129.2626 64.8144 31.6013 176.4874 128 G 4.1881 7.5363 104.4084 45.1223 0.0000 172.1193 129 K 3.9508 8.7764 118.9310 57.4649 31.9424 176.0497 130 A 4.4316 8.4568 125.0563 49.2065 25.1986 176.9075 131 S 4.0056 8.6477 115.1798 57.7187 63.4932 171.9417 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 7 T 8.17 4.21 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 1.23 0.00 0.00 8 D 7.84 4.28 0.00 2.80 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 9 P 0.00 4.46 0.00 2.24 2.19 0.00 3.83 0.00 0.00 3.92 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 10 R 8.01 4.18 0.00 2.01 2.04 0.00 3.18 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 11 A 7.48 4.16 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 12 K 8.64 3.86 0.00 1.76 1.80 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.51 7.81 13 W 8.86 4.26 0.00 3.21 3.23 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 14 V 7.67 4.04 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 0.82 0.00 0.00 0.92 0.00 0.00 15 P 0.00 4.00 0.00 2.13 1.72 0.00 3.38 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 16 Q 8.47 4.65 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 17 D 8.58 5.42 0.00 2.54 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 18 N 8.52 4.95 0.00 2.87 2.92 0.00 0.00 5.97 8.06 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 19 D 7.94 4.39 0.00 2.68 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 20 I 7.98 3.00 1.35 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 -0.11 0.00 0.00 21 Q 8.18 4.30 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 22 A 7.49 4.92 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 23 C 8.97 4.59 0.00 3.14 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 24 D 8.27 4.89 0.00 2.76 2.81 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 25 Y 8.15 4.81 0.00 3.35 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 26 W 7.74 4.37 0.00 3.64 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 27 R 5.86 3.20 0.00 1.50 1.59 0.00 3.02 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.19 5.17 0.00 3.61 3.38 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.28 2.85 0.00 2.58 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 30 S 8.06 4.63 0.00 3.82 3.59 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 31 I 7.22 3.37 1.91 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 1.10 1.28 0.88 0.00 0.00 32 D 8.84 4.77 0.00 2.64 2.40 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 33 G 8.10 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 0.00 0.00 0.00 34 N 7.33 5.47 0.00 2.91 2.79 0.00 0.00 7.35 7.75 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 35 I 8.44 4.12 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.62 0.97 0.00 0.00 36 C 8.58 4.26 0.00 2.94 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 37 D 8.07 4.27 0.00 2.70 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 38 C 8.13 4.76 0.00 3.18 3.11 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 0.00 39 S 8.25 4.64 0.00 4.05 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 40 G 8.68 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 0.00 0.00 0.00 41 G 7.56 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 0.00 0.00 0.00 42 S 8.11 5.10 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 43 L 8.61 3.71 0.00 1.65 1.69 0.85 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 44 T 7.49 4.77 4.20 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 1.16 0.00 0.00 45 N 7.81 5.07 0.00 2.70 2.67 0.00 0.00 6.98 7.33 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 46 C 8.36 4.83 0.00 2.89 2.90 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 47 P 0.00 4.71 0.00 1.99 2.11 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 48 P 0.00 4.34 0.00 2.02 1.97 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 49 G 9.12 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 50 T 6.67 4.10 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 0.21 0.00 0.00 51 K 8.52 4.54 0.00 1.62 1.79 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.59 7.81 52 L 9.04 4.67 0.00 1.71 1.52 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.49 4.57 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 54 T 8.82 4.44 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 1.23 0.00 0.00 55 A 8.08 5.17 1.38 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 0.00 0.00 56 S 8.00 3.52 0.00 3.74 3.07 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 *58 V 8.59 4.67 2.17 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 0.49 0.00 0.00 0.98 0.00 0.00 59 A 8.12 4.76 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 60 S 8.81 4.98 0.00 3.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.57 5.39 0.00 3.28 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.13 4.57 0.00 3.16 3.03 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 63 N 8.47 3.44 0.00 1.44 2.22 0.00 0.00 6.53 7.59 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 64 P 0.00 4.03 0.00 2.11 2.13 0.00 3.02 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 65 T 7.64 4.01 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 1.12 0.00 0.00 66 D 7.64 4.65 0.00 2.68 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 67 G 7.97 3.98 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 0.00 0.00 0.00 68 Q 7.60 4.55 0.00 1.87 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 69 S 8.40 4.99 0.00 3.79 3.84 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 70 Y 9.22 5.12 0.00 3.34 2.99 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 71 L 9.00 4.66 0.00 1.86 1.61 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.79 4.64 1.41 0.00 0.00 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 1.30 0.80 0.04 0.00 0.00 73 A 8.04 4.30 1.12 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 0.00 0.00 74 Y 7.90 4.62 0.00 2.92 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 75 R 7.65 4.16 0.00 1.77 2.03 0.00 3.07 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 76 D 8.90 5.15 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.93 5.30 0.00 2.69 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.77 5.83 0.00 2.74 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 79 G 9.19 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 80 Y 7.41 4.95 0.00 2.69 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 81 N 8.54 4.61 0.00 2.66 2.72 0.00 0.00 7.03 7.71 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 82 V 8.56 4.16 2.28 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 0.92 0.00 0.00 1.17 0.00 0.00 83 S 8.31 3.99 0.00 3.99 3.68 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 84 G 7.64 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 0.00 0.00 0.00 85 R 7.93 4.52 0.00 1.79 1.84 0.00 3.34 0.00 0.00 3.52 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 86 C 8.72 4.20 0.00 3.13 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 87 P 0.00 5.19 0.00 2.08 2.08 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 88 C 9.19 5.10 0.00 2.85 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 89 L 8.44 4.93 0.00 1.50 1.47 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.85 5.04 0.00 2.24 1.93 0.00 0.00 6.19 6.58 0.00 0.00 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 T 7.59 4.35 4.16 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 1.12 0.00 0.00 92 E 8.33 4.10 0.00 1.94 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 2.09 2.48 0.00 93 G 8.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.34 0.00 1.93 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 2.57 2.49 0.00 95 L 8.42 4.74 0.00 1.67 1.41 0.95 0.80 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 96 P 0.00 4.60 0.00 1.71 2.04 0.00 3.23 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 97 V 8.54 3.68 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 0.84 0.00 0.00 0.96 0.00 0.00 98 Y 8.14 4.30 0.00 3.13 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 99 R 7.45 4.52 0.00 1.72 1.97 0.00 3.35 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.56 0.00 100 P 0.00 4.49 0.00 2.53 2.48 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 101 E 8.14 3.60 0.00 1.59 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 1.47 1.52 0.00 102 F 8.46 5.05 0.00 3.20 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 0.00 103 A 8.77 5.30 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 0.00 104 N 9.14 5.05 0.00 2.78 2.90 0.00 0.00 7.03 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 0.00 105 D 7.84 4.74 0.00 2.63 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 0.00 106 I 7.35 3.46 0.95 0.00 0.00 0.77 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 0.38 -0.34 0.00 0.00 107 I 7.72 3.77 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.94 0.00 0.00 108 W 8.81 4.69 0.00 3.54 3.34 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 0.00 109 C 7.29 4.89 0.00 2.70 3.15 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 0.00 110 F 7.32 4.51 0.00 3.27 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 0.00 111 G 9.42 4.61 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 0.00 0.00 0.00 112 A 7.63 4.89 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 0.00 113 E 8.67 4.12 0.00 2.07 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 2.40 2.41 0.00 114 D 9.48 4.30 0.00 2.79 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 0.00 115 D 7.75 4.41 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.19 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 0.00 117 M 8.35 4.70 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 118 T 7.67 4.27 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 1.23 0.00 0.00 119 Y 8.51 4.59 0.00 3.15 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 0.00 120 H 7.87 4.60 0.00 3.21 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.45 5.07 0.00 3.07 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 0.00 122 T 8.83 5.32 4.40 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 1.54 0.00 0.00 123 I 8.57 4.26 1.93 0.00 0.00 0.83 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 0.67 0.94 0.00 0.00 124 S 8.80 4.59 0.00 3.84 3.72 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 0.00 125 P 0.00 4.46 0.00 2.15 2.10 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 126 I 7.95 4.23 1.84 0.00 0.00 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 1.19 0.41 1.06 0.00 0.00 127 V 9.28 3.76 2.20 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 0.72 0.00 0.00 0.89 0.00 0.00 128 G 7.54 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 0.00 0.00 0.00 0.00 129 K 8.78 3.95 0.00 1.84 1.77 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.68 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 1.38 7.81 130 A 8.46 4.43 1.09 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 0.00 0.00 131 S 8.65 4.01 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.