NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.9279 8.4104 110.3278 60.8417 69.2031 172.1293 4 A 4.1325 7.4035 127.5625 53.2706 25.3802 176.3613 5 Y 4.3606 8.7432 114.6904 61.5531 39.9341 177.2010 6 D 4.4338 7.5593 118.9319 55.0711 41.7212 179.0199 7 V 3.6371 7.8422 119.1610 66.0985 32.1138 175.9652 8 I 4.0968 8.1805 121.1245 61.3508 37.0502 175.0006 9 L 4.7849 8.5974 125.9263 56.0546 43.9100 176.5818 10 A 4.7318 7.8108 116.6413 50.5701 22.3971 173.9700 11 P 4.8252 0.0000 0.0000 62.3906 32.5053 176.4238 12 V 4.0415 7.9017 123.0644 60.8239 32.4501 176.2085 13 L 4.4893 8.7232 126.5122 53.2984 41.0299 175.5569 14 S 4.3719 7.1222 116.3063 55.3335 65.9291 175.5227 15 E 3.6435 8.7199 122.0609 59.9451 28.8863 179.9421 16 K 3.8465 7.1578 118.3952 59.0217 32.4028 178.4493 17 A 4.0955 7.6887 121.4009 55.3718 18.3325 179.1197 18 Y 2.5050 7.1934 114.1779 61.3339 37.7234 179.0021 19 A 4.0275 7.7571 120.2391 55.2203 18.3694 179.6305 20 G 3.8346 8.4416 104.5884 47.7073 0.0000 175.9547 21 F 4.0745 9.0574 119.5120 61.2340 38.5299 176.7534 22 A 3.7124 7.3823 119.1022 55.6572 19.4266 179.9566 23 E 4.2448 7.8525 121.2811 54.9677 31.3499 176.1834 24 G 3.7580 8.5429 108.7999 46.8847 0.0000 172.2008 25 K 4.4145 7.3766 125.4450 52.4660 36.5426 171.1893 26 Y 4.8989 7.5713 115.7426 56.3011 41.8415 173.3395 27 T 4.5074 8.6667 112.0892 60.6816 70.6339 173.7857 28 F 5.1459 8.5224 124.7796 54.9478 43.6670 174.4153 29 W 4.6100 8.9815 121.2794 57.3129 29.6930 176.6335 30 V 4.5399 8.1598 125.9886 61.6652 33.3118 174.2105 31 H 4.4405 8.3449 121.8282 55.3600 29.8129 173.4796 32 P 4.1848 0.0000 0.0000 65.1061 31.5820 176.9481 33 K 4.4299 8.1382 115.7229 55.8182 35.0832 176.0392 34 A 3.5527 8.3130 116.4465 54.9024 17.4183 181.1732 35 T 3.4069 10.7500 108.3978 65.4098 69.2812 173.6894 36 K 4.6787 7.6459 117.8324 54.8426 32.9701 176.2664 37 T 3.9434 8.7247 119.6744 66.3912 68.7135 174.3943 38 E 4.5640 7.9217 121.0513 56.5399 29.3876 177.8467 39 I 4.0514 7.6657 112.4434 61.9030 38.1877 175.7760 40 K 3.6726 8.1558 120.4496 60.7768 31.6950 176.8310 41 N 4.3599 7.9232 115.7181 54.8004 39.2024 174.9761 42 A 4.3912 8.3258 121.0117 53.6395 20.8934 178.8039 43 V 3.4422 8.0727 116.6490 66.2975 31.0039 178.1837 44 E 4.1205 8.1415 116.7975 59.0196 29.5976 178.2180 45 T 4.1163 7.7132 107.7749 62.7914 69.4431 175.6785 46 A 4.3021 7.4858 123.1850 53.2377 19.0442 177.5241 47 F 4.8400 7.5149 114.3369 58.7919 40.8469 176.4240 48 K 4.1188 7.8896 115.4329 57.4113 28.5122 172.7593 49 V 4.6171 7.7344 115.0142 59.4669 37.0721 176.1923 50 K 4.6087 8.3878 121.9283 54.6526 34.0285 175.0001 51 V 3.9876 9.2879 129.1996 63.0901 31.4786 175.7070 52 V 4.2667 8.5481 126.6874 63.6923 33.5958 175.5690 53 K 4.7375 7.7863 119.7438 54.6464 35.9698 175.1617 54 V 4.9211 8.3622 124.9034 61.3002 34.2399 174.0779 55 N 5.3300 9.2365 124.8589 51.7509 41.8782 173.6113 56 T 5.7036 8.1273 109.9785 59.5345 72.3636 172.8734 57 L 4.6329 8.2540 120.1405 54.2729 46.6428 174.7155 58 H 5.2991 8.7735 119.3437 55.7098 30.9906 176.0801 59 V 4.5045 8.9876 112.4594 62.6803 33.9875 177.6601 60 R 3.1629 8.1270 124.0114 52.8030 33.4955 175.0894 61 G 4.2435 7.6895 111.0448 45.1860 0.0000 172.3373 62 K 4.2412 8.0656 120.4316 55.8618 33.2694 176.9616 63 K 4.4228 8.1546 125.4348 55.9667 34.5127 175.0196 64 K 4.4817 8.0830 117.4759 56.4772 34.7760 175.9897 65 R 4.0869 8.6547 124.1932 57.2641 30.7878 173.3949 66 L 3.9560 9.9428 126.2748 54.8130 41.3154 173.6093 67 G 4.0114 6.5972 110.6727 44.5967 0.0000 175.4643 68 R 4.8557 8.8855 120.5140 57.4453 32.1855 169.5849 69 Y 3.3459 8.2845 122.4954 58.2331 34.6165 168.8238 70 L 4.4691 8.1791 126.7093 53.5767 45.9320 179.4820 71 G 3.5878 9.0260 109.6473 45.4879 0.0000 173.3614 72 K 4.1551 8.4709 127.2175 55.8028 38.7673 175.3350 73 R 4.6319 8.3709 110.5643 57.0810 31.5022 173.1729 74 P 4.3082 0.0000 0.0000 59.4757 32.2079 175.3776 75 D 4.9368 8.9931 124.3982 54.7691 42.8704 174.6607 76 R 4.6496 9.8397 119.3153 55.6489 33.4260 173.1488 77 K 4.6308 7.7862 116.6667 55.2726 35.5510 173.8014 78 K 4.6854 8.0069 118.1141 55.9110 34.2624 175.7323 79 A 4.6988 8.1620 126.2386 51.4640 19.1401 177.1946 80 I 3.8961 9.1922 123.4304 61.7787 39.4711 172.8953 81 V 3.7252 7.9499 127.7271 61.7953 32.4972 171.0077 82 Q 4.0146 8.8674 127.9812 55.9862 29.3949 176.3752 83 V 3.4484 8.2363 115.6139 64.7269 32.0187 174.1552 84 A 4.2666 9.3007 128.7501 52.4104 15.9140 177.8278 85 P 4.3038 0.0000 0.0000 65.3360 31.5536 177.3209 86 G 4.0197 7.3804 108.6994 45.3417 0.0000 173.2029 87 Q 4.5184 7.4727 122.1978 54.8439 32.3367 172.4248 88 K 3.7999 9.0323 124.7829 56.9837 32.3584 177.5900 89 I 3.3051 8.3385 120.3380 61.8985 35.1809 174.6811 90 E 3.8182 7.3373 121.0068 58.7333 29.7917 177.4710 91 A 4.0706 7.8247 124.7976 54.0971 18.9790 177.3773 92 L 4.1939 7.4901 116.2482 54.9091 42.5480 176.5591 93 E 3.5194 9.7866 124.4874 56.9923 28.1342 174.7880 94 G 3.3613 7.8837 111.7740 46.0436 0.0000 174.3927 *95 L 4.1219 8.1336 122.5790 53.9533 41.6291 179.1294 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 3 T 8.41 4.93 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 1.19 0.00 0.00 4 A 7.40 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.74 4.36 0.00 3.16 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 6 D 7.56 4.43 0.00 2.71 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 7 V 7.84 3.64 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 0.95 0.00 0.00 0.87 0.00 0.00 8 I 8.18 4.10 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.26 0.77 0.00 0.00 9 L 8.60 4.78 0.00 1.94 1.81 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.81 4.73 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.83 0.00 2.12 2.19 0.00 3.88 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 12 V 7.90 4.04 0.93 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 0.03 0.00 0.00 0.66 0.00 0.00 13 L 8.72 4.49 0.00 1.74 1.83 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.12 4.37 0.00 3.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 3.64 0.00 1.96 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 2.38 2.44 0.00 16 K 7.16 3.85 0.00 1.80 1.72 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 17 A 7.69 4.10 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 18 Y 7.19 2.51 0.00 2.75 2.32 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 19 A 7.76 4.03 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 20 G 8.44 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 0.00 0.00 0.00 21 F 9.06 4.07 0.00 2.80 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.38 3.71 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 23 E 7.85 4.24 0.00 1.79 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 2.34 2.32 0.00 24 G 8.54 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 0.00 0.00 0.00 25 K 7.38 4.41 0.00 1.76 2.18 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.15 1.34 7.81 26 Y 7.57 4.90 0.00 3.21 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 T 8.67 4.51 4.22 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 1.18 0.00 0.00 28 F 8.52 5.15 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.98 4.61 0.00 3.45 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.54 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 0.74 0.00 0.00 1.04 0.00 0.00 31 H 8.34 4.44 0.00 3.39 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.18 0.00 2.15 2.12 0.00 3.73 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 1.82 1.95 0.00 33 K 8.14 4.43 0.00 1.96 2.02 0.00 1.72 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.44 7.81 34 A 8.31 3.55 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 35 T 10.75 3.41 4.72 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 1.27 0.00 0.00 36 K 7.65 4.68 0.00 2.00 2.00 0.00 1.30 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.66 7.81 37 T 8.72 3.94 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 38 E 7.92 4.56 0.00 1.93 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 2.30 2.22 0.00 39 I 7.67 4.05 1.81 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 1.37 1.11 0.99 0.00 0.00 40 K 8.16 3.67 0.00 1.94 1.77 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.52 7.81 41 N 7.92 4.36 0.00 2.67 2.80 0.00 0.00 6.65 7.35 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 42 A 8.33 4.39 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 43 V 8.07 3.44 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 1.11 0.00 0.00 0.47 0.00 0.00 44 E 8.14 4.12 0.00 2.40 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 0.00 2.33 2.34 0.00 45 T 7.71 4.12 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 1.08 0.00 0.00 46 A 7.49 4.30 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.51 4.84 0.00 3.02 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 48 K 7.89 4.12 0.00 1.87 2.07 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 49 V 7.73 4.62 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 0.73 0.00 0.00 1.10 0.00 0.00 50 K 8.39 4.61 0.00 1.81 1.67 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 51 V 9.29 3.99 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 0.78 0.00 0.00 0.94 0.00 0.00 52 V 8.55 4.27 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 0.83 0.00 0.00 0.94 0.00 0.00 53 K 7.79 4.74 0.00 1.82 1.56 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 54 V 8.36 4.92 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 0.88 0.00 0.00 0.97 0.00 0.00 55 N 9.24 5.33 0.00 2.67 2.66 0.00 0.00 6.16 7.89 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 56 T 8.13 5.70 4.42 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 1.22 0.00 0.00 57 L 8.25 4.63 0.00 1.59 1.60 0.98 1.15 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 58 H 8.77 5.30 0.00 3.08 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.99 4.50 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 0.89 0.00 0.00 1.22 0.00 0.00 60 R 8.13 3.16 0.00 1.87 2.13 0.00 3.29 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 61 G 7.69 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 0.00 0.00 0.00 0.00 62 K 8.07 4.24 0.00 1.72 1.50 0.00 1.31 0.00 0.00 1.09 0.00 0.00 2.44 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.28 7.81 63 K 8.15 4.42 0.00 1.82 1.79 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.39 7.81 64 K 8.08 4.48 0.00 1.63 1.60 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.38 7.81 65 R 8.65 4.09 0.00 1.75 1.78 0.00 3.50 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 66 L 9.94 3.96 0.00 1.84 1.83 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 67 G 6.60 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 68 R 8.89 4.86 0.00 1.61 1.85 0.00 2.39 0.00 0.00 3.76 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 69 Y 8.28 3.35 0.00 3.14 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 70 L 8.18 4.47 0.00 1.57 1.65 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.03 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 0.00 0.00 0.00 72 K 8.47 4.16 0.00 1.79 1.60 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.12 1.37 7.81 73 R 8.37 4.63 0.00 1.92 2.14 0.00 3.02 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 74 P 0.00 4.31 0.00 2.23 1.93 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 75 D 8.99 4.94 0.00 2.96 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 76 R 9.84 4.65 0.00 1.59 2.10 0.00 2.80 0.00 0.00 2.89 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.85 0.00 77 K 7.79 4.63 0.00 1.81 2.28 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.02 7.81 78 K 8.01 4.69 0.00 1.98 1.95 0.00 1.24 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.41 7.81 79 A 8.16 4.70 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 I 9.19 3.90 1.88 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 1.13 1.48 0.96 0.00 0.00 81 V 7.95 3.73 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 0.79 0.00 0.00 0.95 0.00 0.00 82 Q 8.87 4.01 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 83 V 8.24 3.45 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 0.75 0.00 0.00 0.94 0.00 0.00 84 A 9.30 4.27 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 85 P 0.00 4.30 0.00 2.06 2.16 0.00 4.05 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 2.05 2.12 0.00 86 G 7.38 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 0.00 0.00 0.00 87 Q 7.47 4.52 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 5.95 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 88 K 9.03 3.80 0.00 1.99 1.81 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.56 7.81 89 I 8.34 3.31 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.78 0.00 0.00 90 E 7.34 3.82 0.00 1.86 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 2.42 2.33 0.00 91 A 7.82 4.07 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 92 L 7.49 4.19 0.00 1.74 1.60 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.79 3.52 0.00 1.99 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 2.20 2.10 0.00 94 G 7.88 3.36 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 0.00 *95 L 8.13 4.12 0.00 1.42 1.50 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.