NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2974 8.2601 123.5859 52.5363 18.5880 175.6318 3 A 4.5002 7.9850 123.7987 51.0952 20.0511 171.2029 4 V 4.2343 8.1244 115.2941 64.3476 34.9095 170.0835 5 T 4.7349 9.2084 125.5309 61.9299 71.8587 173.7171 6 Q 4.8287 8.9273 123.1723 53.0971 31.5653 174.1400 7 S 4.8058 8.5807 119.5274 56.4335 65.1980 172.4360 8 P 5.0699 0.0000 0.0000 61.9341 32.9160 175.7836 9 R 4.2645 8.5571 117.5628 57.9762 31.5052 176.0347 10 N 5.2308 8.0583 116.4805 51.9637 41.5739 173.2421 11 K 4.6706 9.2117 128.3364 54.4774 35.3756 174.6729 12 V 4.7888 8.4712 126.0330 61.1541 33.5650 174.1634 13 A 4.8744 9.2453 128.8226 50.1827 23.1632 174.1059 14 V 4.6616 8.3056 118.4004 61.1032 34.0024 174.3613 15 T 3.9703 7.9143 124.2372 67.7213 67.8848 173.0612 16 G 4.1607 8.2140 115.8253 44.2851 0.0000 171.7481 17 E 4.6763 8.0172 119.7081 53.7224 32.2976 174.9821 18 K 4.7555 8.5733 127.9117 56.1813 33.5253 175.9837 19 V 4.4258 8.6890 126.2250 61.4667 34.7625 173.9699 20 T 4.8998 8.5458 123.7980 61.6830 71.1809 173.6832 21 L 4.6154 8.7056 125.8422 52.8645 44.4200 176.4743 22 S 4.8035 8.7120 120.4113 58.6201 64.8515 172.8493 23 C 5.6355 8.7290 120.8622 54.2707 44.8894 172.8461 24 Q 5.3647 9.0578 125.1994 54.1364 30.5616 174.7101 25 Q 4.8765 8.4974 119.2526 54.8242 31.8969 174.2122 26 T 4.5683 8.1885 117.2337 63.1833 70.5143 173.9964 27 N 4.2191 9.8931 120.1731 52.4603 36.2834 174.4459 28 N 4.2255 8.3025 113.3579 54.0865 36.3917 173.9677 29 H 4.3759 9.0285 115.4790 56.1450 29.2001 174.2996 30 N 4.3737 8.3463 119.6939 54.5736 38.6787 175.3446 31 N 4.8900 8.4356 114.8511 54.1589 40.5354 174.2497 32 M 5.6504 7.7001 120.6243 52.7397 36.6596 173.9563 33 Y 5.1194 8.3474 117.1042 56.2599 43.1377 174.0845 34 W 5.3825 8.8743 120.9421 55.2860 33.3180 174.0764 35 Y 5.5495 10.4914 122.3748 56.2466 42.2007 174.2649 36 R 5.0663 8.6162 118.0049 54.6036 32.0598 175.3523 37 Q 4.7990 9.1885 125.6283 55.3613 28.4816 173.8390 38 D 4.8600 8.4119 125.6800 52.3584 42.5930 176.5256 39 T 4.2336 8.2865 114.5276 62.7902 69.5925 174.3083 40 G 4.0505 9.5020 112.4609 46.0505 0.0000 173.9456 41 H 4.9580 7.8532 113.0967 54.2265 32.8434 175.4391 42 G 3.7920 8.3856 112.0955 46.3283 0.0000 176.3158 43 L 4.5395 8.7481 122.2618 52.9423 44.9589 175.8896 44 R 4.6893 8.4213 123.2197 55.0753 32.7591 175.0909 45 L 4.9222 8.5017 121.8772 54.0186 44.7174 175.5901 46 I 4.1967 8.7994 125.9739 62.7312 39.0063 174.9344 47 H 5.6036 7.9837 117.3478 54.5046 33.3897 171.8408 48 Y 5.2396 8.5027 120.3606 55.6288 41.5453 173.9816 49 S 4.2853 7.8336 111.7311 57.1507 66.0479 174.0730 50 Y 4.7497 8.3418 122.2936 56.6279 38.2691 175.5762 51 G 3.9902 7.3186 110.6186 45.0058 0.0000 172.7467 52 A 4.1958 8.3060 123.1675 53.1911 18.8717 177.5009 53 G 4.1745 9.0676 112.4690 45.4140 0.0000 174.0090 54 S 4.7078 7.2784 113.1900 57.5709 63.8158 173.6486 55 T 4.2354 7.4674 110.6518 61.3930 71.6657 172.0586 56 E 4.4983 8.2252 123.8755 54.7287 33.5138 174.0009 57 K 4.6356 8.5391 125.7370 55.6747 32.7923 177.5625 58 G 4.2945 9.0554 120.0182 47.2757 0.0000 174.7731 59 D 4.9229 9.1740 121.8256 54.1345 42.1727 177.2243 60 I 4.7204 7.2272 109.9765 59.1000 37.3199 173.8376 61 P 4.4026 0.0000 0.0000 65.5688 32.4050 177.3876 62 D 4.3036 8.1182 118.5585 56.2164 41.0084 176.9488 63 G 3.5692 8.6386 111.2206 45.5444 0.0000 172.2447 *65 Y 4.6964 7.3680 115.8658 58.1406 39.2766 174.7760 66 K 4.7358 8.8255 122.5020 55.5285 35.7332 174.4252 67 A 4.5251 7.9542 120.3500 52.1479 22.2931 176.4774 68 S 4.2544 8.0704 110.6240 58.1144 65.9775 174.7010 69 R 4.9759 8.7677 128.4487 54.6677 28.8492 175.5837 70 P 4.2773 0.0000 0.0000 64.6385 31.9034 176.6695 71 S 4.7164 7.3554 110.4477 56.3186 66.0911 173.9383 72 Q 4.0753 8.6169 121.7479 59.1510 29.2736 177.3422 73 E 4.3199 8.3034 117.2265 59.0273 30.5193 176.4435 74 Q 5.0970 7.6652 120.2342 54.4044 30.3244 174.0874 75 F 5.6738 8.8261 127.9240 56.8378 43.1343 173.1484 76 S 4.9672 8.5203 119.7343 56.6003 66.9112 172.4818 77 L 4.5205 7.6240 122.1248 53.3379 45.0246 175.1283 78 I 4.9776 7.9120 122.9295 59.7736 42.3157 174.0444 79 L 4.8202 8.4843 124.4628 53.3218 44.6792 177.3228 80 E 3.8542 8.4370 123.9743 59.1150 29.8281 177.6529 81 S 4.4047 7.7805 116.9759 56.2675 64.5791 172.7694 82 A 4.4017 8.6866 128.8154 51.7797 19.6586 175.9162 83 T 4.7486 8.1633 113.1660 59.5957 71.0974 173.1146 84 P 4.4339 0.0000 0.0000 66.6743 31.7694 180.0475 85 S 3.9746 7.5985 112.6855 61.6239 62.9659 175.5038 86 Q 4.2984 7.9896 117.6244 56.9385 28.8972 175.2168 87 T 4.3130 7.4571 114.6193 63.9140 68.9296 172.8009 88 S 4.4051 7.8411 120.5870 57.6503 65.3047 172.9272 89 V 4.6460 7.7430 118.2474 61.3512 34.7311 174.8138 90 Y 5.2720 8.8268 124.7577 56.4181 40.9966 174.3672 91 F 5.2480 9.2229 123.2742 55.8930 41.8728 172.6395 92 C 5.0666 8.9701 116.1857 53.4422 39.4961 172.7013 93 A 5.1978 8.7535 121.8151 50.1707 22.8484 174.7603 94 S 5.2582 8.6032 112.5802 56.5935 66.6441 173.2443 95 G 4.4987 8.8911 107.9147 45.0532 0.0000 172.6644 96 G 4.0653 9.3968 114.4508 45.7201 0.0000 174.8817 97 G 4.2661 7.2171 109.9581 45.3997 0.0000 173.9070 98 G 3.7668 9.2669 112.7169 48.4742 0.0000 174.0134 99 T 3.8488 7.7542 116.8097 63.2395 69.0648 172.9360 100 L 5.0950 7.8247 123.5677 53.1339 45.4222 175.8826 101 Y 4.4894 8.6321 118.9391 56.6670 41.5044 174.6271 *108 F 5.4408 7.9623 123.2000 57.8356 40.7660 173.5440 109 G 4.2089 8.4517 108.0716 44.5587 0.0000 173.1560 110 A 4.4707 8.6519 120.6261 51.9678 19.0710 178.3852 111 G 3.9164 9.7738 100.9934 45.4759 0.0000 173.4833 112 T 4.6479 7.6023 114.0132 62.6051 72.7323 173.0071 113 R 4.9324 8.8727 127.2284 54.6271 33.3160 174.2813 114 L 5.7639 8.4047 124.3680 53.7357 46.5328 174.8980 115 S 4.6924 8.6463 119.6606 56.9591 66.5410 173.3497 116 V 4.5970 8.2167 126.3037 61.0580 31.4592 175.8214 117 L 4.2797 8.6381 127.9032 54.9858 41.6000 177.3871 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 2 A 8.26 4.30 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 3 A 7.98 4.50 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 4 V 8.12 4.23 2.29 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 0.77 0.00 0.00 1.03 0.00 0.00 5 T 9.21 4.73 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 1.24 0.00 0.00 6 Q 8.93 4.83 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 7 S 8.58 4.81 0.00 3.92 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 8 P 0.00 5.07 0.00 2.11 2.12 0.00 3.78 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 1.96 1.99 0.00 9 R 8.56 4.26 0.00 1.78 2.04 0.00 3.43 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 1.83 1.60 0.00 10 N 8.06 5.23 0.00 2.68 2.67 0.00 0.00 6.72 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 11 K 9.21 4.67 0.00 1.89 1.62 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.39 7.81 12 V 8.47 4.79 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 0.86 0.00 0.00 0.94 0.00 0.00 13 A 9.25 4.87 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 14 V 8.31 4.66 2.18 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 0.95 0.00 0.00 0.93 0.00 0.00 15 T 7.91 3.97 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 1.20 0.00 0.00 16 G 8.21 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 0.00 0.00 0.00 0.00 17 E 8.02 4.68 0.00 2.45 1.67 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 2.17 2.19 0.00 18 K 8.57 4.76 0.00 1.90 1.65 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.33 7.81 19 V 8.69 4.43 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 0.85 0.00 0.00 0.94 0.00 0.00 20 T 8.55 4.90 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 1.15 0.00 0.00 21 L 8.71 4.62 0.00 0.84 1.38 0.14 -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 0.00 0.00 0.00 0.00 22 S 8.71 4.80 0.00 3.90 3.85 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 23 C 8.73 5.64 0.00 3.04 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 24 Q 9.06 5.36 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 25 Q 8.50 4.88 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 26 T 8.19 4.57 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 1.15 0.00 0.00 27 N 9.89 4.22 0.00 2.45 2.72 0.00 0.00 7.06 8.00 0.00 0.00 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 N 8.30 4.23 0.00 2.82 2.87 0.00 0.00 6.98 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 29 H 9.03 4.38 0.00 3.28 3.24 0.00 5.67 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 30 N 8.35 4.37 0.00 2.76 2.90 0.00 0.00 6.95 8.00 0.00 0.00 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 N 8.44 4.89 0.00 2.85 2.36 0.00 0.00 7.38 7.66 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 32 M 7.70 5.65 0.00 1.83 1.24 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 33 Y 8.35 5.12 0.00 2.41 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 34 W 8.87 5.38 0.00 3.40 2.91 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 35 Y 10.49 5.55 0.00 3.14 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 36 R 8.62 5.07 0.00 1.75 2.26 0.00 2.97 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 37 Q 9.19 4.80 0.00 2.24 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 38 D 8.41 4.86 0.00 2.88 2.62 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 39 T 8.29 4.23 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 1.24 0.00 0.00 40 G 9.50 4.05 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 0.00 0.00 0.00 41 H 7.85 4.96 0.00 3.28 3.26 0.00 5.81 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 42 G 8.39 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 0.00 0.00 0.00 43 L 8.75 4.54 0.00 1.37 1.37 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.42 4.69 0.00 1.81 1.93 0.00 3.02 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 45 L 8.50 4.92 0.00 1.87 1.57 0.47 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.80 4.20 1.96 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.53 0.39 0.00 0.00 47 H 7.98 5.60 0.00 3.11 3.22 0.00 5.57 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 48 Y 8.50 5.24 0.00 2.48 2.71 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 0.00 0.00 0.00 0.00 49 S 7.83 4.29 0.00 3.56 2.63 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 50 Y 8.34 4.75 0.00 2.87 2.82 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 51 G 7.32 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 0.00 0.00 0.00 0.00 52 A 8.31 4.20 1.25 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 0.00 0.00 0.00 0.00 0.00 53 G 9.07 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 0.00 0.00 0.00 0.00 54 S 7.28 4.71 0.00 3.96 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 55 T 7.47 4.24 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 1.32 0.00 0.00 56 E 8.23 4.50 0.00 1.16 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 1.96 2.13 0.00 57 K 8.54 4.64 0.00 1.76 1.81 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 58 G 9.06 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 0.00 0.00 0.00 0.00 59 D 9.17 4.92 0.00 2.65 2.78 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 0.00 60 I 7.23 4.72 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.97 0.00 0.00 61 P 0.00 4.40 0.00 2.31 2.32 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 62 D 8.12 4.30 0.00 2.71 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 63 G 8.64 3.57 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 0.00 0.00 0.00 *65 Y 7.37 4.70 0.00 3.06 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 66 K 8.83 4.74 0.00 1.58 1.67 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.47 7.81 67 A 7.95 4.53 1.11 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 0.00 0.00 68 S 8.07 4.25 0.00 3.91 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 69 R 8.77 4.98 0.00 1.97 1.98 0.00 3.73 0.00 0.00 3.40 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 70 P 0.00 4.28 0.00 2.07 2.13 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 71 S 7.36 4.72 0.00 4.08 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 72 Q 8.62 4.08 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 73 E 8.30 4.32 0.00 2.03 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 2.39 2.36 0.00 74 Q 7.67 5.10 0.00 2.34 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 75 F 8.83 5.67 0.00 3.00 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 76 S 8.52 4.97 0.00 3.76 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 77 L 7.62 4.52 0.00 0.46 0.13 0.68 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.91 4.98 1.77 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 1.11 0.24 0.83 0.00 0.00 79 L 8.48 4.82 0.00 1.50 1.48 0.65 1.02 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 80 E 8.44 3.85 0.00 1.88 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 2.28 2.31 0.00 81 S 7.78 4.40 0.00 3.80 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 82 A 8.69 4.40 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 83 T 8.16 4.75 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 1.20 0.00 0.00 84 P 0.00 4.43 0.00 2.22 2.09 0.00 3.67 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 2.11 2.11 0.00 85 S 7.60 3.97 0.00 3.88 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 86 Q 7.99 4.30 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 87 T 7.46 4.31 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 1.29 0.00 0.00 88 S 7.84 4.41 0.00 3.92 3.30 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 89 V 7.74 4.65 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 0.94 0.00 0.00 0.92 0.00 0.00 90 Y 8.83 5.27 0.00 3.07 3.16 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 91 F 9.22 5.25 0.00 3.28 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 92 C 8.97 5.07 0.00 1.23 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 93 A 8.75 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.60 5.26 0.00 3.95 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 95 G 8.89 4.50 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 0.00 0.00 0.00 96 G 9.40 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 G 7.22 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 0.00 0.00 0.00 0.00 98 G 9.27 3.77 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 0.00 0.00 0.00 99 T 7.75 3.85 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 0.52 0.00 0.00 100 L 7.82 5.09 0.00 1.37 1.21 0.51 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.63 4.49 0.00 2.84 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 *108 F 7.96 5.44 0.00 2.82 3.25 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 0.00 0.00 0.00 109 G 8.45 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 0.00 0.00 0.00 0.00 110 A 8.65 4.47 1.37 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 0.00 0.00 111 G 9.77 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 0.00 112 T 7.60 4.65 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 113 R 8.87 4.93 0.00 1.85 1.74 0.00 3.08 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 114 L 8.40 5.76 0.00 1.98 1.67 0.99 0.84 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 0.00 115 S 8.65 4.69 0.00 3.78 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 0.00 116 V 8.22 4.60 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 0.77 0.00 0.00 0.95 0.00 0.00 117 L 8.64 4.28 0.00 1.65 1.56 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.