NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7110 8.2493 122.4673 51.8253 20.0988 175.7357 3 K 4.5346 8.8255 120.0732 54.4505 36.4369 173.0613 4 T 4.9885 9.1704 117.0250 60.9604 68.7768 175.8319 5 L 4.3228 9.0757 127.9566 57.1270 43.0241 176.6883 6 G 4.4075 7.9358 103.3820 45.1550 0.0000 171.8586 7 L 5.1869 9.0085 122.7037 53.1717 45.2091 174.5459 8 H 5.1211 9.1993 126.1293 54.4799 32.6133 171.9955 9 I 4.9695 9.0165 127.5721 59.3383 39.7016 174.7495 10 L 5.3985 8.7680 126.3406 54.0224 43.7693 175.3653 11 A 5.2383 9.1053 122.2434 50.6431 23.5478 174.5282 12 D 5.1970 9.3113 121.4104 52.6976 43.3925 175.3514 13 L 5.0276 8.9144 124.8921 53.4737 43.6143 175.6194 14 Y 4.8600 9.2620 121.6849 56.7003 41.5577 176.2823 15 G 4.0603 8.8459 107.5313 46.4960 0.0000 173.5662 16 V 3.9683 7.8763 120.1672 61.1797 32.4708 175.3172 17 D 4.4776 8.7476 126.5366 54.5598 41.3171 177.3997 18 A 4.0448 8.8166 126.7321 55.2452 18.5629 179.1695 19 D 4.4302 7.9675 113.8316 55.6503 39.7581 177.4503 20 K 4.2513 7.7886 118.6677 57.7968 32.3689 177.4009 21 I 4.7190 7.4470 111.4665 60.4480 38.4346 175.8172 22 D 4.5510 8.2397 122.8909 54.9527 39.9316 176.1401 23 R 4.9054 8.2544 118.0058 53.5453 33.4431 176.8778 24 V 3.5718 8.2329 118.4309 66.2075 31.4090 177.6600 25 E 3.8190 8.1989 117.8681 59.7343 29.1819 179.1184 26 D 4.3159 7.6901 117.4821 57.5206 40.9692 178.9158 27 I 3.7377 7.6779 119.6932 64.2878 37.0881 178.2487 28 R 3.5672 8.0532 121.1406 58.7812 29.7692 178.3319 29 E 3.9232 8.1234 118.2310 59.2943 29.4934 178.8878 30 L 4.0662 8.1329 120.3765 58.6064 42.1613 179.2237 31 L 4.1798 8.6364 119.0308 57.7449 41.6036 179.4336 32 E 4.1280 8.7232 119.2111 59.3297 29.3966 179.6092 33 G 3.6432 8.7891 107.1923 46.8624 0.0000 175.8136 34 A 3.6132 8.0639 123.0144 54.8886 18.4313 179.6120 35 V 3.5334 7.8261 116.8436 66.3071 31.5556 178.4564 36 K 3.9198 7.8698 117.7638 59.6537 31.7094 178.7391 37 Y 3.9496 7.6346 118.2757 60.2756 38.7339 177.1888 38 A 4.2021 8.2540 119.0509 51.0976 19.3590 176.2440 39 N 4.0557 7.7822 114.7473 54.3889 38.0092 173.8385 40 L 4.5783 8.0009 115.3655 53.7550 43.8346 176.4900 41 T 4.5004 8.2581 115.9841 60.4265 69.2959 173.1458 42 K 4.6160 8.6049 129.9439 55.9927 33.2840 175.9423 43 I 4.2831 8.6986 128.3774 63.1136 37.9871 175.8366 44 S 4.7338 7.6180 113.9008 57.7489 66.3045 172.7260 45 S 4.9324 8.1118 113.5761 57.1963 65.8654 173.2030 46 H 4.9560 8.9239 119.1758 54.3751 32.8660 172.0555 47 Y 5.2932 8.7161 118.9903 56.4918 42.5050 173.7802 48 Y 4.5994 8.8525 121.7546 56.1386 42.6847 173.3415 49 Q 4.4816 7.5327 127.5899 54.7773 30.0733 174.6514 50 F 4.8585 9.0478 125.4822 56.2240 41.6651 174.9769 51 Q 4.8076 8.6381 119.7947 53.8629 30.4847 174.2743 52 P 4.4590 0.0000 0.0000 63.0539 31.8104 174.9033 53 H 4.3257 7.4699 113.8696 55.9009 31.5359 174.4382 54 G 3.9917 10.0277 105.4016 45.9912 0.0000 172.2287 55 A 5.1630 8.5404 120.4400 51.0685 23.4146 175.2226 56 T 5.0947 8.8924 115.6158 61.9619 72.1498 174.0550 57 G 4.3675 8.9129 111.5508 44.6819 0.0000 171.9342 58 V 4.9435 8.4459 123.8626 59.7606 35.3386 174.5043 59 V 4.6685 8.8862 123.5976 61.0474 34.4495 174.0854 60 L 4.7913 8.5728 128.5545 54.2419 42.7380 176.4744 61 L 4.9244 8.7789 124.2482 52.9129 43.7252 176.3978 62 A 4.4205 7.9991 121.3184 53.1899 18.2729 178.0071 *64 S 4.2892 8.3380 118.0626 58.4554 65.8658 176.5648 65 H 5.7282 5.2900 120.0406 56.5044 33.0451 174.1424 66 I 5.2608 8.2445 119.2794 59.6533 40.6779 174.8121 67 S 5.2042 9.2753 120.4147 57.0241 67.1708 172.7465 68 I 5.0516 8.5216 120.3847 60.2935 41.7569 173.0559 69 H 5.4623 9.2397 126.0239 54.1938 32.2078 172.7303 70 T 5.1531 7.9702 111.1434 60.0154 72.3644 174.2193 71 W 4.8720 9.4459 122.3918 54.2883 31.0992 173.8671 72 P 4.2511 0.0000 0.0000 65.3759 31.0881 178.8575 73 E 4.0102 8.2597 114.0325 58.7239 29.4612 177.0156 74 H 4.7932 8.2174 114.7393 54.5579 29.5950 174.1567 75 G 4.2370 8.1757 108.0795 46.1734 0.0000 172.6713 76 L 5.7065 8.1400 118.9889 51.9394 45.6823 174.7740 77 A 5.3588 8.3385 125.8155 50.6032 22.9372 174.5740 78 T 4.9704 9.3743 113.7554 60.0732 70.9919 173.7302 79 V 5.0467 8.9460 126.8165 61.0344 34.8608 173.9195 80 D 5.3068 9.2421 125.8969 52.6155 45.0043 174.7215 81 V 4.4821 9.4240 123.2928 61.3338 34.4317 173.6498 82 Y 5.4035 9.1793 131.1215 56.1506 40.9536 174.3518 83 T 5.0089 8.9579 116.7524 59.9965 72.7692 172.7238 84 C 5.2336 8.3074 118.9569 58.5353 30.2928 173.3914 85 G 4.2929 9.1175 121.8873 45.0401 0.0000 173.8474 86 D 4.7606 7.5860 127.9175 51.2744 40.6134 175.4169 87 P 4.4158 0.0000 0.0000 65.4213 31.4577 178.4516 88 S 4.3939 8.2278 112.5771 61.3178 62.6904 176.6792 89 K 4.0305 8.1437 121.8095 59.1016 31.5832 179.0618 90 A 3.9932 7.9760 119.7106 55.4506 18.4524 178.8086 91 Y 4.1780 7.8648 113.9335 61.2858 38.1723 178.7148 92 R 4.4183 8.4762 118.8400 59.2018 30.1797 179.4556 93 A 4.4285 8.2242 116.8636 53.3546 18.1304 178.6951 *95 D 4.5506 8.0240 122.1913 56.0211 42.6814 177.4407 96 Y 3.6300 8.3363 119.5654 60.6327 38.7642 177.8581 97 I 3.6570 7.9638 120.5925 64.6326 37.2775 178.4543 98 I 3.7050 7.6990 119.9777 64.6470 36.8109 178.4896 99 T 3.8783 7.6598 109.2860 64.8535 68.5498 176.2787 100 Q 3.8984 7.6759 120.2375 58.5445 28.7906 178.1646 101 L 4.0658 7.9200 118.4472 54.7391 43.1701 176.5505 102 N 4.0292 8.1010 116.3108 53.8769 37.3997 171.5986 103 P 4.5844 0.0000 0.0000 62.5789 32.9291 177.2151 104 K 4.3459 8.7286 119.2765 58.3747 32.9724 177.6993 105 R 4.8304 7.9416 117.0568 54.4824 34.5234 174.5624 106 I 5.2769 8.3159 121.3381 59.7571 41.7202 174.2161 107 D 4.8204 9.0053 123.9165 52.5450 43.7885 174.2752 108 K 5.2297 8.6949 126.1516 55.0990 35.9342 174.9155 109 Q 4.6667 8.7635 121.6199 54.6182 33.6896 173.6903 110 V 4.8419 8.2257 121.5136 61.4319 34.5081 174.3245 111 H 4.9909 9.1213 123.7087 54.0349 32.8191 172.2241 112 E 4.7675 8.8461 122.0200 55.3656 30.2289 175.6594 113 R 4.1986 8.9830 125.2339 55.6965 32.1237 173.0313 114 G 3.6013 9.0471 117.6350 45.3788 0.0000 170.9055 115 I 4.8193 7.9946 125.9684 59.4328 38.7804 175.7342 116 V 4.6114 8.4521 119.8566 59.1109 35.5266 175.3521 117 E 4.4368 8.8592 122.4688 56.9088 29.5949 176.7348 118 E 4.4568 8.8710 120.5163 56.5117 31.2170 176.1829 119 E 4.7433 8.0194 117.1087 54.2596 32.1023 174.9882 120 S 4.7175 8.3125 115.4592 56.2852 65.9393 172.8165 121 N 4.6626 8.4276 119.6750 51.8507 39.0688 174.6965 122 Q 4.1771 8.7022 122.9591 56.5945 28.5347 176.2124 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 8.25 4.71 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 3 K 8.83 4.53 0.00 1.81 1.88 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.47 7.81 4 T 9.17 4.99 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 1.25 0.00 0.00 5 L 9.08 4.32 0.00 1.85 1.74 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 6 G 7.94 4.41 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 0.00 7 L 9.01 5.19 0.00 1.79 1.49 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.20 5.12 0.00 2.29 2.76 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 9.02 4.97 1.79 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.37 0.85 0.00 0.00 10 L 8.77 5.40 0.00 1.70 1.75 0.91 0.22 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 11 A 9.11 5.24 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 12 D 9.31 5.20 0.00 2.80 2.53 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 13 L 8.91 5.03 0.00 1.56 1.62 0.94 0.59 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 14 Y 9.26 4.86 0.00 2.88 2.86 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 15 G 8.85 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 16 V 7.88 3.97 2.23 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 1.01 0.00 0.00 0.95 0.00 0.00 17 D 8.75 4.48 0.00 2.77 2.87 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 0.00 0.00 0.00 18 A 8.82 4.04 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 19 D 7.97 4.43 0.00 2.79 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 20 K 7.79 4.25 0.00 1.93 1.89 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.36 7.81 21 I 7.45 4.72 1.89 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 1.52 0.66 0.93 0.00 0.00 22 D 8.24 4.55 0.00 2.87 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 23 R 8.25 4.91 0.00 1.87 1.99 0.00 3.28 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 24 V 8.23 3.57 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 0.86 0.00 0.00 0.85 0.00 0.00 25 E 8.20 3.82 0.00 2.03 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 2.36 2.42 0.00 26 D 7.69 4.32 0.00 2.81 2.86 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 27 I 7.68 3.74 2.09 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 1.72 0.86 1.16 0.00 0.00 28 R 8.05 3.57 0.00 0.80 1.81 0.00 2.79 0.00 0.00 3.07 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.23 0.00 29 E 8.12 3.92 0.00 2.28 2.01 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 2.32 2.28 0.00 30 L 8.13 4.07 0.00 1.90 2.01 0.89 0.90 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 31 L 8.64 4.18 0.00 1.89 1.82 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.72 4.13 0.00 2.19 2.01 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 2.38 2.63 0.00 33 G 8.79 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 0.00 0.00 0.00 34 A 8.06 3.61 1.53 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 35 V 7.83 3.53 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 1.14 0.00 0.00 0.97 0.00 0.00 36 K 7.87 3.92 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.67 7.81 37 Y 7.63 3.95 0.00 2.51 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 38 A 8.25 4.20 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.78 4.06 0.00 2.78 2.82 0.00 0.00 7.10 7.12 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 40 L 8.00 4.58 0.00 1.55 1.57 0.94 0.72 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 41 T 8.26 4.50 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 1.22 0.00 0.00 42 K 8.60 4.62 0.00 1.80 1.67 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.54 7.81 43 I 8.70 4.28 1.99 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 1.27 0.67 0.91 0.00 0.00 44 S 7.62 4.73 0.00 3.81 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 45 S 8.11 4.93 0.00 3.76 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 46 H 8.92 4.96 0.00 2.99 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.72 5.29 0.00 2.92 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 48 Y 8.85 4.60 0.00 2.88 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.53 4.48 0.00 1.82 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.60 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 50 F 9.05 4.86 0.00 3.24 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 51 Q 8.64 4.81 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.10 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 52 P 0.00 4.46 0.00 2.09 2.09 0.00 3.69 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 1.38 1.79 0.00 53 H 7.47 4.33 0.00 3.11 3.33 0.00 5.73 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 54 G 10.03 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 55 A 8.54 5.16 1.24 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 56 T 8.89 5.09 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 1.27 0.00 0.00 57 G 8.91 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 0.00 0.00 0.00 0.00 58 V 8.45 4.94 2.01 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 0.82 0.00 0.00 0.88 0.00 0.00 59 V 8.89 4.67 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 0.99 0.00 0.00 0.90 0.00 0.00 60 L 8.57 4.79 0.00 1.71 1.55 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.78 4.92 0.00 1.52 1.55 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.00 4.42 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 *64 S 8.34 4.29 0.00 3.40 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 65 H 5.29 5.73 0.00 3.24 3.29 0.00 5.48 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 66 I 8.24 5.26 1.89 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 1.42 0.69 1.01 0.00 0.00 67 S 9.28 5.20 0.00 3.77 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 68 I 8.52 5.05 1.90 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 1.25 1.39 1.00 0.00 0.00 69 H 9.24 5.46 0.00 3.20 2.78 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.97 5.15 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 1.22 0.00 0.00 71 W 9.45 4.87 0.00 3.28 3.17 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 72 P 0.00 4.25 0.00 1.77 1.99 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 73 E 8.26 4.01 0.00 2.04 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 1.97 2.16 0.00 74 H 8.22 4.79 0.00 3.18 3.31 0.00 6.00 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 75 G 8.18 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 76 L 8.14 5.71 0.00 1.50 1.49 0.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.34 5.36 1.24 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 78 T 9.37 4.97 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 79 V 8.95 5.05 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 1.09 0.00 0.00 0.98 0.00 0.00 80 D 9.24 5.31 0.00 2.71 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 81 V 9.42 4.48 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 0.92 0.00 0.00 0.97 0.00 0.00 82 Y 9.18 5.40 0.00 2.51 2.51 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 83 T 8.96 5.01 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 84 C 8.31 5.23 0.00 2.92 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 85 G 9.12 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 86 D 7.59 4.76 0.00 2.74 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 87 P 0.00 4.42 0.00 2.32 2.30 0.00 3.67 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 88 S 8.23 4.39 0.00 4.09 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 89 K 8.14 4.03 0.00 2.06 1.92 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.47 7.81 90 A 7.98 3.99 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 91 Y 7.86 4.18 0.00 3.16 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 92 R 8.48 4.42 0.00 2.12 2.16 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 93 A 8.22 4.43 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 *95 D 8.02 4.55 0.00 3.08 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 96 Y 8.34 3.63 0.00 2.62 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 97 I 7.96 3.66 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.98 0.94 0.00 0.00 98 I 7.70 3.70 1.87 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 1.71 0.61 0.91 0.00 0.00 99 T 7.66 3.88 4.11 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 1.24 0.00 0.00 100 Q 7.68 3.90 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.05 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 101 L 7.92 4.07 0.00 1.60 1.71 0.93 0.93 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 0.00 102 N 8.10 4.03 0.00 2.79 2.73 0.00 0.00 7.21 7.41 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 0.00 103 P 0.00 4.58 0.00 2.49 2.07 0.00 3.89 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 104 K 8.73 4.35 0.00 1.69 1.92 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 105 R 7.94 4.83 0.00 1.70 1.65 0.00 2.97 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 106 I 8.32 5.28 1.91 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 1.30 0.66 0.97 0.00 0.00 107 D 9.01 4.82 0.00 2.83 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 0.00 108 K 8.69 5.23 0.00 1.78 1.64 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.53 7.81 109 Q 8.76 4.67 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 110 V 8.23 4.84 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 0.78 0.00 0.00 0.92 0.00 0.00 111 H 9.12 4.99 0.00 2.90 3.00 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.85 4.77 0.00 1.86 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 2.29 2.35 0.00 113 R 8.98 4.20 0.00 1.75 1.86 0.00 3.18 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.00 114 G 9.05 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 0.00 0.00 0.00 115 I 7.99 4.82 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 1.36 0.67 0.92 0.00 0.00 116 V 8.45 4.61 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 0.82 0.00 0.00 1.00 0.00 0.00 117 E 8.86 4.44 0.00 1.86 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 0.00 2.32 2.29 0.00 118 E 8.87 4.46 0.00 1.95 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 2.24 2.35 0.00 119 E 8.02 4.74 0.00 1.90 1.83 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 2.21 2.31 0.00 120 S 8.31 4.72 0.00 3.94 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 0.00 121 N 8.43 4.66 0.00 2.68 2.77 0.00 0.00 6.99 7.08 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 0.00 122 Q 8.70 4.18 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.42 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.