NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7841 8.2133 109.7246 45.5144 0.0000 175.3166 *2 D 4.4945 7.8538 119.6745 54.1476 43.1012 177.6472 3 K 3.5088 7.9438 119.2282 59.1253 32.0904 178.2364 4 L 3.9651 7.2250 119.9222 58.5633 42.0086 178.8769 5 N 4.3850 8.0149 115.6848 55.9906 38.4478 176.9332 6 E 3.9487 8.3013 121.0452 59.5923 29.6810 178.5945 7 Y 4.3592 8.3545 117.1676 60.9731 37.9079 178.3511 8 R 3.6097 8.4027 119.4586 59.4883 30.2183 178.9878 9 T 3.8004 7.7939 115.2430 66.8643 68.5157 176.8526 10 K 3.9776 8.2673 120.3502 59.3061 32.0428 179.7417 11 V 3.4455 7.8308 118.7527 66.0269 31.4110 178.4095 12 R 3.4263 7.6869 117.7803 58.9894 29.7115 179.0990 13 Q 4.0338 8.1562 118.1352 58.6707 28.7555 178.4503 14 L 3.9586 7.8826 121.4478 58.1307 42.1923 179.0311 15 L 4.1100 7.9490 119.0094 58.1096 41.4586 179.5280 16 T 3.9410 8.1618 115.7705 66.4571 68.4780 176.3324 17 K 3.9522 8.3072 121.6338 60.1584 31.8535 178.6252 18 H 4.2577 8.2067 115.8132 58.4157 28.3278 177.5076 19 L 3.7768 7.8050 121.5815 57.4016 41.9339 177.9876 20 Q 4.4348 7.4773 117.6496 58.0409 29.5321 177.6608 *21 Y 4.1036 8.1654 121.4761 61.9844 37.1165 179.2783 22 K 4.7119 7.0988 117.0188 52.5235 38.5465 176.5560 *26 G 4.0685 7.8952 107.6316 45.8055 0.0000 175.2933 27 D 5.0475 8.4373 121.9015 52.5735 39.6507 173.8126 28 V 4.8047 7.6161 118.0285 61.1028 34.2919 175.0822 29 E 4.6431 8.9914 127.1237 54.8257 31.9508 175.0886 30 V 4.5117 8.2725 123.6948 61.6779 32.5863 174.8099 31 E 4.5389 9.2637 128.4161 55.2233 31.7088 174.8765 32 Q 4.6250 8.3346 123.6296 54.6689 30.8990 175.1514 33 I 4.4428 9.0455 126.8840 59.5549 39.8718 173.3533 34 F 5.3915 8.6771 125.0645 55.6480 41.1795 174.7915 35 D 4.6627 8.6278 124.3421 52.4539 42.2167 175.9167 36 E 4.2179 8.7575 127.6777 58.0829 30.3917 178.1441 37 E 3.8727 8.4683 118.7603 59.4077 29.4227 177.1941 38 H 4.3871 8.1340 111.4403 54.8809 29.9163 174.4280 39 D 4.2245 7.2428 118.9788 55.9956 38.8475 172.9180 40 H 5.6997 7.4315 114.9570 53.4019 32.0890 174.6090 41 Y 5.1767 8.9868 120.3399 56.3547 41.4547 174.2940 42 Q 4.8522 9.8137 125.7796 54.1013 33.2665 173.6851 43 I 5.0811 8.3790 117.4325 59.2260 41.0126 173.9850 44 I 4.7618 8.6815 124.2490 59.5081 42.0671 173.7028 45 S 4.9546 8.5785 124.8622 57.7150 64.5253 173.5191 46 V 4.6081 9.2805 124.5045 60.3103 34.3831 174.1779 47 G 4.2444 7.7513 117.2074 45.9440 0.0000 171.2557 48 W 5.3802 8.4199 122.3264 55.1440 33.4223 173.6614 49 N 5.3975 9.3248 121.5377 52.3645 39.6009 176.3909 50 N 4.0981 8.5274 126.2305 54.6905 39.0566 175.7804 51 Q 4.2889 7.0781 115.0024 56.4322 29.5286 174.7014 52 H 4.7384 8.5507 120.1968 54.8112 30.3036 173.9155 53 R 2.8957 8.5248 128.1761 56.1021 30.5496 175.3998 54 I 4.1292 7.8139 128.3659 60.1153 38.8774 174.6390 55 Y 4.6272 7.6002 128.3108 56.5475 41.5951 174.0099 56 G 4.2132 7.7456 117.9548 45.0541 0.0000 170.0261 57 P 4.7091 0.0000 0.0000 63.7561 31.6050 176.3875 58 I 4.2913 8.9541 123.7555 62.0263 38.9665 174.8966 *60 H 5.1019 7.9904 121.8583 55.9957 31.2647 171.7944 61 L 5.4644 9.2855 125.6024 53.1818 45.4786 175.4011 62 D 5.6620 9.3739 123.0448 52.6669 44.4253 175.0546 63 I 5.1348 8.4022 122.3283 59.6949 39.2798 175.6670 64 K 4.4803 9.1792 126.3794 55.9886 35.7252 176.3730 65 N 4.3263 9.7573 121.6354 54.9210 36.1385 173.5597 66 N 4.4264 8.4384 107.3993 54.4348 36.7698 174.5950 67 K 4.9999 8.2455 115.4481 54.7532 36.6966 175.7228 68 I 4.7242 8.7751 124.9820 60.1706 38.6558 174.7907 69 W 4.9891 9.7590 128.8378 55.3038 31.0299 175.8777 70 I 4.4102 8.6162 127.4367 60.7188 36.7234 176.4368 71 Q 4.4311 9.2263 127.9231 57.7697 29.6542 176.6480 72 Q 4.3881 7.9541 116.7747 55.1108 31.8428 173.2237 73 N 4.7526 8.1438 122.9463 53.4962 40.5559 173.4464 74 T 4.3621 9.0939 117.3774 61.5117 69.1050 174.2668 75 T 4.6843 7.7631 112.5718 60.2767 71.2425 173.3860 76 E 4.2295 8.5121 117.1024 56.5261 30.2354 176.6074 77 A 3.9985 7.6708 123.2911 52.4482 19.1163 177.6391 78 D 4.6991 8.3404 120.1636 52.9374 41.7288 177.2822 79 I 3.7547 8.0979 128.9665 63.8677 37.0529 178.0721 80 A 3.7799 7.7370 120.4775 55.1937 18.3431 179.0731 81 L 4.1290 7.6513 115.9096 58.1812 41.7542 179.4568 82 E 4.1967 8.0012 117.5181 59.0074 29.5123 179.3212 83 L 4.1848 8.1140 118.5460 54.6617 41.9277 177.2077 *85 E 4.1641 8.2398 117.1216 56.1992 30.6161 175.8249 *87 G 3.8399 7.9832 101.8933 45.1377 0.0000 172.9171 88 I 4.3890 7.3010 120.8053 58.7831 38.7449 175.7380 89 D 4.4371 8.6733 124.7406 54.0728 41.3412 176.8300 90 K 3.9974 8.8628 126.5308 59.6682 32.1634 177.7010 91 Q 4.3920 8.3136 114.5128 56.5983 29.1972 175.3793 92 D 4.9999 8.2334 118.0344 53.9062 42.5539 175.3426 93 I 4.7914 7.5759 119.7281 59.3647 40.2305 174.5789 94 V 4.2800 8.3622 127.0794 60.9238 34.0722 174.7799 95 I 3.7606 7.8755 128.8899 59.9786 36.3534 176.7404 96 G 3.7542 8.6349 117.7341 47.8389 0.0000 172.6420 97 F 4.7524 7.5201 112.7780 56.9356 38.3029 174.7565 98 H 4.9450 7.3221 118.9551 54.0682 30.2386 175.0763 99 T 4.0740 8.3419 113.3309 61.0924 69.1950 172.1579 100 P 4.3727 0.0000 0.0000 66.1411 31.3914 179.4207 101 K 4.0422 7.4467 114.3393 56.6448 31.0123 179.2562 *103 R 4.3923 7.9850 119.3846 56.4580 31.9312 178.0839 104 Q 3.7998 7.7077 114.3749 57.8299 28.7881 176.9897 105 L 4.5250 7.1282 118.1357 55.0956 43.0614 177.2610 106 S 4.4849 7.6922 112.0435 58.1904 63.1166 175.5881 107 G 3.7294 8.5527 109.2084 45.3208 0.0000 173.0505 108 F 4.8256 7.3997 117.1569 55.4731 42.1629 173.6935 109 A 4.1492 8.1682 124.8588 52.5554 18.6695 178.5951 110 V 3.6042 8.3692 122.7531 65.7320 32.0738 175.5239 111 E 4.2885 7.7352 123.9304 56.7564 29.3639 174.7370 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 0 G 8.21 3.78 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 0.00 0.00 0.00 *2 D 7.85 4.49 0.00 2.69 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 3 K 7.94 3.51 0.00 1.59 1.55 0.00 1.57 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.62 0.70 7.81 4 L 7.22 3.97 0.00 2.13 1.63 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.01 4.39 0.00 2.74 2.83 0.00 0.00 6.70 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 6 E 8.30 3.95 0.00 2.10 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 0.00 2.45 2.39 0.00 7 Y 8.35 4.36 0.00 3.21 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 8 R 8.40 3.61 0.00 1.95 1.88 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 9 T 7.79 3.80 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 1.20 0.00 0.00 10 K 8.27 3.98 0.00 1.85 1.82 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.60 7.81 11 V 7.83 3.45 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 0.63 0.00 0.00 0.84 0.00 0.00 12 R 7.69 3.43 0.00 1.91 1.86 0.00 3.01 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.81 0.00 13 Q 8.16 4.03 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 14 L 7.88 3.96 0.00 1.85 1.81 0.90 0.74 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 15 L 7.95 4.11 0.00 1.90 1.99 1.05 0.87 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 16 T 8.16 3.94 4.59 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 1.26 0.00 0.00 17 K 8.31 3.95 0.00 1.91 2.01 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.45 7.81 18 H 8.21 4.26 0.00 3.40 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.81 3.78 0.00 1.87 1.89 0.84 0.80 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 20 Q 7.48 4.43 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 *21 Y 8.17 4.10 0.00 2.45 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 0.00 0.00 0.00 0.00 22 K 7.10 4.71 0.00 1.87 2.04 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.44 7.81 *26 G 7.90 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 27 D 8.44 5.05 0.00 2.76 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 28 V 7.62 4.80 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 0.77 0.00 0.00 0.92 0.00 0.00 29 E 8.99 4.64 0.00 1.91 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 2.27 2.39 0.00 30 V 8.27 4.51 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 0.77 0.00 0.00 0.91 0.00 0.00 31 E 9.26 4.54 0.00 1.85 1.78 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 2.24 2.21 0.00 32 Q 8.33 4.63 0.00 1.76 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 33 I 9.05 4.44 1.89 0.00 0.00 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 1.19 0.65 0.91 0.00 0.00 34 F 8.68 5.39 0.00 2.93 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 35 D 8.63 4.66 0.00 2.60 2.45 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 36 E 8.76 4.22 0.00 2.18 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 2.44 2.42 0.00 37 E 8.47 3.87 0.00 1.92 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 0.00 2.22 2.08 0.00 38 H 8.13 4.39 0.00 3.00 2.98 0.00 6.05 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 39 D 7.24 4.22 0.00 2.82 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 40 H 7.43 5.70 0.00 2.92 3.06 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.99 5.18 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 42 Q 9.81 4.85 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 43 I 8.38 5.08 1.88 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 1.30 0.94 1.01 0.00 0.00 44 I 8.68 4.76 1.94 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.75 0.83 0.00 0.00 45 S 8.58 4.95 0.00 3.69 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 46 V 9.28 4.61 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 1.08 0.00 0.00 0.88 0.00 0.00 47 G 7.75 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 48 W 8.42 5.38 0.00 3.44 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 49 N 9.32 5.40 0.00 2.77 2.79 0.00 0.00 6.81 6.70 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 50 N 8.53 4.10 0.00 2.90 2.10 0.00 0.00 7.26 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 51 Q 7.08 4.29 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 52 H 8.55 4.74 0.00 3.27 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.52 2.90 0.00 1.26 1.55 0.00 2.58 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.00 54 I 7.81 4.13 1.60 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.82 0.80 0.00 0.00 55 Y 7.60 4.63 0.00 2.81 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 56 G 7.75 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 57 P 0.00 4.71 0.00 1.91 2.01 0.00 3.57 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 58 I 8.95 4.29 1.93 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 1.04 1.41 0.87 0.00 0.00 *60 H 7.99 5.10 0.00 3.28 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.29 5.46 0.00 1.65 1.57 0.89 0.80 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 62 D 9.37 5.66 0.00 2.63 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 63 I 8.40 5.13 2.02 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 1.35 0.81 1.15 0.00 0.00 64 K 9.18 4.48 0.00 1.65 1.52 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.46 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.16 1.08 7.81 65 N 9.76 4.33 0.00 2.95 2.94 0.00 0.00 7.17 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 66 N 8.44 4.43 0.00 2.90 2.94 0.00 0.00 6.96 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 67 K 8.25 5.00 0.00 2.07 1.70 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.51 7.81 68 I 8.78 4.72 1.69 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.32 0.86 0.00 0.00 69 W 9.76 4.99 0.00 3.20 3.20 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 0.00 70 I 8.62 4.41 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.85 1.10 0.00 0.00 71 Q 9.23 4.43 0.00 1.85 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.55 0.00 0.00 0.00 0.00 0.00 2.63 2.43 0.00 72 Q 7.95 4.39 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 73 N 8.14 4.75 0.00 2.61 2.51 0.00 0.00 7.00 7.70 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 74 T 9.09 4.36 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 1.19 0.00 0.00 75 T 7.76 4.68 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 1.20 0.00 0.00 76 E 8.51 4.23 0.00 2.09 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 0.00 2.24 2.24 0.00 77 A 7.67 4.00 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 D 8.34 4.70 0.00 2.73 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 79 I 8.10 3.75 1.84 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 1.51 0.51 0.87 0.00 0.00 80 A 7.74 3.78 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 81 L 7.65 4.13 0.00 1.78 1.78 0.95 1.33 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 82 E 8.00 4.20 0.00 2.17 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 0.00 2.37 2.48 0.00 83 L 8.11 4.18 0.00 1.72 1.55 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *85 E 8.24 4.16 0.00 2.41 2.14 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 2.19 1.89 0.00 *87 G 7.98 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 0.00 0.00 0.00 88 I 7.30 4.39 1.87 0.00 0.00 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 0.89 0.64 0.64 0.00 0.00 89 D 8.67 4.44 0.00 2.80 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 90 K 8.86 4.00 0.00 1.79 1.74 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.49 7.81 91 Q 8.31 4.39 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.08 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 92 D 8.23 5.00 0.00 2.80 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 93 I 7.58 4.79 1.97 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 0.94 0.64 0.51 0.00 0.00 94 V 8.36 4.28 0.67 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 -0.32 0.00 0.00 0.22 0.00 0.00 95 I 7.88 3.76 1.30 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.29 -0.57 0.00 0.00 96 G 8.63 3.75 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 0.00 0.00 0.00 97 F 7.52 4.75 0.00 3.16 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 98 H 7.32 4.94 0.00 3.12 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.34 4.07 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 0.00 100 P 0.00 4.37 0.00 2.21 2.20 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 101 K 7.45 4.04 0.00 1.89 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.28 7.81 *103 R 7.99 4.39 0.00 2.08 1.94 0.00 3.37 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.75 0.00 104 Q 7.71 3.80 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 105 L 7.13 4.52 0.00 1.65 1.67 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.69 4.48 0.00 3.99 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 0.00 107 G 8.55 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 0.00 108 F 7.40 4.83 0.00 2.84 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 0.00 109 A 8.17 4.15 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 0.00 110 V 8.37 3.60 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 0.84 0.00 0.00 0.97 0.00 0.00 111 E 7.74 4.29 0.00 1.97 1.78 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 2.37 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.