NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.2771 8.2601 123.5903 51.6843 19.8836 176.6694 41 A 4.2094 8.5204 125.4806 50.6725 19.1609 174.5974 42 P 4.4946 0.0000 0.0000 62.3539 32.8570 175.0956 43 E 4.2853 8.4629 119.5382 56.1896 29.9987 177.1760 44 S 4.7850 8.3865 116.0055 58.8392 64.1656 172.8909 45 F 5.0848 8.5577 114.4796 56.0986 41.6849 173.0729 46 D 5.1212 8.6909 118.9916 53.6094 43.7449 173.8695 47 E 4.7885 9.3312 123.1600 55.5552 33.8937 173.8456 48 V 4.6904 8.3417 120.2171 61.5718 32.8703 174.2309 49 Y 4.6305 9.2521 129.3865 56.8134 41.1178 175.5023 50 K 3.5473 9.2263 127.7339 57.4885 29.6434 175.8750 51 G 3.9654 8.1998 103.5740 45.6344 0.0000 173.4459 52 R 4.6649 8.0394 118.8033 53.9190 33.5986 174.4756 53 R 4.8339 9.1209 122.3747 55.9069 31.3369 174.9901 54 I 5.1624 8.9719 120.7225 59.3492 40.3786 174.6660 55 Q 4.7278 9.1718 123.8420 53.9997 33.1097 174.5167 56 G 4.0578 7.6532 108.4858 44.5521 0.0000 171.5706 57 R 4.7909 7.8414 117.7283 53.6185 33.0343 173.0289 58 P 4.5309 0.0000 0.0000 62.8982 31.4693 174.2281 59 A 4.2843 8.1181 120.6477 53.7713 21.4320 177.5980 *71 G 4.1053 7.6516 97.6032 45.2351 0.0000 170.3539 72 Y 5.2968 8.0924 119.3365 55.9531 42.1470 173.7480 73 E 4.7023 8.7273 124.9504 54.4307 33.1283 175.1071 74 V 4.8645 7.9424 122.1725 61.0876 35.3275 174.0230 75 F 5.3090 9.4213 124.8239 55.6224 43.2947 174.0667 76 V 4.7084 8.9361 122.4420 61.4517 33.8866 175.4264 77 D 4.5520 10.3268 130.3834 55.4537 38.9292 175.0966 78 G 3.9007 8.5123 105.1369 45.3320 0.0000 173.6589 79 V 4.3443 7.6515 120.5255 60.6476 32.8684 174.8716 80 Q 3.9497 8.7742 128.5640 55.9442 29.4929 174.5066 81 L 4.6386 8.3292 127.7653 53.1871 43.8030 175.4231 82 H 4.3501 8.8948 126.9019 56.7202 30.7467 174.2999 83 V 5.0759 8.2340 117.5388 60.1513 35.9641 174.6398 84 M 4.8303 9.0327 120.7425 53.8998 36.7505 173.9423 85 R 3.6395 7.8953 121.9973 54.4310 31.5684 175.7194 86 N 4.5277 8.5631 123.5014 51.8769 39.9027 175.8610 87 A 3.8486 8.5930 123.6245 55.7054 18.2728 178.5518 88 D 4.5271 7.8983 111.5973 53.5964 39.5646 177.2287 89 G 3.8559 8.2050 110.1347 45.2931 0.0000 174.0432 90 S 4.7230 8.1909 115.0303 57.7815 65.1056 172.9465 91 W 5.3727 9.4011 119.1617 54.9413 33.3098 174.7114 92 I 5.2102 8.7721 114.6766 59.5482 41.5079 173.5052 93 S 5.3633 8.3186 116.2428 56.0626 66.2370 175.2827 94 V 3.8714 8.7480 119.0450 64.2504 31.1193 177.4264 95 V 4.2513 7.8050 112.7051 61.2171 31.9858 176.7332 96 S 4.6734 7.8612 114.5210 57.4518 63.1028 173.9092 97 H 4.4150 7.8449 116.0200 56.8617 29.8444 175.8454 *99 D 4.4007 7.6943 118.2101 53.0530 41.2543 171.5918 100 P 4.6079 0.0000 0.0000 62.3515 32.3719 176.9805 101 V 4.5977 8.5243 114.3193 58.6498 35.2017 175.1488 102 P 4.5882 0.0000 0.0000 65.3749 31.7320 176.7122 103 T 4.5781 7.3575 108.0901 58.5053 73.0693 172.7648 104 P 3.6667 0.0000 0.0000 65.2059 31.1260 179.0140 105 R 2.8245 7.2415 117.0180 58.8381 29.7506 178.2464 106 A 3.8091 7.8593 120.5146 54.9521 18.3205 179.5002 107 A 3.8928 7.9930 119.1036 55.0880 18.3597 179.6930 108 A 3.9711 8.2144 119.6439 55.4592 18.4103 180.0846 109 R 3.3526 8.1804 116.7209 59.1740 29.9552 179.1932 110 A 3.9753 8.2977 120.6774 54.9421 18.2587 179.6353 111 A 3.9538 8.1078 119.5647 55.2425 18.1297 179.8822 112 V 3.6259 8.1332 117.0298 66.3921 31.3733 177.9195 113 D 4.5087 8.3668 117.7642 57.5139 40.7620 178.1830 114 E 4.1116 8.1397 118.7837 59.2134 29.9041 178.5481 115 L 4.1213 8.3794 118.8470 55.2601 41.8591 177.0243 116 Q 3.4156 8.8511 115.6115 56.7895 26.7804 174.8757 117 G 3.9343 8.4250 105.1512 45.0718 0.0000 174.2535 118 A 4.1167 7.6419 123.3667 51.1750 18.8666 175.8089 119 P 4.3645 0.0000 0.0000 62.3683 32.0639 176.2718 120 L 4.2186 8.3109 123.8829 54.8160 42.8388 175.9632 121 L 4.5633 8.1389 124.2641 52.6064 43.1060 175.0900 122 P 4.4403 0.0000 0.0000 63.1206 31.2247 176.2130 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 40 A 8.26 4.28 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 41 A 8.52 4.21 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 42 P 0.00 4.49 0.00 1.66 1.82 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.16 0.00 43 E 8.46 4.29 0.00 2.04 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 2.36 2.28 0.00 44 S 8.39 4.79 0.00 3.89 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 45 F 8.56 5.08 0.00 3.12 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 46 D 8.69 5.12 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.33 4.79 0.00 2.14 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 2.38 2.40 0.00 48 V 8.34 4.69 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 0.81 0.00 0.00 0.96 0.00 0.00 49 Y 9.25 4.63 0.00 3.20 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 50 K 9.23 3.55 0.00 1.53 1.60 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.89 0.21 7.81 51 G 8.20 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.66 0.00 1.99 1.97 0.00 3.15 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 53 R 9.12 4.83 0.00 1.92 1.84 0.00 3.05 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 54 I 8.97 5.16 2.16 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 1.41 0.93 1.05 0.00 0.00 55 Q 9.17 4.73 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 56 G 7.65 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 57 R 7.84 4.79 0.00 1.63 1.77 0.00 2.70 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.41 0.00 58 P 0.00 4.53 0.00 2.24 2.21 0.00 3.58 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 1.94 1.98 0.00 59 A 8.12 4.28 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 *71 G 7.65 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 0.00 0.00 0.00 0.00 72 Y 8.09 5.30 0.00 3.14 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 73 E 8.73 4.70 0.00 1.79 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 2.12 2.14 0.00 74 V 7.94 4.86 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 1.11 0.00 0.00 1.11 0.00 0.00 75 F 9.42 5.31 0.00 2.89 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 76 V 8.94 4.71 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 1.06 0.00 0.00 1.00 0.00 0.00 77 D 10.33 4.55 0.00 2.78 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 78 G 8.51 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 0.00 0.00 0.00 79 V 7.65 4.34 2.24 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 1.07 0.00 0.00 1.03 0.00 0.00 80 Q 8.77 3.95 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.08 1.73 0.00 81 L 8.33 4.64 0.00 1.61 1.61 0.95 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 82 H 8.89 4.35 0.00 3.32 3.20 0.00 5.86 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 83 V 8.23 5.08 2.34 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 0.89 0.00 0.00 1.10 0.00 0.00 84 M 9.03 4.83 0.00 1.80 1.79 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 85 R 7.90 3.64 0.00 0.67 1.13 0.00 2.98 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 86 N 8.56 4.53 0.00 2.70 2.59 0.00 0.00 6.57 7.68 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 87 A 8.59 3.85 1.23 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 0.00 0.00 88 D 7.90 4.53 0.00 2.76 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 89 G 8.21 3.86 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 0.00 0.00 0.00 90 S 8.19 4.72 0.00 4.05 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 91 W 9.40 5.37 0.00 3.28 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 92 I 8.77 5.21 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.94 0.00 0.00 93 S 8.32 5.36 0.00 4.04 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 94 V 8.75 3.87 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 0.76 0.00 0.00 0.95 0.00 0.00 95 V 7.81 4.25 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 0.76 0.00 0.00 0.97 0.00 0.00 96 S 7.86 4.67 0.00 3.95 3.86 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 97 H 7.84 4.41 0.00 3.17 3.30 0.00 5.76 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 D 7.69 4.40 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.61 0.00 2.21 2.02 0.00 3.76 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 1.98 1.97 0.00 101 V 8.52 4.60 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 0.74 0.00 0.00 0.99 0.00 0.00 102 P 0.00 4.59 0.00 2.17 2.19 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 103 T 7.36 4.58 3.96 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 1.13 0.00 0.00 104 P 0.00 3.67 0.00 1.79 0.93 0.00 2.97 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.44 0.00 105 R 7.24 2.82 0.00 0.67 1.29 0.00 2.89 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.77 0.00 106 A 7.86 3.81 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 0.00 107 A 7.99 3.89 1.39 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 0.00 0.00 0.00 108 A 8.21 3.97 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 3.35 0.00 1.56 1.09 0.00 2.74 0.00 0.00 2.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 110 A 8.30 3.98 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 A 8.11 3.95 1.41 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 0.00 112 V 8.13 3.63 2.56 0.00 0.00 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 1.12 0.00 0.00 113 D 8.37 4.51 0.00 2.95 2.79 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 0.00 114 E 8.14 4.11 0.00 2.17 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 0.00 2.35 2.70 0.00 115 L 8.38 4.12 0.00 1.78 1.87 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.85 3.42 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 117 G 8.42 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 0.00 118 A 7.64 4.12 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 0.00 119 P 0.00 4.36 0.00 2.07 2.02 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 120 L 8.31 4.22 0.00 1.62 1.60 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.14 4.56 0.00 1.66 1.58 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.44 0.00 2.05 2.01 0.00 3.72 0.00 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.