NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.2502 8.4293 116.7535 55.4077 31.6742 176.0512 10 E 5.0262 7.4945 113.9425 55.7814 31.8960 171.9334 11 E 4.4300 8.4110 129.6127 56.6777 32.8946 175.7753 12 E 4.7417 8.1858 120.3076 56.6922 32.2320 176.8867 13 L 4.1648 8.6894 128.5984 54.5750 41.2840 175.4428 14 V 4.2291 7.9443 125.3650 60.7628 33.5551 175.0471 15 D 4.5834 8.4579 126.3179 52.4763 40.6482 174.7152 16 P 4.1562 0.0000 0.0000 65.9142 30.7676 177.9057 17 L 3.9217 7.9217 120.4741 58.3274 41.8421 178.9198 18 T 3.8896 7.9311 108.6558 65.1070 68.8958 176.1198 19 T 4.3028 7.7945 119.3678 66.0628 68.7631 176.5003 20 I 3.9080 7.8713 121.0306 63.9636 37.0707 178.6672 21 R 4.0599 7.9323 119.4085 58.7209 29.5903 178.7212 22 E 4.0901 8.1220 118.6667 59.7716 29.6818 178.7076 23 H 4.2208 8.2236 117.6593 59.6875 29.9794 177.8416 24 C 4.2500 8.1465 117.9250 59.7446 39.8308 175.2962 25 E 4.1383 8.1550 117.7735 57.7806 29.0879 177.1188 26 Q 4.4129 7.5489 119.0720 56.3790 30.2049 176.3747 27 T 4.0130 7.9570 115.2562 63.8818 70.4305 173.9445 28 E 3.9118 8.8397 123.9378 60.0095 29.5602 179.6988 29 K 4.0095 7.9777 117.4257 59.6719 32.0522 179.1039 30 C 4.3682 8.0478 116.5477 62.7580 28.1779 176.1696 31 V 3.7804 7.9645 119.8013 66.0684 30.7933 178.2277 32 K 4.1301 8.2155 117.1420 58.3151 31.8038 178.6819 33 A 4.2047 7.7182 120.6976 54.1207 19.6618 179.1665 34 R 3.4711 9.0080 118.3523 59.1302 30.0796 178.5213 35 E 3.8282 8.2264 119.2720 59.4326 29.6667 179.0190 36 R 3.9526 7.4858 117.7615 58.9605 30.0195 178.9801 37 L 3.8799 7.8595 120.2371 58.2659 42.1972 178.6698 38 E 3.9130 8.0277 118.5258 59.4693 29.3691 179.5492 39 L 3.9492 7.7519 118.3672 57.8123 41.6976 178.6409 40 C 4.1726 7.9315 118.0188 59.7955 44.8514 174.7012 41 D 4.2823 8.1402 119.4025 57.5916 40.6694 178.5088 42 A 3.9712 7.8180 120.5611 55.2310 18.3624 179.8504 43 R 4.1230 7.6963 115.5278 58.7123 29.4657 179.1826 44 V 3.5579 8.0532 118.6623 65.6422 31.5698 177.9769 45 S 4.2725 8.0051 114.3828 61.5373 62.9043 176.5213 46 S 4.2335 8.0416 116.7987 60.6332 62.9252 174.8926 47 R 4.1178 7.7112 121.7248 55.9051 30.2024 176.8047 48 S 4.8338 8.1422 116.4971 58.0404 63.5106 173.8270 49 H 4.6141 7.6964 116.0175 56.4883 30.3512 172.9490 50 T 4.5733 8.0239 111.8306 60.0039 69.3382 173.4893 51 E 4.1920 8.5891 126.4336 57.3045 30.1970 176.7152 52 E 4.0928 7.3576 118.9567 56.6648 30.1791 175.7527 53 Q 4.6235 8.1029 120.7289 54.1219 33.1040 175.7233 54 C 5.4507 8.2189 116.6851 56.6851 40.1290 176.9816 55 T 3.4291 7.7912 117.8331 66.3645 68.1593 175.1925 56 E 3.7877 7.8497 120.4361 59.7202 29.8045 179.0092 57 E 4.2001 8.0058 118.9500 58.7087 29.5393 178.7680 58 L 4.0617 7.8645 120.3018 58.3457 41.6579 178.9997 59 F 4.5686 8.4443 117.8010 60.9944 38.5245 177.0423 60 D 4.6609 8.3627 118.4290 57.8922 40.5842 178.8788 61 F 4.3690 8.4808 120.6582 61.2665 39.3743 176.8051 62 L 3.6287 8.5692 118.7171 58.1324 41.5950 179.0625 63 H 3.9651 9.4347 118.3041 59.2773 29.7728 177.1522 64 A 3.9312 7.9794 122.2710 55.7538 18.2263 178.8349 65 R 3.5820 8.4346 118.1757 59.7778 29.8878 177.9023 66 D 4.3046 8.6009 118.4587 57.8066 40.8362 178.7882 67 H 4.0101 7.8791 117.5746 59.3988 30.2494 175.8944 68 C 4.3262 8.0731 120.1084 59.8913 44.5615 175.5531 69 V 3.5597 8.0252 119.5473 66.2947 30.6438 177.8850 70 A 4.0859 8.1385 119.7893 55.0398 17.9190 178.7106 71 H 4.1724 8.1135 115.9955 58.2020 30.2034 175.8185 72 K 4.6367 7.8332 116.7159 55.9277 34.9309 177.8632 73 L 3.9596 8.3886 121.8500 58.6792 41.9759 178.8643 74 F 4.1968 8.4376 115.8930 59.6452 38.7022 177.2037 75 N 4.5497 8.4357 116.7463 55.9244 38.4808 176.2505 76 K 4.1428 7.6086 116.3851 57.4406 32.5975 176.9311 77 L 4.3689 6.9506 117.9126 53.3779 43.1346 176.6218 78 K 4.1240 8.2019 119.4997 56.7174 32.3124 175.4239 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 *9 E 8.43 4.25 0.00 1.73 1.79 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 2.13 2.37 0.00 10 E 7.49 5.03 0.00 2.00 1.97 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 2.05 2.39 0.00 11 E 8.41 4.43 0.00 1.89 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 2.20 2.33 0.00 12 E 8.19 4.74 0.00 1.88 1.79 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 2.03 2.10 0.00 13 L 8.69 4.16 0.00 1.62 1.60 0.91 0.91 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 14 V 7.94 4.23 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 0.85 0.00 0.00 0.93 0.00 0.00 15 D 8.46 4.58 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.27 2.32 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 17 L 7.92 3.92 0.00 1.71 1.97 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.93 3.89 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 19 T 7.79 4.30 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 1.23 0.00 0.00 20 I 7.87 3.91 1.90 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 1.55 1.47 0.97 0.00 0.00 21 R 7.93 4.06 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 22 E 8.12 4.09 0.00 2.26 2.03 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 2.36 2.65 0.00 23 H 8.22 4.22 0.00 3.25 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.15 4.25 0.00 3.12 3.06 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 25 E 8.15 4.14 0.00 2.22 2.17 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 2.68 2.64 0.00 26 Q 7.55 4.41 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 27 T 7.96 4.01 4.34 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 0.00 0.00 0.00 1.23 0.00 0.00 28 E 8.84 3.91 0.00 2.07 1.97 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 2.39 2.50 0.00 29 K 7.98 4.01 0.00 1.84 1.85 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.52 7.81 30 C 8.05 4.37 0.00 3.08 3.28 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 31 V 7.96 3.78 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 1.04 0.00 0.00 1.03 0.00 0.00 32 K 8.22 4.13 0.00 1.86 1.86 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.65 7.81 33 A 7.72 4.20 1.56 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 0.00 0.00 34 R 9.01 3.47 0.00 1.41 2.14 0.00 3.08 0.00 0.00 2.68 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 35 E 8.23 3.83 0.00 2.22 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 0.00 2.29 2.33 0.00 36 R 7.49 3.95 0.00 1.86 1.97 0.00 3.19 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 37 L 7.86 3.88 0.00 1.73 1.71 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.03 3.91 0.00 2.11 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 2.57 2.43 0.00 39 L 7.75 3.95 0.00 1.87 1.69 0.91 0.71 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 40 C 7.93 4.17 0.00 2.94 3.19 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 41 D 8.14 4.28 0.00 2.79 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 42 A 7.82 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.12 0.00 2.05 2.18 0.00 3.04 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 44 V 8.05 3.56 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 0.90 0.00 0.00 0.96 0.00 0.00 45 S 8.01 4.27 0.00 4.06 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 46 S 8.04 4.23 0.00 4.06 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 47 R 7.71 4.12 0.00 1.90 1.92 0.00 3.12 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 48 S 8.14 4.83 0.00 3.95 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 49 H 7.70 4.61 0.00 3.00 3.26 0.00 5.88 0.00 0.00 0.00 0.00 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.02 4.57 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 51 E 8.59 4.19 0.00 1.97 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 2.23 2.20 0.00 52 E 7.36 4.09 0.00 1.94 1.84 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 2.30 2.27 0.00 53 Q 8.10 4.62 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.32 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 54 C 8.22 5.45 0.00 2.89 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 55 T 7.79 3.43 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 0.27 0.00 0.00 56 E 7.85 3.79 0.00 1.99 1.92 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 2.39 2.47 0.00 57 E 8.01 4.20 0.00 2.07 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 2.39 2.29 0.00 58 L 7.86 4.06 0.00 1.85 1.83 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.44 4.57 0.00 3.25 3.02 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 60 D 8.36 4.66 0.00 2.99 2.83 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 61 F 8.48 4.37 0.00 3.14 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 62 L 8.57 3.63 0.00 1.94 1.84 1.12 0.97 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 63 H 9.43 3.97 0.00 3.31 3.45 0.00 5.58 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 64 A 7.98 3.93 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 65 R 8.43 3.58 0.00 0.82 1.46 0.00 3.10 0.00 0.00 2.79 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 66 D 8.60 4.30 0.00 2.79 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 67 H 7.88 4.01 0.00 3.32 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.07 4.33 0.00 3.03 3.41 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 69 V 8.03 3.56 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 0.98 0.00 0.00 0.95 0.00 0.00 70 A 8.14 4.09 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 0.00 0.00 71 H 8.11 4.17 0.00 3.40 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.83 4.64 0.00 2.11 2.01 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.42 7.81 73 L 8.39 3.96 0.00 1.93 1.97 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.44 4.20 0.00 2.99 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 75 N 8.44 4.55 0.00 2.79 2.91 0.00 0.00 6.99 7.44 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 76 K 7.61 4.14 0.00 1.90 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 77 L 6.95 4.37 0.00 1.43 1.39 0.37 0.63 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 78 K 8.20 4.12 0.00 1.64 1.60 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.