NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6231 8.1476 118.3365 55.0102 33.8912 173.4283 2 V 4.2365 8.1335 118.5584 60.8389 32.8819 174.1053 3 K 5.0513 10.1850 125.4232 54.5638 36.6725 175.9895 4 I 4.9728 7.9452 121.8431 59.7824 39.6286 175.2431 5 R 5.1421 8.8727 122.3978 55.8994 33.4507 173.7917 6 L 4.6738 8.5766 119.8154 54.4319 42.4806 176.8696 7 A 4.7059 8.7181 126.8294 49.9923 19.9484 175.7879 8 R 3.7211 8.6270 121.2479 58.1490 30.8248 176.2731 9 F 4.3273 7.6935 121.9474 57.6396 42.8662 172.1493 10 G 3.7117 9.2993 111.8803 45.9919 0.0000 173.7195 11 S 4.2779 8.3971 113.8476 57.6195 63.0265 173.8705 12 K 4.0083 8.4149 119.6944 57.9016 32.4715 177.5885 13 H 4.1757 8.8536 118.9142 56.6577 27.3519 174.3314 14 N 5.1274 7.6943 115.9738 51.3093 38.7934 172.6168 15 P 4.2450 0.0000 0.0000 64.3042 31.8254 177.3295 16 H 4.9490 8.1202 116.3804 54.3269 29.1934 172.5578 17 Y 4.3970 7.9026 115.8391 58.4200 39.1298 178.8871 18 R 4.5742 8.0646 120.2320 55.9437 29.5896 173.8087 19 I 3.8177 7.0366 120.0220 58.3497 37.7667 175.5263 20 V 4.6251 9.1644 126.6419 60.6146 35.6254 173.4063 21 V 5.3255 8.2966 113.7767 58.9645 34.3512 175.4640 22 T 4.6776 7.9475 114.1339 60.2557 73.0937 171.7000 23 D 4.7210 8.9911 120.9904 54.8306 41.6125 177.5317 24 A 3.9117 9.1197 130.5840 55.3977 18.8682 178.9082 25 R 4.0437 8.3977 114.2501 58.9116 30.2927 177.6610 26 R 4.0992 8.0897 116.8669 55.8453 30.6058 176.2917 27 K 4.2743 8.2905 118.3007 55.9552 33.7058 176.4374 28 R 3.3039 8.3584 114.2864 61.4795 30.4267 177.3450 29 D 4.7527 8.4557 119.4895 54.2328 40.2142 175.3151 30 G 4.1804 7.4713 109.7008 44.2658 0.0000 171.1210 31 K 4.0772 8.5395 122.4407 55.4300 32.8025 176.6783 32 Y 4.7603 7.4973 124.1072 55.5559 40.0923 175.6919 33 I 4.0678 8.8942 120.8893 63.6656 38.2862 176.7251 34 E 5.0279 7.6772 119.1148 55.3818 32.5644 175.6133 35 K 4.1626 8.9405 128.5271 56.0282 33.4878 176.5224 36 I 4.5634 8.1886 116.9570 60.3666 40.3109 175.0483 37 G 4.6287 7.4276 109.4540 46.6516 0.0000 170.2116 38 Y 4.6952 7.2349 116.0600 58.3811 41.0182 173.5824 39 Y 6.3000 8.4307 128.8408 58.3705 42.2936 172.2947 40 D 4.7901 8.4558 128.8210 52.0664 41.7186 175.1451 41 P 4.9916 0.0000 0.0000 64.7313 31.2730 177.2886 42 R 4.0423 8.3504 116.1035 57.0383 30.8918 176.8623 43 K 4.2125 8.1553 117.3451 57.8124 29.4572 174.1797 44 T 4.2291 8.5400 114.0752 64.0467 70.4545 176.9529 45 T 4.1892 7.7395 119.2917 61.9184 69.0639 173.6013 46 P 4.4789 0.0000 0.0000 64.9234 31.5177 176.7561 47 D 4.9876 8.1278 118.4841 52.9431 42.1333 174.9832 48 W 4.5003 8.9587 119.8154 58.1645 29.1468 176.4527 49 L 4.5984 6.9528 118.7767 52.1090 45.2073 175.5490 50 K 4.3308 6.8291 125.7401 56.2307 35.1800 173.4821 51 V 4.9359 8.0834 126.6973 60.2508 35.0930 175.0297 52 D 4.7885 8.0205 119.4137 51.0598 41.0273 175.9082 53 V 3.4810 7.9282 117.4844 64.2117 31.7441 177.1209 54 E 3.9342 8.2057 116.0021 59.9572 29.1949 179.4996 55 R 4.0513 8.3997 117.4944 59.1094 30.4617 178.7014 56 A 4.1179 8.1969 120.1185 55.5052 18.0295 179.1378 57 R 4.1684 8.0674 114.5909 57.8988 30.5875 177.7995 58 Y 4.1633 9.0365 121.0039 60.0499 38.7971 177.2592 59 W 4.4231 8.1553 119.0665 59.3318 28.7165 177.8528 60 L 4.1370 7.6656 117.7403 56.5035 41.1342 178.6592 61 S 4.2997 8.2373 113.3776 59.7355 63.2613 175.2058 62 V 3.9867 6.8128 114.0039 60.4194 31.8685 172.8707 63 G 3.9215 9.2379 114.0394 46.0627 0.0000 174.5702 64 A 5.0128 8.6060 127.0868 56.0436 19.6233 177.1096 65 Q 3.6014 7.5079 120.5816 56.1565 26.1646 175.7238 66 P 4.7991 0.0000 0.0000 61.5844 32.8901 176.3231 67 T 3.9719 8.3586 116.8394 64.2861 69.5010 174.7343 68 D 4.3988 8.9179 124.3224 58.0243 40.7494 178.9593 69 T 4.2425 7.7651 105.7862 62.7199 69.5931 175.2385 70 A 4.3478 7.5882 124.0282 54.2480 18.8727 179.0576 71 R 3.9126 8.4950 117.7288 60.1620 30.2119 178.8023 72 R 4.2287 7.7145 118.1464 59.3264 29.7729 177.1013 73 L 4.1557 7.6026 116.3173 54.7079 41.5679 177.9086 74 L 4.4969 9.2286 120.8564 55.4515 44.3318 179.0482 75 R 4.2079 8.3273 118.5835 59.6353 30.1725 178.0492 76 Q 4.0215 7.9037 116.2100 57.7879 29.1864 175.9303 77 A 4.2390 7.3390 120.1502 51.1706 18.8358 176.7319 78 G 3.8592 7.7358 107.2795 47.4750 0.0000 173.5914 79 V 4.1590 8.0310 121.5432 61.8635 33.6583 176.3788 80 F 4.6210 8.0739 116.4490 60.2223 39.9124 175.8412 81 R 3.6790 7.0455 117.6156 55.1569 30.2039 175.2146 82 Q 4.4404 8.4460 121.8834 54.5767 29.9374 174.0284 83 E 3.6275 7.6475 117.2095 57.2250 28.4314 174.0261 *84 A 4.1104 7.8861 128.0518 52.7489 18.9361 176.6654 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 1 M 8.15 4.62 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 2 V 8.13 4.24 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 0.84 0.00 0.00 0.85 0.00 0.00 3 K 10.18 5.05 0.00 1.64 1.72 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.38 7.81 4 I 7.95 4.97 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.88 0.00 0.00 5 R 8.87 5.14 0.00 1.84 2.01 0.00 3.07 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 6 L 8.58 4.67 0.00 1.68 2.07 0.96 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.72 4.71 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 3.72 0.00 1.48 1.70 0.00 3.05 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.00 9 F 7.69 4.33 0.00 3.16 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 10 G 9.30 3.71 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 0.00 0.00 0.00 11 S 8.40 4.28 0.00 3.95 3.95 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 0.00 0.00 0.00 12 K 8.41 4.01 0.00 1.72 1.55 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.36 7.81 13 H 8.85 4.18 0.00 3.35 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.69 5.13 0.00 2.68 2.72 0.00 0.00 7.11 7.46 0.00 0.00 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 P 0.00 4.24 0.00 2.23 1.98 0.00 3.79 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 2.14 2.18 0.00 16 H 8.12 4.95 0.00 3.19 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.90 4.40 0.00 2.93 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 18 R 8.06 4.57 0.00 1.05 1.53 0.00 2.89 0.00 0.00 2.91 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.17 0.00 19 I 7.04 3.82 1.72 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.85 0.00 0.00 20 V 9.16 4.63 1.74 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 0.74 0.00 0.00 -0.03 0.00 0.00 21 V 8.30 5.33 1.40 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 0.32 0.00 0.00 0.28 0.00 0.00 22 T 7.95 4.68 4.25 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 1.34 0.00 0.00 23 D 8.99 4.72 0.00 2.76 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 24 A 9.12 3.91 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 25 R 8.40 4.04 0.00 1.88 2.01 0.00 3.19 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 26 R 8.09 4.10 0.00 1.77 1.91 0.00 3.13 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 27 K 8.29 4.27 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.35 7.81 28 R 8.36 3.30 0.00 1.82 1.84 0.00 3.35 0.00 0.00 3.29 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 29 D 8.46 4.75 0.00 2.61 2.43 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 0.00 30 G 7.47 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.54 4.08 0.00 1.64 1.68 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.28 7.81 32 Y 7.50 4.76 0.00 2.88 2.95 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 0.00 0.00 0.00 33 I 8.89 4.07 1.61 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.88 0.00 0.00 34 E 7.68 5.03 0.00 2.17 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 35 K 8.94 4.16 0.00 1.53 1.63 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.18 7.81 36 I 8.19 4.56 1.86 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 1.06 0.41 0.98 0.00 0.00 37 G 7.43 4.63 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 0.00 0.00 0.00 38 Y 7.23 4.70 0.00 2.94 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 39 Y 8.43 6.30 0.00 2.95 2.95 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 0.00 0.00 0.00 40 D 8.46 4.79 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.99 0.00 2.23 2.01 0.00 3.37 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 42 R 8.35 4.04 0.00 2.10 2.02 0.00 3.28 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 43 K 8.16 4.21 0.00 1.23 1.05 0.00 1.46 0.00 0.00 1.31 0.00 0.00 2.63 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.30 1.36 7.81 44 T 8.54 4.23 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 1.28 0.00 0.00 45 T 7.74 4.19 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 1.35 0.00 0.00 46 P 0.00 4.48 0.00 2.24 2.25 0.00 3.80 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 2.06 2.06 0.00 47 D 8.13 4.99 0.00 2.82 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 48 W 8.96 4.50 0.00 4.02 3.40 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 0.00 49 L 6.95 4.60 0.00 0.27 0.52 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 50 K 6.83 4.33 0.00 1.42 0.74 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 1.07 7.81 51 V 8.08 4.94 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 1.12 0.00 0.00 0.75 0.00 0.00 52 D 8.02 4.79 0.00 2.68 2.48 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 53 V 7.93 3.48 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 0.67 0.00 0.00 0.88 0.00 0.00 54 E 8.21 3.93 0.00 2.08 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 2.30 2.35 0.00 55 R 8.40 4.05 0.00 2.06 2.30 0.00 3.31 0.00 0.00 3.68 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 56 A 8.20 4.12 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 57 R 8.07 4.17 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 58 Y 9.04 4.16 0.00 2.64 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 59 W 8.16 4.42 0.00 3.51 3.27 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 60 L 7.67 4.14 0.00 1.89 1.75 1.01 0.80 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 61 S 8.24 4.30 0.00 3.87 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 62 V 6.81 3.99 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 0.14 0.00 0.00 0.74 0.00 0.00 63 G 9.24 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 64 A 8.61 5.01 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 Q 7.51 3.60 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 66 P 0.00 4.80 0.00 2.22 2.08 0.00 3.85 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 2.04 2.08 0.00 67 T 8.36 3.97 4.33 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 1.23 0.00 0.00 68 D 8.92 4.40 0.00 2.69 2.73 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 69 T 7.77 4.24 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 70 A 7.59 4.35 1.34 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 0.00 0.00 0.00 71 R 8.50 3.91 0.00 2.03 2.17 0.00 3.11 0.00 0.00 2.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 72 R 7.71 4.23 0.00 1.96 1.97 0.00 3.15 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 73 L 7.60 4.16 0.00 1.73 1.32 1.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 74 L 9.23 4.50 0.00 1.68 1.28 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.33 4.21 0.00 2.17 2.17 0.00 3.19 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 76 Q 7.90 4.02 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 77 A 7.34 4.24 1.16 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 78 G 7.74 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 79 V 8.03 4.16 1.68 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 0.11 0.00 0.00 0.70 0.00 0.00 80 F 8.07 4.62 0.00 3.07 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 81 R 7.05 3.68 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 82 Q 8.45 4.44 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.97 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 83 E 7.65 3.63 0.00 2.15 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 2.21 2.23 0.00 *84 A 7.89 4.11 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 * Residues marked with a * may have inaccurate shift predictions.