NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.4812 8.3349 115.2903 58.3282 62.7674 172.8356 17 H 4.7792 8.4554 124.1809 53.0290 31.7359 173.1158 18 M 4.3128 9.0230 123.4554 57.6093 34.0342 176.0370 19 S 4.7360 7.1105 115.0709 56.6879 63.3343 171.3675 *26 P 4.1132 0.0000 0.0000 62.2379 31.9770 175.9528 27 L 4.2400 8.4743 125.3858 54.3538 42.9415 175.8244 28 R 4.6878 8.1799 123.8887 53.7341 33.1452 175.3392 29 V 3.6788 8.2185 121.1702 64.6055 31.8432 176.3120 30 G 4.0499 8.9528 115.2434 45.3056 0.0000 173.8648 31 S 4.3424 7.3436 115.7371 58.0825 63.4724 174.2778 32 R 4.1854 8.3410 123.4202 56.2288 30.5370 176.3866 33 V 4.5440 7.9943 114.0531 59.7675 35.9209 173.8364 34 E 4.5867 8.5951 121.5433 54.3260 31.3821 175.0620 35 V 4.2333 8.2888 125.4000 61.1161 33.0227 174.6411 36 I 4.2591 8.3089 128.5344 59.9890 38.1558 176.0110 37 G 3.9746 8.2811 117.8493 44.6155 0.0000 172.2087 38 K 3.9706 8.5274 121.7818 56.2209 32.7333 178.2855 39 G 3.9757 8.3015 114.9998 45.1601 0.0000 172.2113 40 H 4.9116 8.1758 114.9775 53.9381 32.5935 173.9835 41 R 4.4257 8.6165 122.4229 56.5716 31.7585 175.9154 42 G 4.4862 7.9705 106.6694 46.5281 0.0000 172.0701 43 T 4.7860 8.3898 116.0779 61.2454 71.9404 174.2401 44 V 3.9203 8.5902 126.4223 63.3062 31.4034 175.1223 45 A 4.5206 8.6883 130.0338 52.9121 20.9073 176.2472 46 Y 4.8374 7.3639 115.2196 56.3268 42.6819 174.0126 47 V 4.7036 8.5937 124.9648 60.1768 34.6429 175.8879 48 G 3.6433 8.0589 114.6059 44.9760 0.0000 171.9336 49 A 4.7757 8.1263 123.5266 52.4966 19.0648 176.7735 50 T 4.7215 7.7326 108.4228 60.0130 71.7169 174.1098 51 L 4.1872 8.9214 122.0521 56.6000 41.8707 178.4971 52 F 4.3763 6.7186 111.8718 57.8757 38.3709 175.0200 53 A 4.4016 6.5207 121.7371 51.5030 21.4063 175.6019 54 T 4.0867 8.5118 110.4203 62.2498 69.8345 175.8033 55 G 3.7221 8.2839 110.4502 44.7163 0.0000 171.9448 56 K 4.5357 8.1467 119.6942 54.8799 33.5785 176.9975 57 W 5.1256 9.1354 126.2167 54.8862 33.3491 174.5140 58 V 4.8424 9.6582 123.4833 61.2594 33.4666 174.5716 59 G 3.5897 9.3090 117.0385 45.0484 0.0000 172.1953 60 V 4.6248 8.6920 125.6520 60.9532 35.0211 174.5114 61 I 4.7423 8.4199 128.9298 60.0707 37.9034 175.3279 62 L 4.5774 8.8827 128.4060 54.4452 41.8131 177.6343 63 D 4.5111 9.0120 122.9381 57.0949 41.0334 177.1823 64 E 4.4895 7.8368 116.0288 54.7739 31.7159 176.1706 65 A 4.1516 8.0831 124.2226 52.1603 17.2298 178.0706 66 K 4.4455 7.6427 116.2233 55.7632 33.4513 177.2911 67 G 4.2236 8.2565 108.6333 45.1615 0.0000 173.3413 68 K 4.7528 8.7879 117.7187 56.6370 34.5458 175.7526 69 N 5.0599 7.9164 116.0680 51.1527 41.5615 174.1695 70 D 5.0003 8.6964 115.7446 53.2217 40.2795 178.3525 71 G 2.6247 9.0210 109.2287 46.7297 0.0000 173.7931 72 T 4.9148 7.5946 116.5772 61.5506 70.6934 173.5714 73 V 4.2632 8.7627 125.3057 62.6550 34.4395 175.7072 74 Q 3.2062 9.7020 127.3980 57.0468 26.0633 174.1594 75 G 3.9826 8.2381 106.1725 44.9171 0.0000 173.0945 76 R 4.2359 7.7765 120.2022 53.9656 31.5021 174.6870 77 K 4.3642 8.1026 125.9317 55.2559 32.8980 175.3617 78 Y 4.4346 8.6938 124.4187 58.9940 40.0617 175.1389 79 F 5.0193 7.2098 112.1257 56.2234 40.5548 172.1581 80 T 5.1085 8.3563 115.9897 62.4494 71.7657 173.2468 81 C 4.7335 8.1692 119.2216 57.5539 33.2431 173.0639 82 D 4.6489 8.4528 118.3980 53.6441 41.8364 176.3458 83 E 4.0225 8.7487 120.5382 58.5718 30.0132 178.0902 84 G 3.9772 9.0516 110.8184 45.8411 0.0000 174.3239 85 H 4.6047 8.2634 116.6380 56.7929 29.7568 175.3064 86 G 4.4589 8.3068 107.8140 45.7234 0.0000 172.9357 87 I 5.0912 8.8115 122.8842 59.2296 42.1071 173.3944 88 F 5.5269 8.9207 126.4000 56.1493 40.9640 175.2794 89 V 5.0480 9.4029 115.8809 59.8805 36.8115 175.0405 90 R 4.1586 8.4717 120.3899 55.4658 30.9977 177.7170 91 Q 3.9307 8.5781 121.2392 59.3815 29.2289 178.8725 92 S 4.0430 8.1609 112.8658 61.8217 62.8029 175.1650 93 Q 4.3547 8.0229 115.9088 55.9110 28.6547 175.3590 94 I 4.4275 7.5400 119.6778 59.2973 39.1890 174.8458 95 Q 4.3700 8.2109 124.6458 54.0573 31.4792 174.7393 96 V 3.8334 8.0294 124.6622 61.8654 32.7879 175.5755 97 F 4.5012 8.3645 122.9810 57.9199 38.8788 175.5757 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 16 S 8.33 4.48 0.00 3.85 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 17 H 8.46 4.78 0.00 3.30 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 9.02 4.31 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 19 S 7.11 4.74 0.00 4.04 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 P 0.00 4.11 0.00 2.24 2.10 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 27 L 8.47 4.24 0.00 1.61 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.18 4.69 0.00 1.87 1.77 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 29 V 8.22 3.68 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 0.78 0.00 0.00 0.93 0.00 0.00 30 G 8.95 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.34 4.34 0.00 3.98 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 32 R 8.34 4.19 0.00 1.80 1.86 0.00 3.32 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 33 V 7.99 4.54 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 0.70 0.00 0.00 0.93 0.00 0.00 34 E 8.60 4.59 0.00 1.88 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 2.19 2.32 0.00 35 V 8.29 4.23 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 0.89 0.00 0.00 0.94 0.00 0.00 36 I 8.31 4.26 1.87 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 1.35 0.97 0.91 0.00 0.00 37 G 8.28 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 38 K 8.53 3.97 0.00 1.69 1.69 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 39 G 8.30 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.18 4.91 0.00 3.09 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.62 4.43 0.00 2.00 2.00 0.00 3.15 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.76 0.00 42 G 7.97 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.39 4.79 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 44 V 8.59 3.92 2.04 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 0.69 0.00 0.00 0.89 0.00 0.00 45 A 8.69 4.52 0.57 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 0.00 0.00 46 Y 7.36 4.84 0.00 3.27 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 47 V 8.59 4.70 1.94 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 0.80 0.00 0.00 0.88 0.00 0.00 48 G 8.06 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 49 A 8.13 4.78 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 50 T 7.73 4.72 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 51 L 8.92 4.19 0.00 1.71 1.80 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 F 6.72 4.38 0.00 2.85 2.98 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 0.00 0.00 0.00 53 A 6.52 4.40 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.51 4.09 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 55 G 8.28 3.72 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 0.00 0.00 0.00 56 K 8.15 4.54 0.00 1.72 1.60 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.44 7.81 57 W 9.14 5.13 0.00 3.54 3.43 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 58 V 9.66 4.84 2.26 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 1.04 0.00 0.00 0.96 0.00 0.00 59 G 9.31 3.59 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 0.00 0.00 0.00 60 V 8.69 4.62 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 0.94 0.00 0.00 0.88 0.00 0.00 61 I 8.42 4.74 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.40 0.98 0.00 0.00 62 L 8.88 4.58 0.00 1.65 1.62 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.01 4.51 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.84 4.49 0.00 1.95 1.85 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 2.27 2.33 0.00 65 A 8.08 4.15 1.17 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 0.00 0.00 66 K 7.64 4.45 0.00 1.49 1.59 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.20 7.81 67 G 8.26 4.22 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 0.00 68 K 8.79 4.75 0.00 1.59 1.81 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.49 7.81 69 N 7.92 5.06 0.00 2.87 2.85 0.00 0.00 5.86 8.07 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 70 D 8.70 5.00 0.00 2.95 2.84 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 71 G 9.02 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.59 4.91 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 1.13 0.00 0.00 73 V 8.76 4.26 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 0.35 0.00 0.00 0.86 0.00 0.00 74 Q 9.70 3.21 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 75 G 8.24 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.78 4.24 0.00 1.69 1.18 0.00 2.99 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.26 0.00 77 K 8.10 4.36 0.00 1.63 1.56 0.00 1.58 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.31 7.81 78 Y 8.69 4.43 0.00 3.29 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 79 F 7.21 5.02 0.00 3.22 3.23 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 80 T 8.36 5.11 4.30 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 1.22 0.00 0.00 81 C 8.17 4.73 0.00 2.96 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 82 D 8.45 4.65 0.00 2.56 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 83 E 8.75 4.02 0.00 1.96 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 2.31 2.33 0.00 84 G 9.05 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.26 4.60 0.00 3.41 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.31 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.81 5.09 1.90 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 1.32 1.45 0.94 0.00 0.00 88 F 8.92 5.53 0.00 2.83 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 89 V 9.40 5.05 2.20 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 0.87 0.00 0.00 1.07 0.00 0.00 90 R 8.47 4.16 0.00 1.71 1.61 0.00 2.68 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.25 0.00 91 Q 8.58 3.93 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 92 S 8.16 4.04 0.00 3.84 3.91 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 93 Q 8.02 4.35 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 94 I 7.54 4.43 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 1.33 0.83 0.84 0.00 0.00 95 Q 8.21 4.37 0.00 1.84 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 96 V 8.03 3.83 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 0.86 0.00 0.00 0.87 0.00 0.00 97 F 8.36 4.50 0.00 3.13 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 * Residues marked with a * may have inaccurate shift predictions.