NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1438 0.0000 0.0000 64.2236 32.4614 177.0656 3 K 3.6631 8.6579 114.1272 56.8475 28.4668 171.9667 4 M 4.0573 9.0425 123.5408 55.6329 33.5259 176.3641 5 K 4.4172 8.3562 122.0856 55.4521 33.5407 176.9167 6 T 4.0950 8.1784 112.6057 61.7322 69.7565 175.2006 7 H 4.4874 8.7758 124.1380 55.1183 28.9552 176.0663 8 K 3.9348 8.4493 125.4975 59.2170 31.8899 178.0282 9 G 3.9953 7.8233 105.1196 48.1664 0.0000 174.5739 10 A 4.1997 8.4586 123.1747 54.7403 17.9265 179.4231 11 K 3.9229 8.0137 117.9431 59.6113 32.0731 178.9275 12 K 3.9252 8.6844 117.8941 57.9616 32.0097 177.6240 13 R 4.6407 7.7132 113.1746 55.2416 30.4569 175.1889 14 V 4.6235 7.4809 117.6064 61.4334 35.0667 173.8692 15 K 4.5574 8.9707 128.6525 54.6497 34.4778 174.3181 16 I 4.7767 8.2924 128.2552 58.7568 38.6347 176.5937 17 T 4.3371 8.5691 120.0528 61.4946 67.9837 174.0006 18 A 4.5275 8.5367 117.3485 53.7209 20.7794 178.4731 19 S 4.2080 7.9158 106.3226 59.5855 62.7946 174.7118 20 G 3.8911 8.3455 109.0149 45.7439 0.0000 173.2857 21 K 4.5487 7.8540 118.2377 54.5826 34.5833 175.8164 22 V 4.4982 8.2695 124.0399 61.7563 33.2999 174.6021 23 V 5.5976 8.9426 126.9874 60.2126 34.9819 174.1130 24 A 5.0416 8.3030 127.3036 50.6656 23.4532 175.2229 25 M 4.5338 8.3866 117.3285 55.1184 32.0417 175.3340 26 K 4.5066 8.3647 118.9575 55.1899 34.0629 176.0671 27 T 4.1261 8.2151 114.5889 62.3942 69.7210 173.2177 28 G 3.9180 8.7763 115.5032 46.3167 0.0000 175.2103 29 K 4.3361 8.0322 118.7566 57.9133 32.6386 175.2845 30 R 3.7501 7.8137 119.0644 57.0636 28.7240 174.6740 31 H 3.9253 9.3601 122.5191 60.3372 26.2689 178.4503 32 L 3.1561 9.9143 118.9004 51.9129 44.0283 177.1186 33 N 4.3259 8.5183 127.5204 54.2833 39.4392 174.4240 34 W 4.5730 8.3302 126.1522 57.8083 32.0065 176.7343 35 Q 3.5656 7.7425 114.0566 55.6638 25.3675 173.1313 36 K 4.0978 8.3702 120.0156 57.4840 30.7806 176.1570 37 S 3.8117 6.3740 117.0057 56.4513 68.0752 174.0299 38 G 3.8329 9.9956 120.1366 45.5821 0.0000 173.5208 39 K 3.9505 7.9661 118.7719 56.6934 31.3829 175.8972 40 E 4.1996 8.3432 119.7848 59.5062 29.9662 178.4599 41 I 3.8406 8.3189 110.6915 64.2616 37.5202 176.4074 42 R 3.9921 8.2596 119.7244 59.5209 30.3073 177.6915 43 Q 4.4553 7.8915 115.9182 56.0585 26.8358 179.0457 44 K 4.6498 7.4684 116.2736 54.4440 34.3533 178.2127 45 G 4.1307 7.7687 115.3296 45.6025 0.0000 172.5193 46 R 4.9722 8.4296 125.6313 54.3187 33.2449 173.7147 47 K 4.8656 8.7792 118.0267 55.9440 36.4434 174.7420 48 F 5.0242 8.6937 116.7435 56.0285 39.0806 176.0770 49 V 3.9113 8.2760 125.2155 60.9227 30.4528 175.4155 50 L 4.0665 8.3377 128.6416 54.9010 42.8618 177.0656 51 A 4.1357 8.5174 119.7351 53.0781 17.9476 178.7438 52 K 4.2570 10.1005 112.7522 57.0711 31.8425 177.2052 53 P 4.3126 0.0000 0.0000 65.2517 31.7643 177.6341 54 E 4.0436 8.3328 116.8087 59.4041 28.7560 179.1343 55 A 3.9549 7.8387 120.5907 54.7790 18.9436 178.4146 56 E 3.8455 8.0920 117.7897 59.8707 29.5904 179.0521 57 R 3.8969 9.1267 118.1520 59.6700 30.1505 178.9214 58 I 3.8843 7.1673 116.5274 63.2793 37.4626 177.3747 59 K 4.4025 8.2039 118.8923 56.3712 32.4153 177.0221 60 L 4.7216 8.1987 120.8684 53.7202 42.6167 178.6558 61 L 3.9405 8.3581 120.6291 57.9863 41.8490 178.9610 62 L 4.4622 7.9308 116.6931 56.4880 42.2186 176.2556 63 P 4.1905 0.0000 0.0000 64.1168 30.9685 176.4569 64 Y 3.1962 7.7937 119.6096 58.2163 37.6881 170.7467 *65 E 4.1515 8.4922 114.3070 56.4738 30.5285 172.9442 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 2 P 0.00 4.14 0.00 2.20 2.14 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 3 K 8.66 3.66 0.00 1.93 2.05 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.53 7.81 4 M 9.04 4.06 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 5 K 8.36 4.42 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 6 T 8.18 4.10 4.28 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 1.27 0.00 0.00 7 H 8.78 4.49 0.00 3.24 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.45 3.93 0.00 1.73 1.80 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.48 7.81 9 G 7.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.20 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 11 K 8.01 3.92 0.00 1.89 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 12 K 8.68 3.93 0.00 1.85 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.59 7.81 13 R 7.71 4.64 0.00 1.88 1.96 0.00 3.03 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 14 V 7.48 4.62 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 0.79 0.00 0.00 0.93 0.00 0.00 15 K 8.97 4.56 0.00 1.87 1.64 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.36 7.81 16 I 8.29 4.78 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.91 0.00 0.00 17 T 8.57 4.34 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 1.22 0.00 0.00 18 A 8.54 4.53 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 19 S 7.92 4.21 0.00 3.97 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 20 G 8.35 3.89 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 0.00 0.00 0.00 0.00 21 K 7.85 4.55 0.00 1.77 1.76 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 22 V 8.27 4.50 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 0.95 0.00 0.00 0.93 0.00 0.00 23 V 8.94 5.60 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 1.12 0.00 0.00 1.00 0.00 0.00 24 A 8.30 5.04 1.22 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 25 M 8.39 4.53 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 26 K 8.36 4.51 0.00 1.74 1.66 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.30 7.81 27 T 8.22 4.13 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 1.18 0.00 0.00 28 G 8.78 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 29 K 8.03 4.34 0.00 1.86 1.87 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.61 7.81 30 R 7.81 3.75 0.00 1.81 1.85 0.00 3.37 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 31 H 9.36 3.93 0.00 3.28 3.30 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.91 3.16 0.00 1.72 1.98 1.17 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.52 4.33 0.00 2.97 3.03 0.00 0.00 6.79 7.95 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 34 W 8.33 4.57 0.00 3.20 3.34 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 35 Q 7.74 3.57 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 36 K 8.37 4.10 0.00 1.59 1.64 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.33 7.81 37 S 6.37 3.81 0.00 4.01 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 38 G 10.00 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 0.00 0.00 0.00 39 K 7.97 3.95 0.00 1.93 1.95 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 40 E 8.34 4.20 0.00 2.10 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 2.23 2.17 0.00 41 I 8.32 3.84 2.00 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 1.44 0.79 1.20 0.00 0.00 42 R 8.26 3.99 0.00 1.83 2.25 0.00 3.27 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 43 Q 7.89 4.46 0.00 2.38 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 44 K 7.47 4.65 0.00 1.86 1.71 0.00 1.62 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.35 1.46 7.81 45 G 7.77 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 4.97 0.00 1.71 1.89 0.00 3.25 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 47 K 8.78 4.87 0.00 1.65 1.82 0.00 1.01 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 1.58 7.81 48 F 8.69 5.02 0.00 3.10 3.03 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 49 V 8.28 3.91 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 0.69 0.00 0.00 0.89 0.00 0.00 50 L 8.34 4.07 0.00 1.84 1.53 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.52 4.14 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 52 K 10.10 4.26 0.00 1.96 1.83 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.24 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 53 P 0.00 4.31 0.00 2.26 2.44 0.00 3.74 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 54 E 8.33 4.04 0.00 2.20 2.27 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 2.54 2.39 0.00 55 A 7.84 3.95 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 56 E 8.09 3.85 0.00 2.27 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 0.00 2.31 2.42 0.00 57 R 9.13 3.90 0.00 1.89 1.93 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 58 I 7.17 3.88 1.96 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 1.85 0.72 0.90 0.00 0.00 59 K 8.20 4.40 0.00 1.89 1.83 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.59 7.81 60 L 8.20 4.72 0.00 1.60 1.64 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.36 3.94 0.00 1.66 1.80 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.93 4.46 0.00 1.68 1.75 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.19 0.00 2.22 2.26 0.00 3.93 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 2.16 2.06 0.00 64 Y 7.79 3.20 0.00 3.04 3.05 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 *65 E 8.49 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.