NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1321 7.9127 117.9083 61.0099 34.5576 176.4938 3 N 4.9408 8.2389 122.0977 52.2996 38.8201 175.8054 4 R 4.9418 8.3317 127.6697 56.7113 32.3965 178.2807 5 I 3.7854 7.1851 119.5549 64.0729 37.1101 178.2022 6 E 3.9402 8.0130 119.7044 59.1566 29.4347 178.7284 7 L 3.9641 7.8647 118.5756 58.0088 41.8815 179.3047 8 S 4.1118 8.0961 112.9638 61.2841 62.2262 176.2750 9 R 3.9117 7.8021 121.0391 59.2950 29.8993 178.4672 10 L 4.0057 8.2947 119.2542 57.9096 41.5821 179.5403 11 I 3.8281 8.2750 120.3379 64.2688 36.7639 178.6469 12 G 3.6761 7.6677 105.3094 47.8644 0.0000 175.4479 13 L 4.1568 7.7340 120.9225 57.2108 41.4669 179.3499 14 L 3.9656 7.8571 120.2486 58.2188 42.0053 178.7006 15 L 4.3280 8.2285 118.5190 56.7264 41.7201 178.7853 16 E 4.3203 7.7602 117.0045 57.8891 30.3421 181.4637 17 T 4.7564 7.0354 108.0773 60.4518 72.2643 172.3042 *28 S 4.3671 8.9451 118.5312 57.4008 63.5196 173.1873 29 G 3.1470 11.0542 110.5581 44.9177 0.0000 172.7199 30 T 3.2325 7.7735 119.8053 60.3308 65.8452 177.9323 31 N 3.8521 8.9916 122.0643 56.2224 37.8869 178.1150 32 K 4.4494 8.8296 121.7387 60.0487 33.2744 179.8842 33 I 3.8937 7.7249 121.1948 64.2349 37.2167 178.2102 34 E 4.0698 8.0661 118.9160 59.7317 29.2950 179.3387 35 D 4.4447 8.7826 121.6503 57.7688 40.7962 179.5440 36 K 3.9057 7.9630 124.0728 59.8043 31.5891 182.0136 37 V 3.7747 7.4276 118.2894 66.0986 31.4545 178.2561 38 T 3.8493 7.9900 115.4878 66.7163 68.2857 176.5407 39 L 3.9700 8.6495 121.3217 57.8390 41.5331 179.5445 40 S 4.0899 8.1094 113.0754 61.3345 62.3141 176.4097 41 K 3.9754 8.2336 121.3586 59.4512 31.8955 179.3685 42 I 3.6864 8.0204 120.0130 64.3509 37.0658 178.3390 43 A 4.0186 8.1875 121.6099 55.2719 17.9718 179.6885 44 Q 3.9819 8.0950 115.9307 59.1906 28.8278 178.6364 45 E 4.1234 8.0208 118.8142 59.3356 29.5866 179.0950 46 L 4.2632 7.8351 117.9367 56.2558 41.7256 177.7452 47 S 5.0605 7.5885 114.5336 57.5213 63.4489 176.7796 48 K 4.1013 8.3298 122.8313 58.7286 31.9424 181.2868 49 N 4.8205 7.7180 116.0898 52.5653 38.5729 176.0177 50 D 4.6038 7.9757 121.6306 54.6815 41.6868 178.6281 51 V 4.4891 7.9080 126.7825 66.0088 32.8182 175.4809 52 E 3.6808 7.6337 121.0132 59.6857 31.0316 180.5849 53 E 4.1161 8.0535 124.2027 56.4681 28.8614 179.6652 54 K 4.3072 8.5073 128.8590 56.2895 32.6623 176.5207 55 D 5.0379 7.6058 116.3866 51.9219 41.8369 179.8081 56 L 4.0279 8.4311 125.5310 60.0411 42.1194 178.9297 57 E 4.0710 8.2799 119.9435 61.6928 29.6382 181.7008 58 K 4.2210 7.9317 124.2575 59.4488 31.9154 180.8745 59 K 4.0711 8.6047 121.5447 59.2774 32.0403 179.0445 60 V 3.5772 7.9878 120.7985 66.4867 31.5277 178.7327 61 K 3.9880 7.9890 125.4470 60.5934 31.7294 181.2472 62 E 4.2632 8.7647 120.2771 60.8947 29.5582 181.2137 63 L 4.2160 8.2425 122.3217 58.1753 41.7558 180.3871 64 K 3.9893 8.5525 126.5139 60.4803 31.6601 181.4384 65 E 4.2889 8.7949 122.7669 61.4728 29.6117 181.7897 66 K 4.3738 7.9561 123.6071 59.4152 31.6306 181.8357 67 I 4.2305 7.6818 119.3314 64.4098 36.8456 178.1971 68 E 4.1086 8.2539 121.3455 59.5362 29.4930 179.2411 69 K 4.3355 7.9762 121.0672 56.6302 31.8116 179.9922 70 G 4.1233 7.4940 106.1106 47.5111 0.0000 174.9765 71 E 4.6356 8.5179 117.7449 54.3867 28.8681 176.5811 72 Y 4.4951 7.5970 120.9843 56.9691 41.8400 173.9724 73 E 4.2045 8.1391 123.9206 54.5233 30.8611 171.9984 74 V 4.2104 8.2362 124.3558 60.3688 32.3430 175.3033 75 S 4.8536 8.0655 121.8985 56.2628 67.2103 174.5623 76 D 4.4564 8.6608 124.9044 57.7655 40.6181 179.5708 77 E 3.9842 8.0874 118.6943 61.1398 29.7930 182.9030 78 K 4.1535 7.8760 119.6047 59.3527 32.1208 179.6953 79 V 3.6354 7.6204 118.4862 65.8316 31.3332 178.3415 80 V 3.6768 8.1217 120.5750 66.5579 31.4177 178.7807 81 K 4.1077 8.6743 124.0362 59.6349 31.4661 180.9810 82 G 3.8466 8.5007 107.2369 47.8209 0.0000 175.8395 83 L 4.2640 8.1416 122.2694 57.4128 41.6580 179.8062 84 I 3.8392 8.1285 119.9014 64.4755 36.8557 178.1507 85 E 3.9590 8.2344 119.0331 59.1057 29.4873 178.4315 86 F 4.1552 8.0837 120.0273 61.2778 39.5782 176.9141 87 F 4.3385 8.4719 116.5374 59.7315 38.9980 175.7772 88 T 4.2034 8.1111 112.5144 61.6957 68.8851 174.3371 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 V 7.91 4.13 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 0.72 0.00 0.00 0.93 0.00 0.00 3 N 8.24 4.94 0.00 2.75 2.83 0.00 0.00 6.70 6.77 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 4 R 8.33 4.94 0.00 1.80 1.89 0.00 3.30 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 0.00 5 I 7.19 3.79 1.96 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 1.52 0.72 0.91 0.00 0.00 6 E 8.01 3.94 0.00 2.09 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 0.00 2.30 2.39 0.00 7 L 7.86 3.96 0.00 1.86 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.10 4.11 0.00 3.96 4.01 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 9 R 7.80 3.91 0.00 2.07 2.05 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 10 L 8.29 4.01 0.00 1.85 1.70 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.28 3.83 1.87 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 1.45 0.77 0.91 0.00 0.00 12 G 7.67 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.73 4.16 0.00 1.84 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.86 3.97 0.00 1.99 1.77 0.92 0.67 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 15 L 8.23 4.33 0.00 1.70 1.70 0.98 0.79 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 16 E 7.76 4.32 0.00 2.10 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 2.23 2.18 0.00 17 T 7.04 4.76 4.24 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 1.21 0.00 0.00 *28 S 8.95 4.37 0.00 4.02 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 11.05 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.77 3.23 4.24 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 1.21 0.00 0.00 31 N 8.99 3.85 0.00 2.64 2.64 0.00 0.00 6.88 7.51 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 32 K 8.83 4.45 0.00 1.77 1.82 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.16 7.81 33 I 7.72 3.89 1.87 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 1.64 0.91 0.91 0.00 0.00 34 E 8.07 4.07 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 35 D 8.78 4.44 0.00 2.63 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 36 K 7.96 3.91 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 37 V 7.43 3.77 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 1.04 0.00 0.00 0.93 0.00 0.00 38 T 7.99 3.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 39 L 8.65 3.97 0.00 1.86 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.11 4.09 0.00 3.99 4.01 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 41 K 8.23 3.98 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.68 7.81 42 I 8.02 3.69 2.02 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 1.45 1.35 0.91 0.00 0.00 43 A 8.19 4.02 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 44 Q 8.10 3.98 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 45 E 8.02 4.12 0.00 2.12 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 0.00 2.54 2.49 0.00 46 L 7.84 4.26 0.00 1.78 1.72 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.59 5.06 0.00 4.07 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 48 K 8.33 4.10 0.00 1.80 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.03 7.81 49 N 7.72 4.82 0.00 2.70 2.84 0.00 0.00 6.92 8.06 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 50 D 7.98 4.60 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.91 4.49 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 0.75 0.00 0.00 0.93 0.00 0.00 52 E 7.63 3.68 0.00 2.01 1.86 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 2.22 1.93 0.00 53 E 8.05 4.12 0.00 1.98 1.83 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 2.23 1.87 0.00 54 K 8.51 4.31 0.00 1.77 1.71 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 0.99 7.81 55 D 7.61 5.04 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 4.03 0.00 1.66 1.69 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.28 4.07 0.00 2.01 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 2.32 1.95 0.00 58 K 7.93 4.22 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.06 7.81 59 K 8.60 4.07 0.00 1.87 2.01 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 60 V 7.99 3.58 2.23 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 0.86 0.00 0.00 0.95 0.00 0.00 61 K 7.99 3.99 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 62 E 8.76 4.26 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 63 L 8.24 4.22 0.00 2.00 1.59 1.00 0.58 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 64 K 8.55 3.99 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 65 E 8.79 4.29 0.00 1.92 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 2.24 2.20 0.00 66 K 7.96 4.37 0.00 1.80 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 67 I 7.68 4.23 1.90 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 0.87 0.00 0.00 68 E 8.25 4.11 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 69 K 7.98 4.34 0.00 1.88 1.71 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.32 7.81 70 G 7.49 4.12 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 0.00 0.00 0.00 71 E 8.52 4.64 0.00 2.03 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 0.00 2.26 2.44 0.00 72 Y 7.60 4.50 0.00 2.85 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 73 E 8.14 4.20 0.00 2.02 1.72 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 2.18 1.85 0.00 74 V 8.24 4.21 2.10 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 1.04 0.00 0.00 1.09 0.00 0.00 75 S 8.07 4.85 0.00 4.01 3.85 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 76 D 8.66 4.46 0.00 2.79 2.76 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 0.00 0.00 0.00 77 E 8.09 3.98 0.00 1.97 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 2.31 1.97 0.00 78 K 7.88 4.15 0.00 1.95 1.89 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 79 V 7.62 3.64 2.10 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 1.02 0.00 0.00 1.03 0.00 0.00 80 V 8.12 3.68 2.33 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 1.03 0.00 0.00 0.96 0.00 0.00 81 K 8.67 4.11 0.00 1.75 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.33 7.81 82 G 8.50 3.85 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 0.00 0.00 0.00 83 L 8.14 4.26 0.00 1.85 2.01 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.13 3.84 2.02 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 1.47 0.77 0.96 0.00 0.00 85 E 8.23 3.96 0.00 2.30 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 2.35 2.34 0.00 86 F 8.08 4.16 0.00 2.99 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 87 F 8.47 4.34 0.00 3.21 3.07 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 88 T 8.11 4.20 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 * Residues marked with a * may have inaccurate shift predictions.