NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.3915 8.4345 115.4088 56.7350 65.3512 174.2618 7 E 4.6032 7.7422 116.6389 51.2766 34.2818 175.4225 8 P 4.2493 0.0000 0.0000 64.4626 32.6183 175.9373 9 I 4.4007 8.0056 123.2078 59.4928 39.3791 174.9463 10 D 4.5644 8.3006 123.6349 53.0171 41.3291 175.8190 11 P 4.3414 0.0000 0.0000 64.7386 31.4269 177.0420 12 S 4.4296 8.0089 115.3586 60.2472 63.4437 175.2170 13 K 4.2949 7.7606 116.7861 56.3826 32.7026 175.6718 14 L 4.2086 7.7055 122.0633 54.6308 42.1170 175.1393 15 E 4.7280 7.8329 125.3500 54.4391 33.6818 175.0143 16 F 5.2824 8.6571 119.7537 55.8260 42.1643 174.5122 17 A 5.4410 9.4424 123.9044 50.1338 23.1590 174.8088 18 R 5.1036 8.7266 115.0903 54.1479 32.8801 175.0018 19 A 4.4959 8.8556 124.4070 51.8874 18.7557 178.3790 20 L 3.9193 8.9911 124.4317 57.5817 42.2399 177.3660 21 Y 4.9413 7.7056 113.3707 55.8786 42.1293 175.2366 22 D 4.7443 9.0216 121.3965 54.7823 41.9852 175.6760 23 F 4.8453 9.2567 123.7551 56.4737 42.8796 173.3159 24 V 4.3555 7.2924 125.3782 60.1889 32.8512 173.3624 25 P 4.3823 0.0000 0.0000 62.6039 32.0456 175.7793 26 E 4.1759 8.8451 119.6079 58.2950 30.3963 177.6210 *29 E 4.2829 8.1431 116.7504 56.2559 31.5602 181.8887 30 M 4.6949 8.1999 117.2023 55.9011 33.1938 179.9308 31 E 4.9172 7.7528 111.9362 55.7000 33.8119 179.5350 32 V 4.6788 8.0214 114.0969 63.1189 33.6351 175.9332 33 A 4.8780 8.5851 127.1347 51.0675 20.2280 176.4834 34 L 5.0590 9.2719 120.5663 53.0614 46.8105 175.8616 35 K 4.9721 8.6023 118.1999 54.7276 36.4503 175.8390 36 K 4.1930 10.7101 125.3405 57.8868 32.5296 174.8225 37 G 4.1443 9.3207 114.4330 45.6507 0.0000 173.8702 38 D 4.5741 8.3525 119.1986 54.8901 41.9222 176.2250 39 L 5.3233 8.2370 120.9234 53.9835 44.3123 175.3476 40 M 4.8767 8.6770 116.1689 54.7931 35.2336 172.9924 41 A 4.8265 8.3985 121.5320 50.3194 20.4638 176.2356 42 I 3.9533 8.7994 124.6972 60.6285 37.4186 176.7987 43 L 4.2314 8.5511 128.7311 57.3259 42.4454 178.0776 44 S 4.3898 7.6005 111.6350 56.4189 65.8681 174.8263 45 K 4.0256 8.1088 126.4424 55.9876 32.3175 175.6162 46 K 4.8245 7.7975 119.6887 55.4157 35.7986 174.2593 47 D 5.1826 7.7858 118.4365 51.3587 41.7790 174.6983 48 P 4.4813 0.0000 0.0000 64.9316 31.3451 177.7541 49 L 4.3700 7.9836 118.0088 56.7508 42.0284 182.5163 50 G 4.0353 7.6450 106.8284 45.7783 0.0000 174.3644 51 R 4.5735 8.6842 121.4697 54.3605 31.3659 180.7131 52 D 4.6725 8.8118 120.2801 55.2006 40.0013 177.6728 53 S 5.0598 8.2049 120.7888 56.3377 66.5402 170.9599 54 D 4.8917 9.0910 117.9380 57.5009 41.9584 176.8805 55 W 5.0038 8.5332 117.4516 55.6851 30.4619 176.0833 56 W 5.4959 9.4824 123.0564 54.9454 32.9171 174.1856 57 K 4.2326 8.9632 124.5085 55.3609 33.3763 175.9482 58 V 4.9092 8.6186 119.3885 59.8197 37.3762 173.9665 59 R 5.0159 8.4749 120.7518 54.8436 32.6898 175.3800 60 T 4.5074 9.5230 124.8771 62.9718 69.1686 175.7056 61 K 4.0857 8.5289 121.6785 59.7074 32.6854 177.5183 62 N 4.6217 8.2213 115.3083 53.0101 38.5075 175.7521 63 G 3.9643 8.1785 106.5381 45.3150 0.0000 173.6730 64 N 4.6896 7.8502 117.6320 53.0073 39.7773 174.1338 65 I 5.4805 8.5440 122.8701 57.9697 40.7530 175.1330 66 G 4.1549 7.9192 112.2258 46.7077 0.0000 170.6306 67 Y 5.8939 8.3619 117.1338 56.7472 40.0172 175.1358 68 I 4.4171 8.3474 113.9027 58.4668 41.6499 172.5866 69 P 3.4268 0.0000 0.0000 62.1035 31.5549 177.2677 70 Y 3.4250 8.3357 122.3398 59.2429 37.6555 177.4335 71 N 4.3440 6.8334 115.5136 53.4232 37.8405 174.9713 72 Y 4.2412 7.8597 117.3403 58.6085 38.5812 174.4263 73 I 5.0930 7.1205 112.4032 58.9939 41.4316 174.5997 74 E 4.6675 8.8215 122.2787 54.6015 32.8761 174.2455 75 I 4.3615 8.6580 128.4785 61.6456 37.5929 176.1786 76 I 3.9095 9.1109 128.8593 61.7450 38.0371 176.3269 77 K 4.1515 8.6141 124.7986 57.0971 33.0184 175.1957 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 6 S 8.43 4.39 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.74 4.60 0.00 2.04 1.71 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 2.11 1.96 0.00 8 P 0.00 4.25 0.00 2.01 2.04 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 9 I 8.01 4.40 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.82 0.00 0.00 10 D 8.30 4.56 0.00 2.66 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 11 P 0.00 4.34 0.00 2.16 2.18 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 S 8.01 4.43 0.00 3.86 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 13 K 7.76 4.29 0.00 1.72 1.79 0.00 1.46 0.00 0.00 1.56 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.30 7.81 14 L 7.71 4.21 0.00 1.51 1.54 0.70 0.54 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 15 E 7.83 4.73 0.00 1.90 1.73 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 2.13 2.10 0.00 16 F 8.66 5.28 0.00 3.08 2.97 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 17 A 9.44 5.44 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 18 R 8.73 5.10 0.00 1.88 2.04 0.00 2.75 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 19 A 8.86 4.50 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 20 L 8.99 3.92 0.00 1.38 0.87 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.71 4.94 0.00 2.76 2.81 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 22 D 9.02 4.74 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.26 4.85 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.29 4.36 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 0.75 0.00 0.00 0.81 0.00 0.00 25 P 0.00 4.38 0.00 2.06 2.07 0.00 3.63 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 2.05 2.27 0.00 26 E 8.85 4.18 0.00 2.10 2.32 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 2.51 2.33 0.00 *29 E 8.14 4.28 0.00 2.04 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 2.13 1.88 0.00 30 M 8.20 4.69 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.06 0.00 31 E 7.75 4.92 0.00 1.91 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 2.11 1.84 0.00 32 V 8.02 4.68 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 0.98 0.00 0.00 1.02 0.00 0.00 33 A 8.59 4.88 1.28 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 0.00 0.00 34 L 9.27 5.06 0.00 1.75 1.64 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.60 4.97 0.00 1.89 1.68 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 36 K 10.71 4.19 0.00 1.83 1.77 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 37 G 9.32 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.35 4.57 0.00 2.69 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 39 L 8.24 5.32 0.00 1.55 1.65 0.88 0.89 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 40 M 8.68 4.88 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 41 A 8.40 4.83 1.07 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 0.00 0.00 42 I 8.80 3.95 1.70 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.61 0.00 0.00 43 L 8.55 4.23 0.00 1.58 1.62 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.60 4.39 0.00 3.78 3.56 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 45 K 8.11 4.03 0.00 1.30 1.18 0.00 1.15 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.45 7.81 46 K 7.80 4.82 0.00 1.70 1.76 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.33 7.81 47 D 7.79 5.18 0.00 2.56 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.48 0.00 2.02 2.16 0.00 3.48 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.11 0.00 49 L 7.98 4.37 0.00 1.66 1.55 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.65 4.04 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 0.00 0.00 0.00 51 R 8.68 4.57 0.00 1.74 1.80 0.00 3.30 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 52 D 8.81 4.67 0.00 2.68 2.53 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 53 S 8.20 5.06 0.00 3.36 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 54 D 9.09 4.89 0.00 2.85 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 55 W 8.53 5.00 0.00 3.24 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.48 5.50 0.00 3.26 2.94 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 0.00 0.00 0.00 57 K 8.96 4.23 0.00 1.06 1.39 0.00 1.43 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.07 0.63 7.81 58 V 8.62 4.91 2.18 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 0.72 0.00 0.00 0.95 0.00 0.00 59 R 8.47 5.02 0.00 1.86 1.74 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 60 T 9.52 4.51 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 1.27 0.00 0.00 61 K 8.53 4.09 0.00 1.89 1.98 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.49 7.81 62 N 8.22 4.62 0.00 2.76 2.90 0.00 0.00 7.03 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.18 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.85 4.69 0.00 2.70 2.78 0.00 0.00 6.85 7.32 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 65 I 8.54 5.48 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.19 0.91 0.00 0.00 66 G 7.92 4.15 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 67 Y 8.36 5.89 0.00 3.12 3.38 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 68 I 8.35 4.42 1.29 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.82 0.00 0.00 69 P 0.00 3.43 0.00 1.95 1.27 0.00 2.20 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.44 0.00 70 Y 8.34 3.42 0.00 1.43 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 71 N 6.83 4.34 0.00 2.45 2.18 0.00 0.00 6.02 7.55 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 72 Y 7.86 4.24 0.00 3.02 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 73 I 7.12 5.09 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.94 0.00 0.00 74 E 8.82 4.67 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 75 I 8.66 4.36 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 1.05 0.00 0.00 76 I 9.11 3.91 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.95 0.00 0.00 77 K 8.61 4.15 0.00 1.91 1.81 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.