NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3848 8.1749 111.0786 61.7382 70.7537 172.3251 3 I 4.3112 8.4294 123.0553 58.7638 39.3129 173.2186 4 Q 5.1741 9.5090 128.9028 54.3235 31.8538 174.0046 5 L 4.9945 8.9214 124.8309 53.2312 46.5906 175.2662 6 T 4.9283 8.3638 116.4837 62.0686 71.7173 173.5887 7 V 4.5137 8.7640 126.4594 60.0169 31.5835 173.9888 8 P 4.3318 0.0000 0.0000 64.6266 31.6851 177.2552 9 T 4.4038 7.7375 106.8344 61.3910 68.9083 174.7845 10 I 3.8712 7.5705 123.6140 61.6829 36.2262 175.6178 11 A 4.3523 8.3432 129.0471 53.4768 19.7375 176.3574 12 C 4.6422 7.3825 109.5693 56.5207 33.1527 174.1036 13 E 3.9098 8.5841 120.0517 59.4295 29.0050 178.2929 14 A 4.0452 8.0044 120.3455 55.3355 18.3544 179.2809 15 C 4.1245 8.0414 114.6316 62.6996 28.2577 175.8176 16 A 3.9340 7.9382 122.4691 55.2138 17.9620 179.3493 17 E 3.8377 8.6124 117.9828 59.2497 29.6303 178.9282 18 A 3.9770 8.0430 120.9214 55.1598 18.5070 179.7774 19 V 3.5321 7.9766 116.9371 66.3070 31.4746 178.2499 20 T 3.8581 8.0969 115.6284 66.8346 68.3436 176.7683 21 K 3.9663 8.2655 119.9888 59.2031 30.7644 179.3028 22 A 3.9898 8.3921 121.6715 55.0846 18.2782 179.8904 23 V 3.6101 7.8646 116.6748 66.3680 31.1679 178.4029 24 Q 4.2472 8.4037 117.6657 58.6014 28.2877 177.9779 25 N 4.5322 8.2338 116.3225 55.0278 38.6266 176.0811 26 E 4.6831 7.3522 116.5087 56.3384 31.1138 175.1836 27 D 4.5325 8.2325 117.9146 51.8938 42.2525 175.3285 28 A 4.2109 8.4287 129.1899 54.2646 18.6252 178.4233 29 Q 4.1743 7.8769 112.8703 57.0559 29.2412 176.3496 30 A 4.5686 7.8016 120.7213 52.1250 19.2031 177.0609 31 T 4.7408 8.8137 110.1559 59.9096 72.3616 173.1463 32 V 4.9287 8.2561 121.9600 61.3808 34.9575 173.9845 33 Q 4.7118 9.1606 128.2192 54.2378 32.2663 174.0307 34 V 4.8555 8.3209 124.6108 61.1592 34.7960 173.6841 35 D 4.8524 8.7853 127.5926 52.8415 42.2381 176.9803 36 L 4.2767 8.7951 125.3940 56.5273 42.3823 177.6686 37 T 4.3593 8.0654 114.6014 65.1662 69.6040 176.1982 38 S 4.1749 8.6131 114.5969 59.0225 63.5150 174.9950 39 K 3.9648 8.1785 119.4946 56.9608 30.0332 174.8450 40 K 4.6247 7.7221 119.3654 56.0331 33.5231 176.1235 41 V 4.7040 9.0717 125.2615 61.6048 33.8615 174.1987 42 T 4.9620 9.1383 126.0017 61.9563 70.6779 173.7376 43 I 4.9067 8.9789 127.6429 59.7122 40.8748 174.6490 44 T 4.7449 8.8655 124.0670 62.2353 70.1806 173.4672 45 S 4.9417 8.3288 119.3692 57.1324 64.9681 174.3606 46 A 4.1350 8.9619 127.0040 54.4726 18.4446 178.5905 47 L 4.3913 7.8011 115.7076 54.2236 42.6514 177.6425 48 G 3.9327 8.8403 108.5201 43.8691 0.0000 174.7417 49 E 4.0169 8.7267 122.9008 59.8878 29.5304 179.4302 50 E 4.0013 8.1066 117.8944 61.1090 29.8924 180.9002 51 Q 4.1952 8.0726 118.6048 58.9515 28.8227 179.0212 52 L 4.0062 8.1196 119.8996 57.7244 41.6914 179.6045 53 R 3.9400 8.2862 118.3751 59.6958 29.9700 179.2303 54 T 3.8647 8.1587 115.2445 66.5189 68.5258 176.5452 55 A 3.9824 8.1217 122.6354 55.3227 18.3037 179.8311 56 I 3.7003 7.9241 118.0770 64.4067 37.1502 178.5829 57 A 4.4093 8.0195 123.0004 54.8715 18.0180 179.9175 58 S 4.1258 8.2114 112.4105 61.1065 62.9568 175.8901 59 A 4.3068 7.5475 121.0758 52.6170 18.3293 177.9928 60 G 3.9299 8.2923 106.0510 45.1409 0.0000 173.2301 61 H 4.9541 7.8404 116.5165 53.3928 31.7033 173.6103 62 E 4.2540 8.6213 121.9531 56.2596 30.0917 176.3869 63 V 4.5196 7.9002 120.2839 60.7861 33.8649 175.4547 64 E 4.1558 8.9308 125.8266 56.8242 29.1739 176.7098 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 T 8.17 4.38 4.38 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 1.21 0.00 0.00 3 I 8.43 4.31 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 1.11 0.72 0.96 0.00 0.00 4 Q 9.51 5.17 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 5 L 8.92 4.99 0.00 1.58 1.49 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.36 4.93 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 1.25 0.00 0.00 7 V 8.76 4.51 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 1.05 0.00 0.00 0.92 0.00 0.00 8 P 0.00 4.33 0.00 2.09 2.11 0.00 3.73 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 2.03 2.08 0.00 9 T 7.74 4.40 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 1.23 0.00 0.00 10 I 7.57 3.87 1.84 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 1.05 0.52 0.90 0.00 0.00 11 A 8.34 4.35 1.29 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 0.00 0.00 0.00 12 C 7.38 4.64 0.00 3.10 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 13 E 8.58 3.91 0.00 2.09 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 2.38 2.44 0.00 14 A 8.00 4.05 1.33 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 0.00 0.00 0.00 15 C 8.04 4.12 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.94 3.93 1.33 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 0.00 0.00 0.00 17 E 8.61 3.84 0.00 2.11 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 0.00 2.31 2.37 0.00 18 A 8.04 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.53 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 1.00 0.00 0.00 0.84 0.00 0.00 20 T 8.10 3.86 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 21 K 8.27 3.97 0.00 1.93 1.86 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 22 A 8.39 3.99 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 23 V 7.86 3.61 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 1.02 0.00 0.00 0.96 0.00 0.00 24 Q 8.40 4.25 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 25 N 8.23 4.53 0.00 2.85 2.87 0.00 0.00 6.92 7.22 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 26 E 7.35 4.68 0.00 2.06 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 2.27 2.43 0.00 27 D 8.23 4.53 0.00 2.69 2.49 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 28 A 8.43 4.21 1.29 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 0.00 0.00 0.00 29 Q 7.88 4.17 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 30 A 7.80 4.57 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 31 T 8.81 4.74 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 32 V 8.26 4.93 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 0.79 0.00 0.00 0.93 0.00 0.00 33 Q 9.16 4.71 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 34 V 8.32 4.86 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 0.82 0.00 0.00 0.91 0.00 0.00 35 D 8.79 4.85 0.00 2.84 2.51 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 0.00 0.00 0.00 0.00 36 L 8.80 4.28 0.00 1.67 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.07 4.36 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 38 S 8.61 4.17 0.00 3.95 3.99 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 0.00 0.00 0.00 39 K 8.18 3.96 0.00 2.00 2.05 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 40 K 7.72 4.62 0.00 1.67 1.72 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.38 7.81 41 V 9.07 4.70 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 1.04 0.00 0.00 0.91 0.00 0.00 42 T 9.14 4.96 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 43 I 8.98 4.91 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 1.22 0.76 0.91 0.00 0.00 44 T 8.87 4.74 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 45 S 8.33 4.94 0.00 3.83 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.96 4.13 1.29 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 0.00 0.00 0.00 47 L 7.80 4.39 0.00 1.65 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.73 4.02 0.00 2.04 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 2.38 2.38 0.00 50 E 8.11 4.00 0.00 2.01 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 2.31 1.97 0.00 51 Q 8.07 4.20 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 52 L 8.12 4.01 0.00 1.84 1.71 0.92 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 53 R 8.29 3.94 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 54 T 8.16 3.86 4.42 0.00 0.00 0.00 0.00 0.00 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 55 A 8.12 3.98 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 56 I 7.92 3.70 1.88 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 1.46 0.78 0.96 0.00 0.00 57 A 8.02 4.41 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 58 S 8.21 4.13 0.00 3.85 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 59 A 7.55 4.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 7.84 4.95 0.00 3.12 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.62 4.25 0.00 2.23 1.89 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 2.31 1.86 0.00 63 V 7.90 4.52 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 0.90 0.00 0.00 0.94 0.00 0.00 64 E 8.93 4.16 0.00 2.34 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 2.34 2.13 0.00