NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4384 8.0393 114.0016 61.7721 33.3294 174.0136 2 R 4.4432 8.6988 117.5284 54.8600 33.0428 172.0656 3 D 4.8133 8.6118 122.5359 53.1539 42.8415 176.7474 4 A 3.1575 6.6258 123.2323 51.0202 23.9817 174.1899 5 Y 4.8276 7.9426 116.4411 56.6822 38.9237 175.7513 6 I 4.2473 8.4727 125.2305 61.0951 38.8190 174.7246 7 A 5.2433 8.7054 129.6661 50.0013 22.1847 175.4461 8 K 4.6267 8.7155 118.7749 53.8037 35.3282 174.1611 9 P 4.4202 0.0000 0.0000 62.8627 31.7607 176.0603 10 E 4.2761 8.3617 121.9256 55.2269 31.0863 175.4354 11 N 4.1366 8.5580 124.7403 55.0145 36.9230 174.4416 12 C 4.9206 7.9859 115.1768 55.1056 43.4806 175.5925 13 V 4.2832 8.0195 117.6609 61.0432 32.6553 174.6627 14 Y 4.3727 8.2878 118.1386 56.5634 39.1802 175.3626 15 H 4.8803 8.8505 125.2736 56.5379 30.7346 173.0789 16 C 4.9360 8.1808 117.7917 53.8470 45.0257 173.5729 17 A 4.8736 8.2425 119.4257 51.5296 18.9112 176.0057 18 G 4.4370 7.5558 104.4834 44.7860 0.0000 175.0612 19 N 4.7751 8.9830 119.8466 55.9114 38.5755 177.2726 20 E 4.0501 8.4561 120.5772 59.5386 29.5725 179.0702 21 G 3.6301 8.1272 104.9366 48.0911 0.0000 176.1970 22 C 4.2487 7.7468 116.5858 59.5144 40.6695 175.5938 23 N 4.3816 8.4446 118.9963 56.6367 38.5321 176.8792 24 K 3.8809 8.3012 121.2512 59.2895 32.4528 178.4105 25 L 3.7775 8.0012 120.7847 58.3105 41.9723 178.3552 26 C 4.2387 8.5215 116.8276 60.3224 40.6181 176.3604 27 T 4.1574 7.9840 112.7311 64.3136 68.0964 176.0823 28 D 4.5038 8.1914 120.6732 55.9627 40.7383 176.6643 29 N 4.8059 7.5009 115.2531 52.8212 38.9341 175.8391 30 G 3.8395 8.1227 107.7242 45.0774 0.0000 174.4702 31 A 4.6358 7.6832 122.2961 51.0528 19.1611 178.0852 32 E 3.9910 8.6530 120.8099 58.9564 30.0627 176.0530 33 S 4.6771 7.4987 111.3479 58.4318 66.0475 174.2778 34 G 4.3909 8.9171 105.9593 46.2405 0.0000 171.9751 35 Y 5.0727 8.1442 117.3658 55.9405 41.9803 172.6768 36 C 4.8762 9.5270 121.4917 56.0231 45.8610 172.4139 37 Q 4.8349 9.2663 128.6997 54.4751 30.0046 174.5762 38 W 4.4634 9.3682 127.1741 56.7346 30.3223 176.4107 39 G 4.0016 10.0106 112.2481 46.5908 0.0000 174.1550 40 G 3.9721 7.5931 109.2749 43.9264 0.0000 175.1163 41 R 3.8211 8.2668 118.1174 58.3916 30.0347 176.8881 42 Y 4.7444 7.2766 114.7149 57.6237 39.6056 177.0596 43 G 3.7609 7.8403 107.9690 45.0771 0.0000 172.8544 44 N 5.0394 8.5767 119.0092 52.2102 39.9510 174.4135 45 A 5.1348 8.7560 124.8375 50.2920 23.7608 174.1429 46 C 4.9237 9.0058 117.3628 56.7761 42.3192 172.7709 47 W 4.5790 9.2677 134.7713 55.6719 32.6815 173.7949 48 C 5.1446 8.1376 124.6047 55.1162 44.0623 172.6983 49 I 4.4902 8.5147 123.7683 59.8795 38.8477 176.2841 50 K 3.8593 9.2490 126.8141 57.2650 30.0600 175.4398 51 L 4.1204 7.8168 120.6982 53.8708 43.2230 174.4203 52 P 4.5973 0.0000 0.0000 62.5925 31.8875 177.2733 53 D 4.3588 8.5822 120.5364 57.0033 40.8638 177.1275 54 D 4.6319 7.9653 116.3911 52.9755 39.8699 175.7762 55 V 4.2138 7.3688 120.5117 60.5640 32.9707 173.7753 56 P 4.5811 0.0000 0.0000 62.9107 32.4095 175.1286 57 I 5.0296 7.9824 114.7675 58.7234 41.1010 174.6851 58 R 4.1547 8.9588 124.4038 56.3322 30.2871 176.0766 59 V 4.6298 8.5882 118.7976 58.2920 35.3426 173.6515 60 P 4.4129 0.0000 0.0000 63.4961 31.7705 176.6943 61 G 3.7284 8.1415 107.4102 44.3976 0.0000 172.7279 62 K 4.4730 8.2337 119.8965 54.9366 34.3275 175.8715 63 C 5.0829 8.6200 119.4986 54.8322 44.8081 172.9871 64 H 4.4471 8.7823 121.8009 55.9738 28.1906 173.0063 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 1 V 8.04 4.44 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 0.86 0.00 0.00 0.91 0.00 0.00 2 R 8.70 4.44 0.00 1.72 1.91 0.00 2.98 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.73 0.00 3 D 8.61 4.81 0.00 2.63 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 4 A 6.63 3.16 0.97 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 5 Y 7.94 4.83 0.00 3.05 2.99 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 6 I 8.47 4.25 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.82 0.00 0.00 7 A 8.71 5.24 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.72 4.63 0.00 1.82 1.89 0.00 1.02 0.00 0.00 0.77 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.11 1.14 7.81 9 P 0.00 4.42 0.00 2.02 2.00 0.00 3.59 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 2.01 2.09 0.00 10 E 8.36 4.28 0.00 1.69 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 2.23 2.19 0.00 11 N 8.56 4.14 0.00 2.85 2.86 0.00 0.00 6.90 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 12 C 7.99 4.92 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 4.28 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 0.47 0.00 0.00 0.87 0.00 0.00 14 Y 8.29 4.37 0.00 2.97 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 15 H 8.85 4.88 0.00 3.15 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.18 4.94 0.00 2.81 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 0.00 17 A 8.24 4.87 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 18 G 7.56 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.98 4.78 0.00 2.89 3.03 0.00 0.00 6.62 7.66 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 20 E 8.46 4.05 0.00 2.04 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 2.41 2.37 0.00 21 G 8.13 3.63 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 0.00 0.00 0.00 22 C 7.75 4.25 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.38 0.00 3.06 2.97 0.00 0.00 6.84 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 24 K 8.30 3.88 0.00 1.88 1.76 0.00 1.56 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 25 L 8.00 3.78 0.00 1.60 1.66 0.38 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.52 4.24 0.00 2.89 2.99 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 27 T 7.98 4.16 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 1.29 0.00 0.00 28 D 8.19 4.50 0.00 2.82 2.73 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 0.00 0.00 0.00 29 N 7.50 4.81 0.00 2.70 2.72 0.00 0.00 7.21 7.53 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 30 G 8.12 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 0.00 0.00 0.00 31 A 7.68 4.64 1.27 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 0.00 0.00 0.00 32 E 8.65 3.99 0.00 1.93 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 0.00 2.32 2.25 0.00 33 S 7.50 4.68 0.00 4.02 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 34 G 8.92 4.39 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 0.00 35 Y 8.14 5.07 0.00 3.36 3.14 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 36 C 9.53 4.88 0.00 3.05 2.96 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 37 Q 9.27 4.83 0.00 2.36 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 38 W 9.37 4.46 0.00 3.46 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 39 G 10.01 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 40 G 7.59 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 41 R 8.27 3.82 0.00 1.52 1.62 0.00 2.67 0.00 0.00 2.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 42 Y 7.28 4.74 0.00 2.57 2.67 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 43 G 7.84 3.76 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 0.00 0.00 0.00 44 N 8.58 5.04 0.00 2.42 2.11 0.00 0.00 6.50 7.96 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 45 A 8.76 5.13 1.27 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 0.00 0.00 0.00 46 C 9.01 4.92 0.00 2.98 2.99 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 47 W 9.27 4.58 0.00 2.96 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.14 5.14 0.00 2.48 2.68 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 49 I 8.51 4.49 1.87 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.94 0.00 0.00 50 K 9.25 3.86 0.00 1.87 1.81 0.00 1.87 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.34 7.81 51 L 7.82 4.12 0.00 1.48 1.50 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.60 0.00 2.23 1.94 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 53 D 8.58 4.36 0.00 2.64 2.71 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 0.00 0.00 0.00 54 D 7.97 4.63 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.37 4.21 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 0.76 0.00 0.00 0.92 0.00 0.00 56 P 0.00 4.58 0.00 2.09 1.93 0.00 3.57 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 57 I 7.98 5.03 1.92 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 1.20 0.66 0.81 0.00 0.00 58 R 8.96 4.15 0.00 1.56 1.70 0.00 3.04 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 V 8.59 4.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 60 P 0.00 4.41 0.00 2.10 2.09 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 2.11 2.24 0.00 61 G 8.14 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.23 4.47 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.42 7.81 63 C 8.62 5.08 0.00 2.94 2.91 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 64 H 8.78 4.45 0.00 3.16 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00