NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1168 7.8833 121.0431 60.7273 40.0527 174.2012 2 R 4.5208 8.3336 128.6419 55.2290 30.9142 174.8071 3 C 5.2456 9.2726 121.9045 54.6014 45.4235 173.1917 4 F 4.5734 8.5688 120.1798 58.0949 38.3762 175.1086 5 I 4.3936 8.3017 125.3780 60.2683 39.2571 175.3620 6 T 4.7917 8.3327 120.9385 61.5288 70.7691 172.3044 7 P 4.7048 0.0000 0.0000 62.8576 31.7220 175.5190 8 D 4.6900 7.1845 118.0060 54.1852 41.6019 177.1230 9 I 3.6956 8.2294 122.3700 63.7471 37.5039 176.1370 10 T 4.7939 7.6639 114.7876 60.4616 69.9983 173.1755 11 S 4.5311 8.0619 118.9400 57.1006 64.5185 173.6920 12 K 4.6073 8.2361 120.4561 54.7454 37.0124 175.1628 13 D 4.6222 8.6471 121.8927 53.7708 41.3553 176.6677 14 C 4.7325 8.0760 124.6157 54.2348 40.5731 172.1749 15 P 4.0002 0.0000 0.0000 64.7099 31.6291 178.3280 16 N 3.8783 7.9803 121.4361 54.5785 34.5400 174.4590 17 G 3.7997 7.7400 108.5774 45.0779 0.0000 171.8176 18 H 4.6746 8.4208 122.5052 56.8664 29.2994 176.2685 19 V 4.7613 7.9536 111.8232 59.7587 36.0879 173.6908 20 C 5.2384 8.8002 121.7104 55.8574 41.3171 172.4484 21 Y 5.2801 8.6688 121.5757 55.7788 41.4795 174.8550 22 T 4.9703 8.6499 116.6630 61.5398 70.1783 172.5666 23 K 4.6646 8.9068 125.0894 56.5830 34.0186 176.1268 24 T 5.2446 9.2190 114.5228 60.2770 72.1574 172.7070 25 W 5.5346 8.8160 122.4950 55.1598 32.2144 172.9206 26 C 4.8914 9.0037 119.6863 55.8854 40.5505 172.9534 27 D 4.9329 8.4883 126.2260 52.9683 40.0834 176.6654 28 A 4.2383 8.7628 118.7473 55.1931 18.1665 179.1367 29 F 4.4492 8.3125 114.1559 59.0723 38.9968 175.4549 30 C 5.4520 7.9544 120.4079 56.7361 45.0234 176.0275 31 S 3.9173 7.9744 114.4430 61.1227 62.0242 174.7096 32 I 3.8986 6.9408 120.9898 62.4989 37.4344 176.5290 33 R 4.0473 7.3421 122.4772 55.7521 31.1387 175.5515 34 G 3.6528 7.7565 103.9006 43.2576 0.0000 173.1554 35 K 4.1808 8.2235 117.8727 56.4989 32.7676 177.4998 36 R 3.8388 8.0627 123.8870 56.2597 31.2796 175.6947 37 V 5.0085 7.9230 117.1473 58.5461 35.0675 174.2785 38 D 4.9170 9.1626 125.6262 52.8006 42.6491 175.4638 39 L 4.9085 8.7447 126.1050 53.4344 43.7880 176.5588 40 G 3.7346 6.3753 104.6056 46.6676 0.0000 168.6510 41 C 5.5959 7.8813 113.2164 53.8855 39.2613 172.6191 42 A 4.5748 8.3581 119.2481 51.4028 22.2836 177.7492 43 A 3.9600 8.7989 122.0300 55.0658 18.5706 177.7559 44 T 4.6489 7.4089 102.1462 59.4888 72.1892 173.7675 45 C 4.3630 8.6445 122.0513 55.9134 43.9548 171.4808 46 P 4.5314 0.0000 0.0000 62.1337 31.9489 175.9855 47 T 3.9347 8.0644 115.2353 63.5123 68.8496 174.4251 48 V 4.1870 7.9421 123.6543 60.8543 32.3729 175.8503 49 K 4.1625 8.1987 126.7928 56.1903 32.7531 176.4993 50 T 4.3073 8.1860 118.7126 64.9076 68.8003 173.2270 51 G 4.2223 9.1819 115.0593 45.3611 0.0000 174.1871 52 V 3.8465 6.8733 116.9661 62.2293 32.0767 175.5435 53 D 4.9781 9.0092 122.2704 52.5722 43.7560 174.4457 54 I 4.9383 8.3264 124.8616 58.8017 41.5521 175.0496 55 Q 4.3919 8.4115 126.5307 55.8825 30.7134 173.8882 56 C 5.3026 8.6169 124.1431 56.4046 36.8622 171.5047 57 C 4.8844 8.2195 114.3107 55.6724 45.0089 174.4068 58 S 4.6162 8.5894 110.6313 58.3797 64.7796 174.2353 59 T 4.2174 7.7986 117.6484 62.2560 69.1123 173.6495 60 D 4.1899 8.6934 125.5782 55.6524 40.7235 174.8127 61 N 4.0812 8.5762 124.5724 53.5072 35.3325 171.8060 62 C 5.1245 8.4036 110.3289 54.6201 43.0829 174.8120 63 N 5.0766 8.2212 116.5346 52.0430 37.4488 172.7843 64 P 3.9375 0.0000 0.0000 62.8292 31.8497 174.7856 65 F 4.6488 8.1154 120.7264 57.7661 39.8221 173.6175 66 P 4.6463 0.0000 0.0000 63.2968 33.7521 176.0629 67 T 3.7917 7.9615 114.3777 64.7769 69.2684 173.2220 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 I 7.88 4.12 1.85 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 1.31 1.26 0.92 0.00 0.00 2 R 8.33 4.52 0.00 1.80 1.70 0.00 3.31 0.00 0.00 3.19 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 3 C 9.27 5.25 0.00 2.74 2.86 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 0.00 0.00 0.00 4 F 8.57 4.57 0.00 3.08 2.87 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 5 I 8.30 4.39 1.85 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 1.15 0.84 0.90 0.00 0.00 6 T 8.33 4.79 4.51 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 1.30 0.00 0.00 7 P 0.00 4.70 0.00 2.14 2.11 0.00 3.75 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 1.92 1.97 0.00 8 D 7.18 4.69 0.00 2.66 2.63 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 9 I 8.23 3.70 1.89 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 1.27 0.29 0.88 0.00 0.00 10 T 7.66 4.79 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 1.22 0.00 0.00 11 S 8.06 4.53 0.00 3.44 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 12 K 8.24 4.61 0.00 1.57 1.63 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.47 7.81 13 D 8.65 4.62 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.08 4.73 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.00 0.00 2.15 1.97 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 16 N 7.98 3.88 0.00 2.67 2.76 0.00 0.00 7.13 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 17 G 7.74 3.80 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 0.00 0.00 0.00 18 H 8.42 4.67 0.00 3.25 3.37 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.95 4.76 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.10 0.00 0.00 20 C 8.80 5.24 0.00 2.95 3.13 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 21 Y 8.67 5.28 0.00 2.96 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 22 T 8.65 4.97 4.36 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 1.32 0.00 0.00 23 K 8.91 4.66 0.00 2.19 1.96 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.31 1.46 7.81 24 T 9.22 5.24 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 1.27 0.00 0.00 25 W 8.82 5.53 0.00 3.42 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.00 4.89 0.00 2.92 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 27 D 8.49 4.93 0.00 2.92 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 28 A 8.76 4.24 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 29 F 8.31 4.45 0.00 3.07 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 30 C 7.95 5.45 0.00 3.22 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 31 S 7.97 3.92 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.94 3.90 1.63 0.00 0.00 0.64 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 0.36 0.78 0.00 0.00 33 R 7.34 4.05 0.00 1.79 1.89 0.00 2.68 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.28 0.00 34 G 7.76 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.22 4.18 0.00 1.56 1.79 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 36 R 8.06 3.84 0.00 0.75 0.66 0.00 2.97 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.35 0.00 37 V 7.92 5.01 2.30 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 1.13 0.00 0.00 1.13 0.00 0.00 38 D 9.16 4.92 0.00 3.08 2.87 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 39 L 8.74 4.91 0.00 1.56 1.67 0.86 1.05 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 G 6.38 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 41 C 7.88 5.60 0.00 2.97 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 42 A 8.36 4.57 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.80 3.96 1.35 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 0.00 0.00 0.00 44 T 7.41 4.65 4.26 0.00 0.00 0.00 0.00 0.00 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 45 C 8.64 4.36 0.00 2.98 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 46 P 0.00 4.53 0.00 2.01 1.82 0.00 3.78 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 1.71 1.39 0.00 47 T 8.06 3.93 4.18 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 1.17 0.00 0.00 48 V 7.94 4.19 2.06 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 0.82 0.00 0.00 0.91 0.00 0.00 49 K 8.20 4.16 0.00 1.72 1.61 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.35 7.81 50 T 8.19 4.31 4.22 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 1.21 0.00 0.00 51 G 9.18 4.22 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 0.00 52 V 6.87 3.85 2.06 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 0.69 0.00 0.00 0.84 0.00 0.00 53 D 9.01 4.98 0.00 2.88 2.79 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 0.00 0.00 0.00 0.00 54 I 8.33 4.94 1.88 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 1.21 1.39 0.93 0.00 0.00 55 Q 8.41 4.39 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 56 C 8.62 5.30 0.00 2.94 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 57 C 8.22 4.88 0.00 2.92 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.62 0.00 3.83 3.86 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 0.00 0.00 0.00 59 T 7.80 4.22 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 1.23 0.00 0.00 60 D 8.69 4.19 0.00 2.61 2.63 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 61 N 8.58 4.08 0.00 2.80 2.86 0.00 0.00 6.81 7.19 0.00 0.00 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 C 8.40 5.12 0.00 3.07 3.23 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 0.00 0.00 0.00 0.00 63 N 8.22 5.08 0.00 2.89 2.96 0.00 0.00 6.16 7.75 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 64 P 0.00 3.94 0.00 2.00 1.66 0.00 3.93 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 65 F 8.12 4.65 0.00 2.66 2.85 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 66 P 0.00 4.65 0.00 2.09 2.02 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 67 T 7.96 3.79 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 1.04 0.00 0.00