NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 I 4.1488 8.0244 114.3045 60.5629 38.9665 174.3517 15 R 3.6783 8.4932 119.7694 57.2049 29.7330 174.9786 16 R 4.8037 8.1996 111.9543 54.7679 33.0902 173.8048 17 L 4.3672 8.4366 118.4398 53.6846 42.5793 176.1013 18 P 4.5558 0.0000 0.0000 62.5154 32.9917 177.5843 19 F 3.3147 8.9000 123.5674 61.2779 39.2786 177.4787 20 S 3.8146 8.0439 112.3153 61.0199 62.2761 175.8119 21 F 4.1094 8.1857 122.6513 61.3819 39.2597 176.7589 22 A 4.5391 8.2491 121.8044 54.6892 17.9044 179.1886 23 N 4.0886 7.6282 114.8529 56.6083 39.0188 176.3948 24 R 3.6465 7.4779 119.4529 58.8049 30.1134 177.0202 25 F 4.4121 7.5550 112.9407 56.2567 40.0490 175.4818 26 K 3.7561 7.6749 119.9445 57.7213 29.7976 174.7286 27 L 5.5080 7.6353 116.9326 53.1111 46.3349 177.4376 28 V 4.8529 9.1765 122.1695 61.2608 35.0817 173.6243 29 L 4.8358 8.8560 130.1317 54.3796 43.0168 174.8658 30 D 5.2846 9.0322 124.8590 52.3838 45.3289 173.9655 31 W 5.5631 8.6767 120.1153 54.3812 33.2517 175.0370 32 N 4.6252 8.5658 120.6344 52.5581 37.6787 175.9668 33 E 3.5138 8.5571 117.1138 58.9766 29.7525 178.0730 34 D 4.4390 8.0109 118.9654 55.1775 41.1783 177.0504 35 F 4.4668 7.7825 116.2194 58.4441 36.8717 175.9851 36 S 4.7986 7.9076 115.7793 58.5846 64.0257 173.7569 37 Q 4.7535 9.0141 121.0891 54.0663 31.2166 174.3192 38 A 3.7218 8.3843 126.0893 50.1401 21.3553 175.5773 39 S 4.9445 8.2075 117.5344 56.5584 66.7824 173.1975 40 I 4.7593 8.9869 125.4922 59.8172 39.3167 174.2370 41 Y 5.2945 9.3883 126.0367 57.0753 39.9246 174.5103 42 Y 5.3656 9.2001 120.7297 55.3768 42.2390 173.3730 43 L 4.9594 7.7680 122.1191 52.9874 43.6959 176.1880 44 A 4.3330 8.5525 129.5198 51.3921 19.1582 175.2141 45 P 4.5756 0.0000 0.0000 61.9128 32.5372 175.8582 46 L 3.9816 8.2649 122.3853 54.8087 42.8474 176.4672 47 S 4.5809 8.2923 119.6595 57.0565 63.8154 174.6917 48 M 3.9597 8.4997 129.2910 58.4777 31.9333 178.0850 49 E 3.8262 8.2149 118.1380 59.8165 29.6113 179.5378 50 A 3.7616 7.7949 120.2009 54.7843 18.2985 179.4879 51 L 3.8789 7.9563 119.0611 58.2698 42.1746 179.3038 52 V 3.6002 8.3422 118.5441 66.0447 30.9518 177.5644 53 E 3.8925 8.3244 118.9972 59.4738 29.4601 178.8363 54 T 3.7966 8.1246 115.8362 66.6562 68.5950 176.5115 55 K 4.2235 8.3427 121.4765 59.4924 31.9777 178.6126 56 R 3.9029 8.0651 118.4775 59.1192 29.9974 177.8531 57 V 4.0156 7.3149 115.4104 64.0508 32.0685 177.5772 58 V 4.0424 7.8132 117.2246 64.0518 31.9765 176.8368 59 K 3.9669 8.2131 115.1946 56.9468 30.1590 174.7762 60 H 4.7959 8.3243 115.7535 54.2464 32.9595 172.4374 61 A 3.8358 8.5829 129.3931 52.9623 18.5987 176.4135 62 F 5.1689 7.3561 115.8570 54.8863 41.3352 174.2534 63 Q 4.2208 9.1712 122.7307 55.9215 30.4228 174.1920 64 L 5.1629 8.5125 127.3741 53.5601 43.9652 175.3054 65 I 4.5733 9.0452 127.4802 59.3923 40.3267 174.3832 66 E 3.7082 8.7011 128.3956 55.2733 30.3113 175.3755 67 L 5.1917 8.5134 126.3333 52.5990 45.3446 176.6035 68 S 4.3901 9.2547 117.0566 57.6914 64.2926 175.1520 69 Q 3.9767 8.7109 120.5045 59.3549 28.4680 178.0562 70 A 4.0521 7.9481 121.5898 54.9819 18.5874 179.0763 71 E 4.0413 7.9938 115.0198 58.8408 29.9155 178.9375 72 F 4.0344 8.5179 122.3512 60.9491 39.2783 176.7160 73 E 3.9749 8.3070 119.2850 59.1916 29.3945 178.8953 74 S 4.1689 7.8909 114.2709 60.8369 63.2734 176.3381 75 K 3.8589 7.8086 123.3473 59.2153 31.9710 178.4879 76 L 4.0292 7.4585 120.5588 58.3601 41.9218 179.1922 77 T 3.8835 7.6969 115.6226 66.6161 68.2392 176.1505 78 Q 3.8986 8.0523 120.4760 59.5838 29.0641 178.7936 79 V 3.6041 7.7627 117.4303 65.4110 31.6160 176.6064 80 Y 4.4576 7.7347 113.9068 57.0956 39.4054 175.8008 81 Q 3.9155 8.4223 123.0264 56.4153 29.5623 173.1971 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 14 I 8.02 4.15 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.94 0.00 0.00 15 R 8.49 3.68 0.00 1.72 2.00 0.00 3.34 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 16 R 8.20 4.80 0.00 1.99 1.94 0.00 2.62 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 17 L 8.44 4.37 0.00 1.97 1.93 0.96 1.33 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 18 P 0.00 4.56 0.00 2.28 2.06 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 19 F 8.90 3.31 0.00 2.60 2.92 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 20 S 8.04 3.81 0.00 3.99 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 21 F 8.19 4.11 0.00 3.28 3.27 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 22 A 8.25 4.54 1.57 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 0.00 0.00 23 N 7.63 4.09 0.00 1.59 2.42 0.00 0.00 7.20 8.48 0.00 0.00 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 R 7.48 3.65 0.00 1.61 1.08 0.00 2.90 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.21 0.00 25 F 7.56 4.41 0.00 2.64 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 26 K 7.67 3.76 0.00 1.57 0.88 0.00 1.41 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 1.30 7.81 27 L 7.64 5.51 0.00 1.67 1.65 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.18 4.85 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 1.06 0.00 0.00 1.05 0.00 0.00 29 L 8.86 4.84 0.00 1.67 1.67 0.50 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 D 9.03 5.28 0.00 3.04 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 31 W 8.68 5.56 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.57 4.63 0.00 2.68 2.96 0.00 0.00 6.89 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.56 3.51 0.00 2.04 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 0.00 2.22 2.31 0.00 34 D 8.01 4.44 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.47 0.00 3.09 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 36 S 7.91 4.80 0.00 3.98 4.11 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 37 Q 9.01 4.75 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 38 A 8.38 3.72 0.32 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 39 S 8.21 4.94 0.00 3.52 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 40 I 8.99 4.76 1.72 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.36 0.84 0.00 0.00 41 Y 9.39 5.29 0.00 3.02 3.03 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 0.00 0.00 0.00 0.00 42 Y 9.20 5.37 0.00 2.92 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 43 L 7.77 4.96 0.00 0.83 1.15 0.82 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.55 4.33 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 45 P 0.00 4.58 0.00 2.19 2.06 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 46 L 8.26 3.98 0.00 1.16 1.40 0.43 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.29 4.58 0.00 3.94 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 48 M 8.50 3.96 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 49 E 8.21 3.83 0.00 1.84 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 2.37 2.33 0.00 50 A 7.79 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.96 3.88 0.00 1.86 1.80 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.34 3.60 2.26 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 1.01 0.00 0.00 0.97 0.00 0.00 53 E 8.32 3.89 0.00 2.12 2.16 0.00 0.00 0.00 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 2.06 0.00 54 T 8.12 3.80 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 0.92 0.00 0.00 55 K 8.34 4.22 0.00 2.10 2.04 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.56 7.81 56 R 8.07 3.90 0.00 1.95 2.11 0.00 3.29 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 57 V 7.31 4.02 2.14 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 0.84 0.00 0.00 0.86 0.00 0.00 58 V 7.81 4.04 2.28 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 1.16 0.00 0.00 0.99 0.00 0.00 59 K 8.21 3.97 0.00 2.02 1.93 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.68 7.81 60 H 8.32 4.80 0.00 3.27 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.58 3.84 1.13 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 0.00 0.00 62 F 7.36 5.17 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 63 Q 9.17 4.22 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 64 L 8.51 5.16 0.00 1.78 1.66 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 65 I 9.05 4.57 1.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.43 1.03 0.00 0.00 66 E 8.70 3.71 0.00 1.51 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 67 L 8.51 5.19 0.00 1.62 1.61 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.25 4.39 0.00 3.98 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 69 Q 8.71 3.98 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 70 A 7.95 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 71 E 7.99 4.04 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 72 F 8.52 4.03 0.00 3.27 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 73 E 8.31 3.97 0.00 2.39 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 2.35 2.39 0.00 74 S 7.89 4.17 0.00 3.99 4.06 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 0.00 0.00 0.00 0.00 75 K 7.81 3.86 0.00 1.78 1.42 0.00 1.25 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.82 1.16 7.81 76 L 7.46 4.03 0.00 1.52 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.70 3.88 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 78 Q 8.05 3.90 0.00 2.02 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 79 V 7.76 3.60 1.93 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 0.28 0.00 0.00 0.92 0.00 0.00 80 Y 7.73 4.46 0.00 3.13 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.42 3.92 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00