NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.5923 8.2498 120.8526 62.7553 37.5319 173.7159 2 R 3.4443 7.9289 112.2158 55.4897 27.8073 173.8336 3 C 4.6188 8.6955 120.5878 57.2521 43.7537 175.5524 4 F 5.3214 7.5930 117.2166 56.9924 41.6382 174.5799 5 I 4.6036 7.5748 121.3046 60.3122 38.5433 172.8356 6 T 3.5564 7.8357 121.8468 62.1901 68.7695 170.6316 7 P 4.3949 0.0000 0.0000 62.9960 31.7663 174.1516 8 D 4.4181 8.6130 123.8213 54.9794 39.9171 174.5642 9 I 3.9149 7.8585 122.1801 61.9612 38.6343 176.8668 10 T 3.9265 8.5112 112.3745 64.7744 68.9067 174.8418 11 S 4.3565 7.6896 114.9981 56.6457 64.3131 169.8867 12 K 3.7234 8.6148 125.9799 55.8538 28.8482 175.5902 13 D 4.5255 8.3440 122.9477 53.9479 41.7175 176.9492 14 C 4.4926 8.5964 121.3396 55.8935 43.9218 171.6726 15 P 4.4363 0.0000 0.0000 62.2573 31.0689 175.3905 16 N 4.2647 7.0708 113.3658 54.5955 40.2996 174.2985 17 G 4.9743 8.2053 123.7459 45.9506 0.0000 170.5246 18 H 4.4822 8.4964 126.5179 58.5378 30.0055 175.4402 19 V 4.3289 8.0348 111.5624 59.2255 35.5926 175.4071 20 C 4.7948 8.8769 126.7212 57.1391 38.5399 170.7619 21 Y 4.5694 8.1860 122.4247 57.5107 38.1779 173.8156 22 T 4.7295 8.3282 122.8973 62.3726 66.7438 171.7975 23 K 4.1824 8.0778 125.2662 55.4808 33.4656 176.9886 24 T 4.6590 8.3024 123.0668 62.0463 67.5490 173.7876 25 W 4.8246 8.0212 132.9660 57.4412 33.4327 177.4695 26 C 3.8774 8.5492 111.6547 56.3800 36.9768 172.1069 27 D 4.0075 8.3496 116.0771 54.9065 39.3188 173.7925 28 A 3.2470 5.8000 122.2227 51.9265 16.9616 180.2510 29 F 4.2272 6.8908 113.4865 55.3822 39.0859 176.6400 30 C 3.6655 7.5932 126.3902 53.2308 43.8633 173.5778 31 S 3.6789 7.6771 111.5967 59.4550 61.3515 172.1393 32 I 4.5803 6.9778 127.4734 61.3396 37.6484 177.1392 33 R 4.5098 8.8736 126.8919 56.6077 32.0714 175.6437 34 G 4.1349 8.2573 107.3530 46.7421 0.0000 173.4750 35 K 3.9509 8.0923 123.8902 56.9296 32.9227 174.4839 36 R 3.6290 8.2147 123.8805 56.2385 29.0043 176.4075 37 V 3.2520 8.5325 120.2462 61.7470 29.7162 171.8996 38 D 4.3035 7.7579 122.2146 55.6158 42.0711 178.1067 39 L 4.5189 8.3973 123.6745 54.4094 44.6544 175.7329 40 G 4.5576 8.2214 105.9048 44.8425 0.0000 174.2449 41 C 5.0899 8.3943 113.9492 55.3497 43.5801 172.0714 42 A 4.4498 7.9310 124.9896 51.2843 22.7672 175.2136 43 A 4.7426 8.2631 122.0594 52.2011 20.6212 178.6975 44 T 3.0542 8.2012 114.3862 62.9066 67.5359 171.1748 45 C 4.2189 8.2302 116.2031 54.5124 42.1135 171.5853 46 P 4.1253 0.0000 0.0000 65.3849 31.5797 177.0247 47 T 4.2670 7.3670 111.0967 62.4075 70.2138 174.6633 48 V 3.3259 8.0416 117.3740 64.0328 29.4950 170.2279 49 K 4.4002 7.2275 118.6658 56.7628 35.3770 175.9942 50 T 3.0592 8.4221 109.1730 62.7202 68.9544 172.1830 51 G 3.4381 7.9044 107.5060 48.6504 0.0000 173.8805 52 V 3.8007 6.2074 118.2687 63.3133 30.7593 175.1812 53 D 4.5809 8.9283 127.5716 53.8919 40.4766 175.2899 54 I 4.3545 7.8899 123.6798 59.9777 39.2564 175.9842 55 Q 4.3087 8.0912 125.2508 54.1255 29.0116 172.1867 56 C 4.6798 8.4905 120.2401 57.0789 39.9840 171.4621 57 C 4.6417 9.0551 124.5984 54.8482 44.4052 173.1062 58 S 4.5024 8.4326 120.7429 58.1210 63.0583 175.5725 59 T 4.2324 7.7796 113.7623 61.7059 67.5117 172.8508 60 D 4.6533 8.7527 117.5010 55.6206 41.7659 176.0746 61 N 4.6614 8.0562 112.8484 54.2815 39.2992 174.2305 62 C 4.1236 8.0918 125.5470 55.3384 36.7930 171.2663 63 N 3.1400 7.6464 125.9940 50.5622 37.7306 173.6283 64 P 4.4826 0.0000 0.0000 62.2017 32.5382 176.2110 65 F 4.2083 8.9924 122.3195 60.9737 39.4639 173.9310 66 P 4.2488 0.0000 0.0000 63.1001 31.8107 176.2826 67 T 3.9025 8.6621 116.8884 64.3324 67.6860 173.9124 68 R 4.3694 7.2357 112.9657 55.8321 32.1695 173.0621 69 K 3.8810 8.9073 117.3110 57.9751 32.4422 176.7321 70 R 4.1743 8.6745 123.0836 58.2597 30.8023 174.7798 71 P 4.4195 0.0000 0.0000 63.0442 31.2973 176.1470 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 8.25 4.59 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.13 0.93 0.00 0.00 2 R 7.93 3.44 0.00 2.10 2.20 0.00 3.03 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 3 C 8.70 4.62 0.00 3.18 3.32 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 4 F 7.59 5.32 0.00 2.85 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 5 I 7.57 4.60 1.93 0.00 0.00 0.69 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 1.02 0.90 0.00 0.00 6 T 7.84 3.56 4.47 0.00 0.00 0.00 0.00 0.00 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 4.39 0.00 2.20 2.10 0.00 4.12 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 8 D 8.61 4.42 0.00 2.85 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 7.86 3.91 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.34 0.99 0.00 0.00 10 T 8.51 3.93 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 1.22 0.00 0.00 11 S 7.69 4.36 0.00 3.85 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 12 K 8.61 3.72 0.00 1.96 1.88 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 13 D 8.34 4.53 0.00 2.68 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 14 C 8.60 4.49 0.00 2.99 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 4.44 0.00 2.22 2.12 0.00 3.87 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 1.97 1.95 0.00 16 N 7.07 4.26 0.00 2.65 2.72 0.00 0.00 7.00 7.98 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 17 G 8.21 4.97 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 18 H 8.50 4.48 0.00 3.14 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.03 4.33 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 0.65 0.00 0.00 0.92 0.00 0.00 20 C 8.88 4.79 0.00 3.14 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 8.19 4.57 0.00 3.15 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 22 T 8.33 4.73 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 0.94 0.00 0.00 23 K 8.08 4.18 0.00 1.51 1.64 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.38 7.81 24 T 8.30 4.66 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 1.22 0.00 0.00 25 W 8.02 4.82 0.00 3.20 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 26 C 8.55 3.88 0.00 2.94 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 27 D 8.35 4.01 0.00 2.73 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 28 A 5.80 3.25 1.11 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 0.00 0.00 29 F 6.89 4.23 0.00 3.00 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 30 C 7.59 3.67 0.00 3.09 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 7.68 3.68 0.00 3.90 3.70 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 32 I 6.98 4.58 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 0.90 0.00 0.00 33 R 8.87 4.51 0.00 1.72 1.86 0.00 3.32 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 34 G 8.26 4.13 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 0.00 35 K 8.09 3.95 0.00 1.76 1.89 0.00 2.32 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 36 R 8.21 3.63 0.00 1.99 2.00 0.00 3.53 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 37 V 8.53 3.25 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 0.84 0.00 0.00 0.90 0.00 0.00 38 D 7.76 4.30 0.00 2.70 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 39 L 8.40 4.52 0.00 1.62 1.61 1.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.22 4.56 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 0.00 0.00 0.00 41 C 8.39 5.09 0.00 2.97 3.16 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 0.00 0.00 0.00 42 A 7.93 4.45 1.23 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 0.00 0.00 43 A 8.26 4.74 1.22 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 44 T 8.20 3.05 4.20 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 0.00 0.00 1.12 0.00 0.00 45 C 8.23 4.22 0.00 2.97 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 46 P 0.00 4.13 0.00 2.10 2.04 0.00 3.53 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 47 T 7.37 4.27 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 1.23 0.00 0.00 48 V 8.04 3.33 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 0.77 0.00 0.00 1.10 0.00 0.00 49 K 7.23 4.40 0.00 1.63 1.61 0.00 1.93 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.30 7.81 50 T 8.42 3.06 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 0.97 0.00 0.00 51 G 7.90 3.44 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 52 V 6.21 3.80 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 0.78 0.00 0.00 0.04 0.00 0.00 53 D 8.93 4.58 0.00 2.90 2.60 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 0.00 0.00 0.00 54 I 7.89 4.35 1.66 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 -0.30 -0.03 0.77 0.00 0.00 55 Q 8.09 4.31 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 56 C 8.49 4.68 0.00 3.22 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 57 C 9.06 4.64 0.00 3.11 3.15 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 58 S 8.43 4.50 0.00 3.81 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 59 T 7.78 4.23 4.29 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 1.35 0.00 0.00 60 D 8.75 4.65 0.00 2.72 2.72 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 0.00 0.00 0.00 61 N 8.06 4.66 0.00 2.79 2.91 0.00 0.00 6.23 7.71 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 62 C 8.09 4.12 0.00 3.41 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 63 N 7.65 3.14 0.00 2.32 2.27 0.00 0.00 6.38 7.68 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 64 P 0.00 4.48 0.00 2.21 2.10 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 65 F 8.99 4.21 0.00 2.87 3.15 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 66 P 0.00 4.25 0.00 2.09 2.03 0.00 3.73 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 2.08 2.17 0.00 67 T 8.66 3.90 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 1.19 0.00 0.00 68 R 7.24 4.37 0.00 1.90 1.87 0.00 3.11 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 69 K 8.91 3.88 0.00 1.77 1.83 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.49 7.81 70 R 8.67 4.17 0.00 1.80 1.98 0.00 3.40 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 71 P 0.00 4.42 0.00 2.04 1.99 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00