NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5949 8.3649 120.5312 53.0269 41.0836 174.2660 2 P 4.0702 0.0000 0.0000 62.5161 31.9126 173.0668 3 S 4.4854 9.7702 122.4007 58.8317 69.2804 174.3648 4 K 4.2567 8.7745 119.9683 56.3712 31.3560 175.6782 5 G 4.5149 7.9419 106.4721 45.6260 0.0000 175.2340 6 R 4.4593 7.3447 119.8504 54.0571 29.0363 175.2855 7 W 5.2440 8.3594 120.2588 54.5415 32.4271 175.4175 8 V 4.7188 8.7788 123.1657 59.9749 33.8200 174.0417 9 E 5.1572 9.1253 124.5244 55.3069 30.8167 175.2908 10 G 3.7481 8.3405 113.1962 44.2881 0.0000 171.3904 11 I 4.9673 8.3937 122.9007 60.3600 38.2164 175.1589 12 T 4.8907 8.7574 115.0989 59.3158 72.4227 173.2722 13 S 4.0058 8.7655 116.4151 60.2030 62.9235 173.1412 14 E 4.1169 8.5191 130.5435 57.3208 29.0364 173.6342 15 G 3.0817 6.3418 106.9511 45.7996 0.0000 171.3819 16 Y 5.2347 7.6157 116.7375 56.4721 42.7251 176.3694 17 H 5.4705 9.2711 118.1668 54.4117 30.8677 173.2034 18 Y 3.9316 8.4918 122.0383 54.9416 40.8084 174.3700 19 Y 5.9246 7.9792 117.4698 55.6125 42.2795 174.0204 20 Y 5.3190 8.8346 121.7921 56.0175 43.3194 173.0241 21 D 4.3926 7.3026 124.8249 51.1532 42.4542 176.9820 22 L 4.1721 8.1707 126.2393 58.0196 41.3076 178.2610 23 I 3.7041 7.5086 120.0944 64.4119 37.1766 177.4510 24 S 4.1293 7.8725 114.8144 59.1126 63.7620 174.6561 25 G 3.9550 8.4049 106.0443 44.6641 0.0000 172.9490 26 A 4.7807 6.4466 118.5111 50.2698 23.4957 176.8058 27 S 5.0947 8.8902 117.5404 58.0864 64.1984 173.3638 28 Q 4.8390 9.9072 125.1245 54.5243 32.5114 175.4352 29 W 4.3952 8.7768 118.4655 58.0994 31.6382 176.5521 30 E 4.1331 8.2742 117.1173 55.6541 29.3243 176.5405 31 K 3.4167 8.6555 125.9728 55.3682 32.5341 174.8935 32 P 4.3525 0.0000 0.0000 62.0900 32.5640 176.7467 33 E 4.2097 8.5132 119.5960 52.4610 27.9793 175.3784 34 G 4.2054 6.8107 126.8629 45.8061 0.0000 168.6854 35 F 4.7707 7.1236 119.9305 56.8038 42.9541 173.1798 36 Q 3.2544 7.3182 118.0321 56.8220 26.1552 176.2370 37 G 3.5902 7.6513 106.4803 46.8109 0.0000 174.0481 38 D 4.5836 8.4134 125.5673 53.6403 41.9709 175.8779 39 L 4.1905 7.7414 121.3652 54.3103 42.5990 175.4784 40 K 3.6064 8.9042 128.6843 55.3012 31.6409 172.3618 41 K 3.5576 8.8425 125.5926 57.0520 29.8964 174.6685 42 T 3.4953 8.6476 120.6866 64.1346 65.8332 171.4169 43 A 4.7210 7.3966 123.6708 50.5598 22.2518 177.2406 44 V 4.2167 8.0675 118.0276 60.7358 31.6128 173.3435 45 K 4.4251 8.0892 124.8852 54.2281 34.5981 176.2559 46 T 4.3203 8.3947 117.0140 60.8782 69.9283 174.6772 47 V 3.7246 8.2578 120.3623 63.7583 31.8472 176.5021 48 W 4.9285 7.5582 120.1605 55.5427 30.3742 176.3680 49 V 4.5015 8.6605 123.2486 60.0449 33.5276 174.2244 50 E 4.8158 8.9487 125.3250 55.3606 30.3963 175.3004 51 G 3.3491 8.5336 113.9590 43.8417 0.0000 170.9774 52 L 5.4067 8.3347 122.0372 53.3135 44.1534 175.7137 53 S 4.6944 9.3384 121.1449 58.1432 67.5407 175.1944 54 E 3.6611 8.8192 121.7683 56.1439 28.6217 174.3956 55 D 4.2955 8.6850 115.2511 55.8663 41.2827 177.1712 56 G 5.2918 6.9702 121.6745 46.4006 0.0000 172.2192 57 F 4.6864 8.8917 119.0804 56.3161 41.4304 176.4006 58 T 4.9268 8.5362 120.0612 62.4010 69.5002 173.6231 59 Y 4.3051 8.3768 125.3032 55.0428 41.0282 174.2874 60 Y 6.0485 8.2516 118.3592 55.7687 41.6579 174.0782 61 Y 5.5064 9.0216 122.7116 55.9526 43.0656 173.0379 62 N 4.3863 6.8892 122.0194 51.6023 40.5584 175.5842 63 T 4.0142 8.2352 115.9236 63.6910 69.5315 175.4033 64 E 3.8402 7.8524 122.7015 58.9038 29.9451 177.0649 65 T 4.0470 7.5028 111.6670 62.8757 68.9897 175.3417 66 G 4.3991 7.8200 108.3485 45.1500 0.0000 172.8302 67 E 4.8215 6.8620 118.6245 54.3620 33.4961 175.6253 68 S 4.9895 9.0940 121.6386 58.4975 64.4954 173.2080 69 R 4.8735 9.7159 121.4688 54.2051 34.0665 174.9256 70 W 4.8065 8.7582 120.8230 55.9566 30.4038 175.1991 71 E 4.7710 8.0640 115.5043 54.6616 32.9436 175.0399 72 K 3.9824 8.6426 123.7735 55.1941 32.3399 175.1082 73 P 4.2120 0.0000 0.0000 62.5600 31.8973 175.5097 74 D 4.8391 8.1453 119.8596 52.2973 41.4980 176.1006 75 D 4.2180 8.1692 118.3030 53.9229 39.1153 175.0773 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 D 8.36 4.59 0.00 2.67 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 2 P 0.00 4.07 0.00 2.12 2.02 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 3 S 9.77 4.49 0.00 3.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 4.26 0.00 2.02 1.87 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.37 7.81 5 G 7.94 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 0.00 0.00 0.00 0.00 6 R 7.34 4.46 0.00 1.57 1.80 0.00 3.22 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 7 W 8.36 5.24 0.00 3.45 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 8 V 8.78 4.72 2.21 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 0.97 0.00 0.00 0.99 0.00 0.00 9 E 9.13 5.16 0.00 2.59 2.08 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 2.33 2.82 0.00 10 G 8.34 3.75 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 0.00 0.00 0.00 11 I 8.39 4.97 1.93 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 1.38 0.89 0.96 0.00 0.00 12 T 8.76 4.89 4.63 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 1.23 0.00 0.00 13 S 8.77 4.01 0.00 3.92 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 14 E 8.52 4.12 0.00 2.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 15 G 6.34 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 0.00 0.00 0.00 16 Y 7.62 5.23 0.00 3.30 3.09 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 0.00 0.00 0.00 17 H 9.27 5.47 0.00 3.00 3.09 0.00 5.68 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 18 Y 8.49 3.93 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.98 5.92 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 20 Y 8.83 5.32 0.00 3.18 2.80 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 21 D 7.30 4.39 0.00 1.58 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 22 L 8.17 4.17 0.00 1.81 1.89 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.51 3.70 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.37 0.84 0.00 0.00 24 S 7.87 4.13 0.00 3.70 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 25 G 8.40 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 0.00 0.00 0.00 26 A 6.45 4.78 1.17 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 0.00 0.00 0.00 0.00 0.00 27 S 8.89 5.09 0.00 3.90 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 28 Q 9.91 4.84 0.00 2.56 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 29 W 8.78 4.40 0.00 3.25 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 30 E 8.27 4.13 0.00 1.98 1.88 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 2.36 2.26 0.00 31 K 8.66 3.42 0.00 1.73 1.63 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.22 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.01 0.37 7.81 32 P 0.00 4.35 0.00 1.94 1.60 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 33 E 8.51 4.21 0.00 1.91 1.90 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 2.25 2.28 0.00 34 G 6.81 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 0.00 0.00 0.00 0.00 35 F 7.12 4.77 0.00 2.57 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 36 Q 7.32 3.25 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.75 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 37 G 7.65 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.41 4.58 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 39 L 7.74 4.19 0.00 1.53 1.52 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.90 3.61 0.00 1.91 1.79 0.00 1.96 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.40 7.81 41 K 8.84 3.56 0.00 2.03 1.79 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.50 7.81 42 T 8.65 3.50 4.23 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 1.20 0.00 0.00 43 A 7.40 4.72 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 4.22 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 0.83 0.00 0.00 0.92 0.00 0.00 45 K 8.09 4.43 0.00 1.66 1.62 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.48 7.81 46 T 8.39 4.32 4.31 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 1.22 0.00 0.00 47 V 8.26 3.72 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 0.61 0.00 0.00 0.72 0.00 0.00 48 W 7.56 4.93 0.00 3.21 3.17 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 0.00 0.00 0.00 49 V 8.66 4.50 2.18 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 0.92 0.00 0.00 0.98 0.00 0.00 50 E 8.95 4.82 0.00 2.24 1.97 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 2.15 2.45 0.00 51 G 8.53 3.35 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 0.00 52 L 8.33 5.41 0.00 1.66 1.62 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.34 4.69 0.00 3.97 3.91 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 54 E 8.82 3.66 0.00 2.03 1.92 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 2.13 2.00 0.00 55 D 8.68 4.30 0.00 2.93 2.84 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 56 G 6.97 5.29 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 0.00 57 F 8.89 4.69 0.00 3.36 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 58 T 8.54 4.93 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 0.99 0.00 0.00 59 Y 8.38 4.31 0.00 2.11 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 0.00 0.00 0.00 0.00 60 Y 8.25 6.05 0.00 2.87 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 61 Y 9.02 5.51 0.00 3.26 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 62 N 6.89 4.39 0.00 1.44 1.71 0.00 0.00 6.44 6.60 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 63 T 8.24 4.01 4.23 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 1.29 0.00 0.00 64 E 7.85 3.84 0.00 1.75 1.75 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 2.19 2.22 0.00 65 T 7.50 4.05 4.16 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 1.07 0.00 0.00 66 G 7.82 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 6.86 4.82 0.00 1.97 1.79 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 2.37 2.36 0.00 68 S 9.09 4.99 0.00 3.95 4.09 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 0.00 0.00 0.00 69 R 9.72 4.87 0.00 1.97 1.79 0.00 2.85 0.00 0.00 2.72 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 70 W 8.76 4.81 0.00 3.32 3.24 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 0.00 71 E 8.06 4.77 0.00 1.94 1.83 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 2.28 2.47 0.00 72 K 8.64 3.98 0.00 1.77 1.69 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.14 1.52 7.81 73 P 0.00 4.21 0.00 1.84 1.43 0.00 3.17 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.00 74 D 8.15 4.84 0.00 2.76 2.65 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 75 D 8.17 4.22 0.00 2.73 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