NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3174 8.4293 120.2262 55.9139 30.6138 175.6473 5 P 4.4641 0.0000 0.0000 62.5150 32.6176 175.7533 6 C 4.7765 7.0048 118.7987 57.2752 33.7468 172.3017 7 V 4.3154 7.5081 126.8941 60.8699 36.2668 175.8265 8 E 4.1175 7.9387 120.7087 58.8599 29.2799 179.2753 9 S 4.2854 8.0409 114.0379 61.3962 63.1424 176.4464 10 L 4.0749 7.6409 121.4285 57.3298 41.1688 179.5648 11 V 3.7111 7.7878 118.2123 65.9653 31.3787 178.1442 12 S 4.2163 7.7599 112.6798 61.7212 62.6766 176.4996 13 Q 4.1513 8.0461 121.5560 58.7282 28.4757 178.0901 14 Y 4.5152 8.3256 120.7024 60.6061 38.6921 177.5264 15 F 4.1724 8.2482 121.8585 61.2055 39.4167 177.1980 16 Q 3.8677 7.8723 116.5370 59.2175 28.5810 178.7767 17 T 4.0506 7.5927 115.4325 66.4461 68.1775 176.9214 18 V 3.4039 6.9728 119.1087 66.2869 31.3405 178.0029 19 T 3.8758 7.3059 115.5123 66.5412 68.2548 176.5540 20 D 4.3852 7.9954 121.0359 57.4306 40.2723 178.1343 21 Y 4.3852 7.5393 121.5163 60.0925 38.7835 178.3498 22 G 3.6367 7.9038 105.4208 47.3313 0.0000 175.9436 23 K 4.0121 7.7484 120.5226 59.3659 32.0209 179.0881 24 D 4.5466 7.7387 120.1091 56.8575 40.8012 178.6379 25 L 4.0255 7.3622 118.3864 57.5826 41.6464 179.0474 26 M 4.0362 7.9277 118.3352 58.5540 31.5561 178.1417 27 E 3.9943 7.9408 118.9555 58.9920 29.4148 178.4678 28 K 4.3601 7.4640 116.3374 56.2360 32.2703 178.1152 29 V 4.0453 7.2763 119.0237 64.9128 32.3477 177.5575 30 K 4.5936 8.0876 118.6193 57.8166 31.5757 179.4634 31 S 4.1676 7.7830 115.6565 60.9020 62.6448 174.7775 32 P 4.3508 0.0000 0.0000 64.8491 30.9708 177.4713 33 E 4.0509 7.7501 118.2050 57.6976 29.1697 178.2099 34 L 4.6845 7.1322 115.6156 55.9566 42.8395 175.8400 35 Q 4.0260 7.8813 120.4650 56.4210 29.7181 176.1772 36 A 4.3789 8.1709 126.4478 51.5175 17.8504 178.3953 37 E 3.8733 8.1058 125.5701 58.5660 30.1882 177.2313 38 A 4.6639 7.7768 119.3405 52.3917 20.7056 178.6936 39 K 4.2470 8.0323 115.7523 59.2415 32.6482 179.4658 40 S 4.2017 7.6174 114.5189 60.6334 62.8390 175.9721 41 Y 3.8193 7.6375 122.7911 60.3048 38.3702 177.3764 42 F 4.5618 7.4885 113.7192 58.9602 37.8901 176.6376 43 E 4.2436 7.3728 119.0833 58.7001 29.6732 178.4460 44 K 4.2059 8.0651 120.1232 58.5198 32.0112 179.5416 45 S 4.0829 8.0004 114.8906 61.3045 62.9556 176.7363 46 K 4.1251 7.8294 121.2691 58.7819 31.4197 178.1680 47 E 4.4203 7.7508 116.8834 56.5977 29.0099 177.3434 48 Q 4.3126 7.5017 118.0952 57.3315 30.7639 177.7100 49 L 4.0125 7.8377 119.6555 58.0461 41.6976 179.6956 50 T 3.9280 7.6875 115.0632 66.3400 68.4509 175.0195 51 P 4.2583 0.0000 0.0000 65.4238 31.1306 178.6193 52 L 4.0777 7.5115 117.6017 58.4969 40.4435 179.1763 53 I 3.9502 7.3905 119.6039 64.0217 37.2998 177.8695 54 K 4.1966 8.1897 117.7245 57.6930 32.0527 179.0221 55 K 3.9894 7.9837 120.6945 59.0357 32.0968 178.1689 56 A 4.4214 7.2893 122.0908 53.6377 17.9780 179.6271 57 G 3.5069 7.8163 104.1857 47.2286 0.0000 174.8988 58 T 4.2852 7.4589 111.7688 62.7625 67.9628 174.7952 59 E 3.6559 7.4972 117.8527 58.2204 30.8842 177.4802 60 L 4.1361 8.1291 118.3878 58.1971 42.1144 180.0802 61 V 3.6157 7.6194 117.3839 66.2041 31.5125 177.7006 62 N 4.4185 7.8585 115.6655 56.2181 38.1316 177.2224 63 F 4.9788 8.1749 119.2366 60.1450 38.8823 177.6345 64 L 4.1943 8.1396 118.9249 57.2975 41.4593 179.1287 65 S 4.1955 8.2374 112.7196 61.5443 62.8310 175.5816 66 Y 4.6173 8.3639 121.8080 59.4237 37.8613 177.8594 67 F 3.8322 7.7821 122.4001 60.7613 39.3497 177.3428 68 V 3.4028 7.5828 118.3120 65.8644 30.7801 177.8312 69 E 4.0613 7.8788 117.4874 57.8211 28.9612 177.8969 70 L 4.6511 7.2138 117.7389 55.0342 41.1014 177.0115 71 G 3.2598 7.6687 106.1724 47.1343 0.0000 175.0933 72 T 4.1052 7.4339 116.7577 65.3580 69.0383 177.3232 73 Q 3.9313 8.0376 120.2928 58.3063 28.7774 176.8975 74 P 4.1813 0.0000 0.0000 65.5523 30.8255 178.0145 75 A 4.0691 7.3144 119.2335 54.7412 18.3414 178.7649 76 T 4.0184 7.9632 112.6340 63.4009 68.8494 174.6297 77 Q 3.7701 7.7338 127.2935 56.5178 30.6816 172.7830 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 4 E 8.43 4.32 0.00 1.97 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 2.21 2.30 0.00 5 P 0.00 4.46 0.00 2.25 2.15 0.00 3.77 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 1.94 2.01 0.00 6 C 7.00 4.78 0.00 2.90 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 7 V 7.51 4.32 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 0.68 0.00 0.00 0.93 0.00 0.00 8 E 7.94 4.12 0.00 2.00 2.04 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 2.40 2.31 0.00 9 S 8.04 4.29 0.00 4.06 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 10 L 7.64 4.07 0.00 1.93 1.75 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.79 3.71 2.23 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 1.09 0.00 0.00 0.98 0.00 0.00 12 S 7.76 4.22 0.00 4.21 4.14 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 13 Q 8.05 4.15 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 14 Y 8.33 4.52 0.00 3.10 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 15 F 8.25 4.17 0.00 3.19 3.22 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 16 Q 7.87 3.87 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 17 T 7.59 4.05 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 18 V 6.97 3.40 1.85 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 0.65 0.00 0.00 0.51 0.00 0.00 19 T 7.31 3.88 4.17 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 1.09 0.00 0.00 20 D 8.00 4.39 0.00 2.88 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 21 Y 7.54 4.39 0.00 3.05 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 22 G 7.90 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.75 4.01 0.00 1.96 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.67 7.81 24 D 7.74 4.55 0.00 2.53 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.36 4.03 0.00 1.57 1.59 0.79 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.93 4.04 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 27 E 7.94 3.99 0.00 2.09 1.95 0.00 0.00 0.00 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 28 K 7.46 4.36 0.00 1.82 1.81 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.24 7.81 29 V 7.28 4.05 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 0.84 0.00 0.00 0.94 0.00 0.00 30 K 8.09 4.59 0.00 1.82 1.82 0.00 1.98 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.33 7.81 31 S 7.78 4.17 0.00 3.98 4.14 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 32 P 0.00 4.35 0.00 2.28 2.34 0.00 3.60 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 2.17 2.17 0.00 33 E 7.75 4.05 0.00 2.23 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 2.32 2.45 0.00 34 L 7.13 4.68 0.00 1.55 1.69 0.98 0.75 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 35 Q 7.88 4.03 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.58 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 36 A 8.17 4.38 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 37 E 8.11 3.87 0.00 1.94 1.99 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 2.29 2.31 0.00 38 A 7.78 4.66 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 39 K 8.03 4.25 0.00 1.78 1.85 0.00 1.81 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.50 7.81 40 S 7.62 4.20 0.00 3.99 4.10 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 0.00 0.00 0.00 0.00 41 Y 7.64 3.82 0.00 3.14 3.02 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 0.00 0.00 0.00 0.00 42 F 7.49 4.56 0.00 3.08 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 43 E 7.37 4.24 0.00 1.97 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 2.15 1.58 0.00 44 K 8.07 4.21 0.00 1.50 1.53 0.00 1.44 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.38 7.81 45 S 8.00 4.08 0.00 4.09 4.14 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 46 K 7.83 4.13 0.00 2.02 1.91 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.51 1.75 7.81 47 E 7.75 4.42 0.00 2.09 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 2.28 2.51 0.00 48 Q 7.50 4.31 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.58 0.00 49 L 7.84 4.01 0.00 1.71 1.71 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.69 3.93 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 1.20 0.00 0.00 51 P 0.00 4.26 0.00 2.13 2.08 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 52 L 7.51 4.08 0.00 1.76 1.79 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.39 3.95 2.02 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 1.76 0.93 0.91 0.00 0.00 54 K 8.19 4.20 0.00 1.92 1.82 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 K 7.98 3.99 0.00 2.06 1.92 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 56 A 7.29 4.42 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.82 3.51 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 58 T 7.46 4.29 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 59 E 7.50 3.66 0.00 1.86 1.55 0.00 0.00 0.00 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 60 L 8.13 4.14 0.00 1.76 1.76 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.62 3.62 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 1.07 0.00 0.00 0.92 0.00 0.00 62 N 7.86 4.42 0.00 2.62 2.76 0.00 0.00 7.14 8.13 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 63 F 8.17 4.98 0.00 3.28 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 64 L 8.14 4.19 0.00 1.95 1.81 0.98 0.80 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 65 S 8.24 4.20 0.00 4.02 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 66 Y 8.36 4.62 0.00 3.41 3.48 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 0.00 0.00 0.00 0.00 67 F 7.78 3.83 0.00 2.99 3.20 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 0.00 68 V 7.58 3.40 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 1.00 0.00 0.00 1.05 0.00 0.00 69 E 7.88 4.06 0.00 2.31 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 2.32 2.48 0.00 70 L 7.21 4.65 0.00 1.62 1.61 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.67 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 0.00 0.00 0.00 72 T 7.43 4.11 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 1.15 0.00 0.00 73 Q 8.04 3.93 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 74 P 0.00 4.18 0.00 2.19 2.25 0.00 3.43 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 75 A 7.31 4.07 1.36 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 0.00 0.00 76 T 7.96 4.02 4.28 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 0.00 0.00 0.00 1.19 0.00 0.00 77 Q 7.73 3.77 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00