NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.0270 8.0544 120.3954 63.0548 32.4228 172.8210 12 Q 3.8127 8.3734 118.6490 56.9972 28.9116 176.3713 13 R 4.0722 9.0879 115.4906 55.7992 33.8269 174.5440 14 P 4.2191 0.0000 0.0000 66.2384 31.1762 179.1018 15 L 3.9640 7.8099 115.3547 57.7679 41.5481 178.8324 16 D 4.5737 8.1382 118.3565 57.2687 40.8454 178.4985 17 A 4.0964 8.3639 121.7035 55.0282 18.4017 179.2018 18 L 4.0743 8.1072 119.0427 58.3727 41.8780 179.5455 19 G 3.9677 8.0582 105.1208 47.6876 0.0000 175.2265 20 N 4.5354 8.5171 117.8939 55.4858 38.8156 176.4599 21 S 4.5118 8.0623 115.5996 57.6176 63.4386 174.0377 22 L 4.2629 7.3467 122.6193 56.3844 41.8409 176.8745 23 N 4.3320 9.3564 118.5578 53.9282 36.9726 174.0145 24 S 4.9623 7.8438 114.1925 55.7632 66.9375 171.7841 25 P 4.9248 0.0000 0.0000 62.9623 32.3028 176.0136 26 V 5.0671 9.0762 116.2922 59.7892 36.8806 174.2613 27 I 4.6872 9.2393 123.3525 59.8238 39.5733 174.9728 28 I 4.6776 9.0516 128.9776 59.4324 39.2760 174.5777 29 K 4.3151 8.4918 130.2021 55.3378 33.3940 175.9553 30 L 5.0776 8.6086 127.1838 52.5017 43.6206 176.0578 31 K 4.0344 8.5126 119.7805 57.5302 33.1538 178.4062 32 G 3.6411 8.7381 110.1268 45.2233 0.0000 172.9867 33 D 4.2818 7.1523 114.6633 55.2522 40.1862 173.1487 34 R 4.7325 7.3098 114.1319 54.7479 33.8510 175.8221 35 E 5.1864 8.3319 119.0052 55.1001 33.5915 173.8106 36 F 5.1018 9.4312 124.3581 55.7753 43.0820 174.3592 37 R 5.2639 8.8891 119.3743 53.0852 34.7340 175.3786 38 G 3.9138 7.8431 106.2289 46.9022 0.0000 170.4752 39 V 4.8465 7.7906 120.0460 60.8952 33.6292 175.4353 40 L 4.4616 8.8084 130.8229 55.2926 42.4247 177.0634 41 K 4.8477 8.9141 124.8039 56.6794 34.7918 176.0412 42 S 4.6572 7.8393 112.0804 57.7517 65.5054 173.8587 43 F 5.9209 8.1281 117.3265 57.3383 40.3871 172.3424 44 D 5.0411 8.4305 119.1058 51.1679 42.1019 176.4807 45 L 4.1503 8.3421 117.6938 57.5778 41.4076 177.9470 46 H 4.4636 8.2193 114.6222 56.0688 29.0881 176.1882 47 M 3.3201 8.2829 118.1669 55.6824 30.0599 176.5297 48 N 4.9376 8.2254 117.3612 53.7713 39.8722 174.0323 49 L 4.9902 8.7771 121.0022 54.9658 44.7062 173.9373 50 V 4.8931 8.7433 119.6039 61.1729 34.1933 174.3363 51 L 5.3518 8.9090 126.8581 53.1491 45.1566 175.1241 52 N 5.1624 8.8999 118.3049 51.6198 42.0232 174.2036 53 D 4.4140 8.5365 117.7647 55.3536 38.9118 173.8949 54 A 4.8670 7.8273 119.3657 51.5918 20.7302 177.6924 55 E 5.0411 9.3068 119.8332 54.4855 34.0555 174.3428 56 E 3.8944 8.6078 124.0277 54.3131 31.8653 174.6775 57 L 5.2754 8.6550 126.1639 53.1583 45.6691 175.0649 58 E 4.5200 9.0446 121.7944 55.9934 33.2329 174.8829 59 D 4.2032 10.2306 123.4793 54.6379 40.2634 173.6330 60 G 4.1085 8.1109 103.2604 45.9042 0.0000 173.5817 61 E 4.6513 8.4738 119.8956 53.9490 32.3111 175.4919 62 V 4.0775 8.2694 122.1286 63.2035 31.7707 175.7035 63 T 4.4819 8.4865 117.7112 62.1324 70.2855 174.4565 64 R 4.5559 7.5326 120.6632 55.4406 33.7076 173.3517 65 R 4.7900 8.5867 123.2612 54.6433 31.6379 175.7086 66 L 4.4649 8.9555 123.6154 52.5510 42.5852 179.1440 67 G 3.7280 8.1935 109.9321 47.0705 0.0000 174.4163 68 T 4.7768 8.4554 120.7580 63.2878 69.1469 173.8680 69 V 4.5178 8.9195 124.5936 60.0594 35.4217 173.4131 70 L 4.9747 8.4877 124.8946 53.6098 43.7052 175.1668 71 I 4.3921 8.4475 127.5958 59.2832 40.0717 175.5118 72 R 4.5388 8.4797 126.0954 55.6460 30.7882 177.9874 73 G 3.7652 9.4160 112.1580 47.9111 0.0000 175.1006 74 D 4.2813 8.0862 118.2299 56.7310 41.4974 176.4156 75 N 4.6514 8.0394 115.0092 53.6792 39.1623 174.9109 76 I 4.3636 7.6396 120.5840 61.1769 38.0285 175.4595 77 V 4.2608 8.7942 125.4380 64.6183 32.4098 175.1593 78 Y 4.9810 7.0923 115.8857 56.1339 41.3222 173.0666 79 I 5.3296 8.4457 120.1976 59.7956 40.7691 174.9350 80 S 4.7801 9.0832 120.0180 56.3437 67.0674 173.2172 81 R 4.2744 8.7312 121.2738 55.5442 30.4398 175.7738 82 G 4.2292 9.4786 111.3160 45.2750 0.0000 173.5206 83 K 4.1274 8.7963 125.4706 56.9749 32.9630 174.0482 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 11 V 8.05 4.03 2.12 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 0.97 0.00 0.00 0.99 0.00 0.00 12 Q 8.37 3.81 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 13 R 9.09 4.07 0.00 2.09 1.87 0.00 3.38 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 14 P 0.00 4.22 0.00 2.13 2.10 0.00 3.60 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 2.11 2.19 0.00 15 L 7.81 3.96 0.00 1.67 1.88 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.14 4.57 0.00 2.89 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 17 A 8.36 4.10 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 18 L 8.11 4.07 0.00 1.66 1.12 -0.36 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.06 3.97 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 20 N 8.52 4.54 0.00 2.75 2.92 0.00 0.00 6.99 7.59 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 21 S 8.06 4.51 0.00 4.05 3.90 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 22 L 7.35 4.26 0.00 1.80 1.67 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.36 4.33 0.00 2.85 2.96 0.00 0.00 6.79 7.58 0.00 0.00 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 S 7.84 4.96 0.00 3.98 3.74 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 25 P 0.00 4.92 0.00 2.08 1.98 0.00 3.55 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 2.12 2.13 0.00 26 V 9.08 5.07 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 0.98 0.00 0.00 1.02 0.00 0.00 27 I 9.24 4.69 2.07 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 1.27 1.09 1.00 0.00 0.00 28 I 9.05 4.68 1.94 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 1.16 1.08 0.86 0.00 0.00 29 K 8.49 4.32 0.00 0.79 0.74 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.93 1.18 7.81 30 L 8.61 5.08 0.00 1.63 1.55 1.06 0.77 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 31 K 8.51 4.03 0.00 1.72 1.73 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.55 7.81 32 G 8.74 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 33 D 7.15 4.28 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.31 4.73 0.00 1.87 1.85 0.00 3.33 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 35 E 8.33 5.19 0.00 2.04 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 36 F 9.43 5.10 0.00 3.02 2.95 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 0.00 0.00 0.00 37 R 8.89 5.26 0.00 1.71 1.78 0.00 3.24 0.00 0.00 3.27 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00 38 G 7.84 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 0.00 0.00 0.00 39 V 7.79 4.85 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 1.02 0.00 0.00 0.95 0.00 0.00 40 L 8.81 4.46 0.00 1.87 1.73 1.06 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.91 4.85 0.00 1.62 1.81 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.63 7.81 42 S 7.84 4.66 0.00 3.82 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 0.00 43 F 8.13 5.92 0.00 3.15 3.01 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 44 D 8.43 5.04 0.00 2.84 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 45 L 8.34 4.15 0.00 1.53 1.73 0.91 1.10 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 46 H 8.22 4.46 0.00 3.44 3.35 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.28 3.32 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 48 N 8.23 4.94 0.00 2.97 2.75 0.00 0.00 6.55 6.82 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 49 L 8.78 4.99 0.00 1.96 1.84 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.74 4.89 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 1.06 0.00 0.00 0.93 0.00 0.00 51 L 8.91 5.35 0.00 1.63 1.56 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.90 5.16 0.00 2.71 2.70 0.00 0.00 7.32 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.54 4.41 0.00 2.80 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 54 A 7.83 4.87 1.47 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 0.00 0.00 0.00 55 E 9.31 5.04 0.00 1.79 1.72 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 2.20 2.21 0.00 56 E 8.61 3.89 0.00 1.16 1.44 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 1.86 1.47 0.00 57 L 8.66 5.28 0.00 1.50 1.44 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.04 4.52 0.00 1.91 1.68 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 0.00 2.18 2.23 0.00 59 D 10.23 4.20 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.11 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 0.00 0.00 0.00 61 E 8.47 4.65 0.00 1.93 1.80 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 2.19 2.29 0.00 62 V 8.27 4.08 2.05 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 0.76 0.00 0.00 0.95 0.00 0.00 63 T 8.49 4.48 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 1.16 0.00 0.00 64 R 7.53 4.56 0.00 1.84 1.68 0.00 3.17 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 65 R 8.59 4.79 0.00 1.71 1.84 0.00 3.40 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 66 L 8.96 4.46 0.00 1.73 1.84 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.19 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 68 T 8.46 4.78 4.25 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 1.30 0.00 0.00 69 V 8.92 4.52 2.12 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 0.72 0.00 0.00 0.80 0.00 0.00 70 L 8.49 4.97 0.00 1.61 1.56 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.45 4.39 1.73 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 0.67 0.47 0.74 0.00 0.00 72 R 8.48 4.54 0.00 1.83 1.83 0.00 3.11 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 73 G 9.42 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.09 4.28 0.00 2.64 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 75 N 8.04 4.65 0.00 2.78 2.80 0.00 0.00 6.86 7.43 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 76 I 7.64 4.36 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.42 0.87 0.00 0.00 77 V 8.79 4.26 2.05 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 0.87 0.00 0.00 0.91 0.00 0.00 78 Y 7.09 4.98 0.00 3.00 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 79 I 8.45 5.33 1.87 0.00 0.00 0.78 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 0.66 0.90 0.00 0.00 80 S 9.08 4.78 0.00 3.86 3.92 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 81 R 8.73 4.27 0.00 1.83 1.88 0.00 3.43 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 82 G 9.48 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 0.00 0.00 0.00 0.00 83 K 8.80 4.13 0.00 1.87 1.79 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.22 1.17 7.81