NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 R 4.2390 8.3545 119.0667 56.3594 30.4306 178.9586 34 K 4.3227 8.3469 115.2125 52.5927 30.3081 173.3019 35 F 4.5616 8.9688 121.9226 56.1240 39.8076 175.2517 36 A 4.3435 8.1719 124.5321 51.0364 19.9687 177.6890 37 C 4.0764 7.9872 116.0977 57.2935 31.9393 175.0073 38 V 2.9202 8.0829 120.1699 66.1017 30.8084 177.6550 39 E 3.8019 7.8007 117.2819 59.7957 29.3568 179.0739 40 C 4.2389 7.8468 117.2836 62.3108 28.0232 176.3265 41 R 3.9563 8.1966 119.8100 59.2902 29.4430 178.9115 42 Q 4.1070 8.1152 118.5212 58.8570 29.1899 177.2820 43 Q 4.3065 8.3196 116.3062 54.4416 29.3826 175.5477 44 K 3.8392 7.4210 118.8746 57.4303 30.5195 174.7736 45 S 4.7520 7.8086 111.2760 55.8097 65.4014 173.3439 46 K 4.0191 8.5030 123.2326 56.7500 32.2406 175.5069 47 C 4.7080 8.5836 126.7332 57.7393 33.2905 172.6066 48 D 4.8866 8.4661 123.8051 52.7861 40.1937 177.1726 49 A 3.9308 8.1776 123.7722 56.2514 17.9584 179.6224 50 H 4.2399 8.4850 116.8117 59.4132 29.9790 176.7226 51 E 4.5284 7.6751 118.1542 59.5211 30.2253 182.6057 52 R 4.3537 8.1327 115.0144 58.0148 30.1185 177.6746 53 A 3.9024 7.9248 121.9066 52.2212 17.9169 175.6517 54 P 4.2810 0.0000 0.0000 66.3146 31.6696 177.5187 55 E 4.0856 7.6509 113.7808 54.7999 29.9313 179.1195 56 P 4.2910 0.0000 0.0000 61.6121 32.4108 176.4963 57 C 4.3720 8.5123 116.4959 58.2143 31.5813 174.4528 58 T 3.8088 8.7575 113.9334 65.6338 68.2320 175.9366 59 K 3.7500 8.1308 121.1792 59.4411 32.0845 178.7782 60 C 4.1398 8.0933 115.6467 62.5296 28.0070 176.2633 61 A 3.9476 7.9252 122.6158 54.8862 18.0182 179.2576 62 K 4.0917 8.3609 115.8456 58.1015 32.2809 177.0182 63 K 4.4146 7.1312 114.4903 55.8073 33.7914 175.4294 64 N 4.1894 8.5170 116.0742 54.3947 36.5410 174.8062 65 V 4.4199 7.9086 108.8369 58.4695 35.7645 174.5399 66 P 3.9542 0.0000 0.0000 63.5635 31.3492 175.7214 67 C 4.3385 8.4982 124.2939 58.5974 31.1114 172.2783 68 I 4.4426 7.9339 126.4594 59.6204 39.2925 174.6712 69 L 4.7220 7.9470 126.4487 53.8258 44.9102 177.5863 70 K 4.4155 8.4502 119.3471 54.6237 33.5252 176.7524 71 R 4.5428 9.4550 127.6421 59.2265 29.5519 176.8833 72 D 4.6354 8.3559 114.0353 55.9804 40.2750 181.5306 73 F 3.9652 7.8758 119.8555 58.4515 39.7906 174.7962 74 R 4.3394 6.8735 125.1514 53.5914 33.2011 175.3480 75 R 3.8958 8.3793 122.1248 57.0065 30.5845 175.4536 76 T 4.5251 9.0224 120.8438 62.2681 70.0490 175.6548 77 Y 4.0202 8.5554 124.8864 56.8243 36.8769 175.9146 78 K 3.7292 8.5398 122.6583 59.5039 32.3492 178.0002 79 R 3.8533 7.9660 117.4204 60.0498 30.0799 177.9536 80 A 3.9718 8.1979 119.6065 55.2587 18.4003 179.0016 81 R 3.8127 8.2268 116.1840 59.8793 30.0240 178.6344 82 N 4.3903 8.6287 118.4964 56.9854 38.6875 177.6977 83 E 4.0042 8.2476 119.4817 61.1763 29.5971 180.8366 84 A 4.1960 8.2997 121.6763 55.2873 18.4544 179.6885 85 I 3.6180 7.8979 118.1721 64.5272 37.0948 178.3264 86 E 4.0856 8.7669 122.8612 59.7971 29.4287 179.6090 87 K 3.9993 8.1686 123.6230 60.0287 31.8673 180.8940 88 R 4.0898 8.8095 120.7482 58.8371 29.7824 178.5535 89 F 4.2674 8.5035 120.9803 61.1729 39.5337 177.1926 90 K 3.5954 8.3409 118.4430 59.5216 31.9333 178.6369 91 E 3.9006 8.3374 119.6415 59.4082 29.3759 178.6714 92 L 3.8534 7.5937 119.6011 58.3204 42.1721 178.5704 93 T 3.6733 7.5949 115.8151 66.8114 68.2176 175.9115 94 R 3.8094 7.9793 118.9789 60.1495 30.2700 178.0389 95 T 3.9804 7.8551 115.0135 66.6635 68.1881 176.5793 96 L 3.9260 7.7775 119.7196 58.2409 41.8550 179.4491 97 T 4.0802 7.9043 114.1952 65.6384 69.4663 175.5712 98 N 4.7441 7.4099 118.5432 52.1058 36.3442 175.0115 99 L 4.1629 7.6525 123.0709 54.9288 42.8845 175.8649 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 33 R 8.35 4.24 0.00 1.85 1.57 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 34 K 8.35 4.32 0.00 1.84 1.66 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.06 7.81 35 F 8.97 4.56 0.00 3.15 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 36 A 8.17 4.34 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 37 C 7.99 4.08 0.00 3.20 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 38 V 8.08 2.92 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 -0.32 0.00 0.00 0.56 0.00 0.00 39 E 7.80 3.80 0.00 1.89 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 2.27 0.00 40 C 7.85 4.24 0.00 2.89 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 41 R 8.20 3.96 0.00 2.26 2.24 0.00 3.40 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 42 Q 8.12 4.11 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 43 Q 8.32 4.31 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.43 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 44 K 7.42 3.84 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.31 7.81 45 S 7.81 4.75 0.00 3.96 3.94 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 46 K 8.50 4.02 0.00 1.73 1.77 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 47 C 8.58 4.71 0.00 2.90 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 48 D 8.47 4.89 0.00 2.86 2.81 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 49 A 8.18 3.93 1.29 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 50 H 8.49 4.24 0.00 3.27 3.40 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.68 4.53 0.00 2.10 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 2.17 2.20 0.00 52 R 8.13 4.35 0.00 1.92 2.14 0.00 3.40 0.00 0.00 3.29 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 53 A 7.92 3.90 1.27 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 0.00 0.00 54 P 0.00 4.28 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 55 E 7.65 4.09 0.00 2.03 1.76 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 2.26 2.15 0.00 56 P 0.00 4.29 0.00 2.00 2.03 0.00 3.63 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 2.02 2.09 0.00 57 C 8.51 4.37 0.00 3.44 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 58 T 8.76 3.81 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 1.28 0.00 0.00 59 K 8.13 3.75 0.00 1.74 1.88 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.56 7.81 60 C 8.09 4.14 0.00 3.04 3.18 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 0.00 61 A 7.93 3.95 1.38 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 0.00 0.00 0.00 62 K 8.36 4.09 0.00 1.67 1.96 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 63 K 7.13 4.41 0.00 1.81 1.74 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.50 7.81 64 N 8.52 4.19 0.00 2.75 2.82 0.00 0.00 6.68 7.56 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 65 V 7.91 4.42 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 0.68 0.00 0.00 0.92 0.00 0.00 66 P 0.00 3.95 0.00 1.98 2.01 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 67 C 8.50 4.34 0.00 2.93 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 68 I 7.93 4.44 1.72 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 1.41 0.82 0.85 0.00 0.00 69 L 7.95 4.72 0.00 1.58 1.45 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.45 4.42 0.00 1.61 1.65 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.87 7.81 71 R 9.45 4.54 0.00 1.82 1.91 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 72 D 8.36 4.64 0.00 2.69 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 73 F 7.88 3.97 0.00 2.99 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 74 R 6.87 4.34 0.00 1.50 1.58 0.00 3.40 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 75 R 8.38 3.90 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.76 0.00 76 T 9.02 4.53 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 1.24 0.00 0.00 77 Y 8.56 4.02 0.00 3.08 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 78 K 8.54 3.73 0.00 1.75 1.82 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.45 7.81 79 R 7.97 3.85 0.00 1.90 2.02 0.00 3.22 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 80 A 8.20 3.97 1.38 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 0.00 0.00 0.00 81 R 8.23 3.81 0.00 1.95 2.27 0.00 3.12 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 82 N 8.63 4.39 0.00 2.93 2.85 0.00 0.00 7.08 7.96 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 83 E 8.25 4.00 0.00 1.99 1.98 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 2.25 2.22 0.00 84 A 8.30 4.20 1.38 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 0.00 0.00 0.00 85 I 7.90 3.62 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.94 0.88 0.00 0.00 86 E 8.77 4.09 0.00 2.04 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 2.39 2.42 0.00 87 K 8.17 4.00 0.00 1.81 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.32 7.81 88 R 8.81 4.09 0.00 2.01 2.03 0.00 3.10 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 89 F 8.50 4.27 0.00 3.23 3.33 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 90 K 8.34 3.60 0.00 1.94 1.80 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 91 E 8.34 3.90 0.00 2.06 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 2.29 2.32 0.00 92 L 7.59 3.85 0.00 1.83 1.84 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.59 3.67 4.02 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 1.05 0.00 0.00 94 R 7.98 3.81 0.00 1.74 2.10 0.00 3.24 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 95 T 7.86 3.98 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 1.19 0.00 0.00 96 L 7.78 3.93 0.00 1.77 1.70 0.90 0.75 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 97 T 7.90 4.08 4.36 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 1.19 0.00 0.00 98 N 7.41 4.74 0.00 2.89 2.77 0.00 0.00 6.76 9.16 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 99 L 7.65 4.16 0.00 1.57 1.48 0.94 0.91 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