NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 N 4.6426 8.3829 119.2033 53.0828 40.1521 175.0578 53 K 3.7071 8.9121 131.3821 59.8422 31.6591 173.7323 54 K 4.2109 8.5290 119.8481 59.2282 32.2285 179.0014 55 V 3.6450 7.7298 118.2763 65.5734 31.4448 178.2064 56 V 3.5577 7.6745 117.5489 65.9485 31.3698 177.0452 57 D 4.4820 8.6812 117.7854 57.6045 41.0046 178.0253 58 A 4.0048 7.9317 120.9087 55.3661 18.1754 179.7307 59 Q 3.9729 8.6061 119.1879 59.8556 28.7357 179.7413 60 K 3.9740 8.8890 125.4229 59.5939 31.4900 180.9013 61 A 4.2270 8.4093 121.3666 55.3431 18.3858 179.9881 62 V 3.8044 8.2924 119.5415 66.5473 31.6327 178.7417 63 E 4.0812 8.6854 120.9967 61.8501 29.6086 182.2666 64 L 4.3130 7.7432 123.6749 59.1449 40.8126 180.9972 65 F 4.7657 8.0777 120.9443 61.3540 39.1167 177.4658 66 K 3.6724 8.1297 119.7923 59.8257 31.8617 179.9946 67 R 4.0957 7.5726 119.3489 61.7329 29.6468 180.7268 68 T 4.1516 8.2276 115.8601 64.9984 69.9194 175.1358 69 R 3.8548 8.3682 118.6698 57.5013 27.9564 174.8559 70 T 5.0279 8.3509 108.5816 59.1533 73.9173 175.1004 71 V 3.5908 8.3707 120.3334 65.9147 31.5430 178.1347 72 A 3.9134 7.9122 120.5016 55.3888 18.4146 179.4688 73 T 3.8145 8.1033 108.2044 65.1699 68.5651 175.9979 74 H 2.6002 8.0991 121.0270 58.6255 29.9436 177.4159 75 R 3.6344 7.4824 119.4279 59.0760 29.8731 179.0203 76 K 3.8881 7.8557 119.0289 59.2847 32.2141 178.8523 77 A 3.9373 8.0199 121.3950 55.1087 18.2477 179.4202 78 Q 3.8499 8.1918 118.5789 59.2404 29.0545 178.4606 79 R 3.7976 7.8377 119.1607 59.1013 29.8886 178.0783 80 A 3.9319 7.6086 119.6046 55.3471 18.7633 179.3337 81 V 3.6744 7.6441 116.2685 66.4201 31.3695 177.9750 82 N 4.3756 8.1556 114.9543 56.3264 38.4113 177.1046 83 L 4.2887 8.0411 119.9585 56.4954 41.7411 177.1095 84 I 3.7333 7.1822 118.5573 61.8163 36.3843 175.7597 85 H 4.3882 8.5493 123.3455 57.4299 28.9205 175.7739 86 F 4.2905 8.1461 122.4297 57.3010 38.7975 175.7353 87 Q 4.1544 8.5291 128.5798 59.1399 28.7475 177.1595 88 H 4.8158 8.3262 112.0287 55.9498 29.0148 175.3713 89 S 4.0514 7.9947 114.8381 58.6429 62.8996 174.2692 90 Y 3.9724 8.5024 126.5894 59.9536 38.9678 177.2124 91 E 4.1011 8.1394 118.4509 57.9701 29.5798 178.8539 92 K 3.9416 7.6237 121.8011 60.1227 32.4257 179.5974 93 K 3.9382 7.3715 123.6632 59.3157 31.4335 181.0087 94 K 3.9581 7.8739 123.1518 60.1307 31.9766 179.7481 95 L 4.0485 7.7330 122.1302 59.2827 40.7278 180.7806 96 Q 4.2819 8.1028 118.7968 59.0950 28.8840 178.1869 97 R 3.8354 7.8393 120.0975 59.5225 30.0310 178.4353 98 Q 4.0015 7.8478 117.9239 59.0808 28.6970 178.7479 99 I 3.9578 7.4961 119.3808 64.8003 37.3647 178.0002 100 D 4.4110 8.2230 119.4171 57.6792 40.8474 179.2275 101 L 3.9230 8.1450 119.3421 57.3496 41.4549 179.6041 102 V 3.6671 7.5267 118.5184 65.6511 31.2232 178.0728 103 L 4.0903 7.7912 120.2651 58.3395 41.4990 180.0137 104 K 4.0327 7.6377 122.4619 59.0455 31.6921 180.0957 105 Y 5.1610 6.9906 113.0964 56.9081 38.5021 174.8916 106 N 5.0693 7.4845 116.4199 51.7561 42.6505 174.3760 107 T 4.3990 8.1377 115.9926 61.4247 69.3595 174.1628 108 L 4.2473 8.4552 128.8685 55.6957 42.4334 178.6455 109 K 4.2760 8.2197 120.3256 55.3825 32.1831 173.7253 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 52 N 8.38 4.64 0.00 2.81 2.76 0.00 0.00 7.16 5.12 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 53 K 8.91 3.71 0.00 1.88 1.83 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.16 7.81 54 K 8.53 4.21 0.00 1.94 1.89 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.51 7.81 55 V 7.73 3.64 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 1.02 0.00 0.00 0.91 0.00 0.00 56 V 7.67 3.56 2.22 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 0.98 0.00 0.00 0.97 0.00 0.00 57 D 8.68 4.48 0.00 2.82 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 58 A 7.93 4.00 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 0.00 0.00 59 Q 8.61 3.97 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 60 K 8.89 3.97 0.00 1.69 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.33 7.81 61 A 8.41 4.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 3.80 2.13 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 1.05 0.00 0.00 1.02 0.00 0.00 63 E 8.69 4.08 0.00 2.00 1.94 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 2.24 2.20 0.00 64 L 7.74 4.31 0.00 1.62 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.08 4.77 0.00 2.96 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 3.67 0.00 1.90 1.77 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.54 7.81 67 R 7.57 4.10 0.00 1.93 1.83 0.00 3.27 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 68 T 8.23 4.15 4.38 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 1.27 0.00 0.00 69 R 8.37 3.85 0.00 1.99 1.91 0.00 3.11 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.68 0.00 70 T 8.35 5.03 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 1.33 0.00 0.00 71 V 8.37 3.59 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 1.04 0.00 0.00 0.96 0.00 0.00 72 A 7.91 3.91 1.32 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 0.00 0.00 73 T 8.10 3.81 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 74 H 8.10 2.60 0.00 2.37 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.48 3.63 0.00 1.92 1.85 0.00 3.13 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 76 K 7.86 3.89 0.00 1.80 1.88 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 77 A 8.02 3.94 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 78 Q 8.19 3.85 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 79 R 7.84 3.80 0.00 2.00 1.85 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 80 A 7.61 3.93 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 V 7.64 3.67 2.22 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 1.09 0.00 0.00 0.93 0.00 0.00 82 N 8.16 4.38 0.00 2.84 2.87 0.00 0.00 7.12 8.25 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 83 L 8.04 4.29 0.00 1.70 1.66 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.18 3.73 1.98 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 1.38 0.72 1.01 0.00 0.00 85 H 8.55 4.39 0.00 3.19 3.31 0.00 5.69 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 86 F 8.15 4.29 0.00 3.17 2.88 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 0.00 0.00 0.00 87 Q 8.53 4.15 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 88 H 8.33 4.82 0.00 3.68 3.51 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.99 4.05 0.00 3.72 3.89 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 90 Y 8.50 3.97 0.00 3.09 2.96 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 91 E 8.14 4.10 0.00 2.01 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 2.44 2.31 0.00 92 K 7.62 3.94 0.00 1.92 1.98 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.49 7.81 93 K 7.37 3.94 0.00 1.81 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.31 7.81 94 K 7.87 3.96 0.00 1.55 1.74 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.41 1.42 7.81 95 L 7.73 4.05 0.00 1.73 1.67 0.92 0.68 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 96 Q 8.10 4.28 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 97 R 7.84 3.84 0.00 2.06 2.03 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 98 Q 7.85 4.00 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 99 I 7.50 3.96 2.17 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.32 1.08 0.00 0.00 100 D 8.22 4.41 0.00 2.90 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 0.00 101 L 8.15 3.92 0.00 1.83 1.73 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.53 3.67 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 0.53 0.00 0.00 0.69 0.00 0.00 103 L 7.79 4.09 0.00 1.80 1.68 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.64 4.03 0.00 1.90 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.35 7.81 105 Y 6.99 5.16 0.00 3.03 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 0.00 106 N 7.48 5.07 0.00 2.80 2.66 0.00 0.00 6.69 8.89 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 0.00 107 T 8.14 4.40 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 1.23 0.00 0.00 108 L 8.46 4.25 0.00 1.71 1.71 1.14 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.22 4.28 0.00 1.89 1.67 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.24 7.81