NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 R 4.2476 8.2544 119.6913 55.5863 31.5362 174.9969 56 K 3.8647 8.4885 123.2469 55.9757 32.7604 175.2352 57 R 4.4838 9.1115 124.9472 54.7358 31.3311 174.7431 58 N 4.6231 8.4880 120.6186 54.5597 39.4591 176.5372 59 R 3.9881 7.8943 117.7760 56.1177 30.6972 175.8053 60 I 4.3797 8.0199 124.8298 58.6429 38.0788 173.5127 61 P 4.2616 0.0000 0.0000 63.2618 31.6347 176.7895 62 L 4.3297 8.5428 121.1780 56.1009 42.3828 177.5019 63 G 4.0477 7.8667 106.9532 44.4866 0.0000 173.3922 64 C 4.0255 8.1507 114.9378 57.2481 31.8704 174.5999 65 T 3.7737 7.8764 113.0723 65.2587 68.0909 176.5398 66 I 3.6227 7.4933 122.2951 64.2089 37.2385 177.9068 67 C 4.0927 8.0797 116.8669 62.9247 27.9520 176.5131 68 R 3.8695 7.8169 119.0042 59.3228 29.5149 179.2484 69 K 4.0180 7.8195 116.7339 59.4411 32.1679 179.1579 70 R 4.0584 8.5456 116.2379 55.9430 30.8587 176.3124 71 K 3.8636 7.7834 117.1116 57.6491 29.9517 175.1257 72 V 4.5400 7.5917 109.3468 58.7941 35.8684 176.2110 73 K 3.9184 8.5950 122.9834 56.8378 32.7422 175.5572 74 C 4.6325 8.5219 126.3173 57.4964 32.3515 173.7830 75 D 4.5785 8.3475 127.3647 53.9559 39.2152 176.5683 76 K 4.8655 7.4113 116.3449 56.5814 32.1110 175.2242 77 L 4.3323 7.4716 117.6175 55.6656 42.4331 176.9323 78 R 4.9216 8.0150 119.1802 53.6452 33.5520 174.2281 79 P 4.4115 0.0000 0.0000 65.3898 31.4918 176.6241 80 H 5.1588 7.7170 112.3973 53.4528 32.1371 173.8326 81 C 4.6341 8.3535 117.0002 58.0581 31.9058 174.8524 82 Q 4.0364 9.3031 121.5766 58.9422 28.2601 178.8246 83 Q 3.9740 8.2633 120.8024 59.7600 29.0097 178.7318 84 C 4.1779 7.9841 116.8511 62.9544 28.3666 175.9656 85 T 3.8660 7.9485 117.4601 66.3561 67.7812 176.4643 86 K 3.9494 8.5298 121.1590 59.7089 32.4048 178.2757 87 T 4.3139 7.4538 105.8288 61.6821 68.8467 175.2040 88 G 3.9477 7.7172 108.6582 46.3667 0.0000 174.5520 89 V 4.3920 7.7504 112.1257 60.5373 32.4095 177.9205 90 A 4.0746 8.2375 126.1517 55.5969 18.1886 179.8715 91 H 4.4277 8.2165 108.4226 56.8615 28.7370 175.6035 92 L 4.4482 7.8242 119.2288 54.5007 42.7569 175.6932 93 C 4.4085 7.6936 121.0965 59.2003 32.0305 172.3493 94 H 4.8588 8.2342 119.7199 54.9167 31.5253 171.9253 95 Y 4.9799 8.5322 117.2042 56.4880 40.6115 175.3515 96 M 4.6205 8.7156 121.8381 55.4072 32.8614 175.9545 97 E 4.5494 8.7620 120.8182 55.9574 32.0285 174.8861 98 Q 4.7710 7.7973 115.7805 53.6352 32.2760 175.0694 99 T 4.4112 8.6020 109.3172 60.6934 71.1655 175.2421 100 W 4.2747 8.9106 131.0186 61.0046 30.5336 177.9503 101 A 3.1521 8.2778 119.7053 55.0176 17.9397 179.3304 102 E 3.8551 7.7799 115.7361 59.3462 29.5390 179.1838 103 E 3.8391 8.3915 119.6010 58.9542 29.6603 178.7478 104 A 3.6397 7.5076 120.9588 54.8944 18.3744 178.9316 105 E 3.6869 7.7134 117.7941 59.4101 29.6899 178.6417 106 K 3.7598 7.8894 119.3684 59.9540 32.1130 178.3633 107 E 3.9586 8.0163 118.2870 59.3400 29.3711 179.3692 108 L 3.9622 7.7650 119.0665 57.6883 41.5761 179.6109 109 L 3.9516 8.0150 118.9666 57.7225 41.5163 179.5156 110 K 3.9290 8.1343 119.5322 59.3832 32.0767 178.7263 111 D 4.3014 8.2698 119.5261 57.2696 40.7660 178.1929 112 N 4.3072 8.0684 117.4998 56.4602 38.9643 176.5003 113 E 3.8705 8.3634 120.8833 59.2301 29.8148 178.3185 114 L 3.9161 8.1163 120.6430 58.1964 41.9678 178.8559 115 K 3.9234 8.5315 119.6603 59.6165 32.1262 178.9665 116 K 4.0852 8.2520 118.7458 59.1741 31.8298 179.1911 117 L 3.9681 8.0181 120.9164 58.1181 41.9958 179.2214 118 R 3.9271 7.9157 117.9808 58.8962 29.9515 178.8395 119 E 3.8937 7.9319 117.6634 59.4408 29.5736 178.9916 120 R 3.8128 8.0277 120.3504 58.9343 30.1616 178.2820 121 V 3.5635 7.9283 117.9317 66.1243 31.3834 177.8497 122 K 3.8574 7.9345 117.9386 59.6530 31.8875 179.0214 123 S 4.0759 7.9645 113.0303 61.4460 62.3180 176.3019 124 L 3.9720 8.0678 121.5419 57.9007 41.1830 179.2542 125 E 3.9651 8.4049 117.5724 59.4515 29.4914 179.2073 126 K 4.0739 8.2050 118.7370 59.6008 32.2622 178.6101 127 T 4.1292 7.4727 115.0251 65.4317 69.5518 175.8477 128 L 4.4645 7.9391 122.5032 52.3212 39.4948 176.0569 129 S 5.1985 7.2805 117.1229 58.4986 64.6274 176.1546 130 K 4.1081 7.8026 128.5542 57.7477 31.9701 175.8995 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 55 R 8.25 4.25 0.00 1.74 1.88 0.00 3.14 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 56 K 8.49 3.86 0.00 1.80 1.71 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.59 7.81 57 R 9.11 4.48 0.00 1.91 1.88 0.00 3.32 0.00 0.00 3.01 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.23 0.00 58 N 8.49 4.62 0.00 2.73 2.89 0.00 0.00 7.12 7.66 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 59 R 7.89 3.99 0.00 1.79 1.85 0.00 3.19 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 60 I 8.02 4.38 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 0.96 0.00 0.00 61 P 0.00 4.26 0.00 2.08 2.06 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 62 L 8.54 4.33 0.00 1.67 1.74 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.87 4.05 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 0.00 0.00 0.00 64 C 8.15 4.03 0.00 2.65 2.14 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 65 T 7.88 3.77 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 1.05 0.00 0.00 66 I 7.49 3.62 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.61 0.87 0.00 0.00 67 C 8.08 4.09 0.00 3.05 3.12 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 0.00 0.00 0.00 0.00 68 R 7.82 3.87 0.00 2.17 1.97 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 69 K 7.82 4.02 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 70 R 8.55 4.06 0.00 1.72 1.97 0.00 3.30 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 71 K 7.78 3.86 0.00 1.93 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.59 7.81 72 V 7.59 4.54 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 0.74 0.00 0.00 0.93 0.00 0.00 73 K 8.60 3.92 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.51 7.81 74 C 8.52 4.63 0.00 3.00 2.83 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 0.00 0.00 0.00 75 D 8.35 4.58 0.00 3.02 2.93 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 76 K 7.41 4.87 0.00 2.07 2.15 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.36 7.81 77 L 7.47 4.33 0.00 1.89 1.67 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.02 4.92 0.00 1.69 1.77 0.00 3.02 0.00 0.00 2.96 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.38 0.00 79 P 0.00 4.41 0.00 1.71 1.99 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 80 H 7.72 5.16 0.00 3.14 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.35 4.63 0.00 3.41 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 82 Q 9.30 4.04 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 83 Q 8.26 3.97 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 84 C 7.98 4.18 0.00 2.99 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 85 T 7.95 3.87 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 1.23 0.00 0.00 86 K 8.53 3.95 0.00 1.78 2.05 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.46 7.81 87 T 7.45 4.31 4.24 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 1.21 0.00 0.00 88 G 7.72 3.95 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 0.00 0.00 0.00 89 V 7.75 4.39 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 0.70 0.00 0.00 0.95 0.00 0.00 90 A 8.24 4.07 1.26 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 91 H 8.22 4.43 0.00 3.27 3.40 0.00 5.48 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.82 4.45 0.00 1.55 1.61 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.69 4.41 0.00 2.94 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 94 H 8.23 4.86 0.00 3.22 3.33 0.00 5.48 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.53 4.98 0.00 3.00 2.91 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 96 M 8.72 4.62 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.73 0.00 97 E 8.76 4.55 0.00 1.92 1.93 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 2.19 2.31 0.00 98 Q 7.80 4.77 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 99 T 8.60 4.41 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 100 W 8.91 4.27 0.00 3.45 3.34 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 0.00 101 A 8.28 3.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.78 3.86 0.00 2.04 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 2.31 2.31 0.00 103 E 8.39 3.84 0.00 2.11 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 2.27 2.29 0.00 104 A 7.51 3.64 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.71 3.69 0.00 2.09 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 0.00 2.26 2.32 0.00 106 K 7.89 3.76 0.00 1.98 1.90 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 107 E 8.02 3.96 0.00 2.13 1.93 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 2.27 2.44 0.00 108 L 7.76 3.96 0.00 1.99 1.67 0.88 0.59 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 0.00 109 L 8.02 3.95 0.00 1.87 1.69 0.95 0.79 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 0.00 110 K 8.13 3.93 0.00 1.81 1.92 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 111 D 8.27 4.30 0.00 2.91 2.68 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 0.00 0.00 0.00 112 N 8.07 4.31 0.00 2.96 2.93 0.00 0.00 6.89 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.36 3.87 0.00 2.11 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 0.00 2.30 2.31 0.00 114 L 8.12 3.92 0.00 1.92 1.83 0.91 0.43 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 0.00 115 K 8.53 3.92 0.00 1.84 1.99 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.62 7.81 116 K 8.25 4.09 0.00 1.84 1.96 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.71 7.81 117 L 8.02 3.97 0.00 1.94 1.78 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.92 3.93 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 119 E 7.93 3.89 0.00 2.14 2.36 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 2.29 2.31 0.00 120 R 8.03 3.81 0.00 2.02 2.14 0.00 3.16 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 121 V 7.93 3.56 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 0.88 0.00 0.00 0.95 0.00 0.00 122 K 7.93 3.86 0.00 2.20 1.86 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.51 7.81 123 S 7.96 4.08 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 0.00 124 L 8.07 3.97 0.00 1.86 1.69 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.40 3.97 0.00 2.09 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 0.00 2.35 2.32 0.00 126 K 8.20 4.07 0.00 1.92 1.97 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.62 7.81 127 T 7.47 4.13 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 1.21 0.00 0.00 128 L 7.94 4.46 0.00 1.79 1.65 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 129 S 7.28 5.20 0.00 4.08 4.08 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 0.00 130 K 7.80 4.11 0.00 1.92 1.72 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81