NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 80 E 4.3143 8.4444 118.7877 56.5421 30.8534 173.8344 81 K 4.2847 8.3004 118.4468 55.4737 35.0885 174.4711 82 I 4.3935 9.0213 128.1511 60.1713 39.5635 174.7683 83 S 4.7543 8.2231 118.6906 57.1011 67.1265 173.1238 84 M 4.6721 8.3227 121.5517 53.9736 34.3152 175.1158 85 L 4.7708 8.3883 121.3813 53.8099 43.1853 175.7843 86 E 4.5655 8.5836 121.7508 57.3540 31.5431 175.6968 87 K 4.6461 7.7188 116.2068 55.3306 37.2448 174.9964 88 I 5.0413 7.7481 121.2168 59.9850 40.7734 174.5419 89 Y 4.7495 9.5912 124.5051 56.1731 41.1868 174.5198 90 I 4.8870 8.3652 124.3676 59.1933 40.1344 174.8904 91 H 3.8230 9.0074 126.4795 56.4692 29.9944 173.8791 92 P 4.3193 0.0000 0.0000 65.5382 31.2988 177.2517 93 R 4.6821 8.1650 114.5084 55.7314 30.5452 175.6328 94 Y 4.8145 7.8524 118.7603 58.6035 39.5415 176.0317 95 N 4.6430 8.9036 123.6979 51.3962 38.4715 174.6764 96 W 3.8019 6.7431 117.2680 57.2684 29.4568 178.8141 97 R 2.7090 6.3487 118.9152 58.2621 29.1230 176.1407 97A E 4.1273 7.0526 116.6983 56.9138 30.9045 176.2206 98 N 4.8879 7.5311 116.2775 54.2288 37.6280 174.3584 99 L 3.8410 7.8958 111.7704 56.3839 40.6523 175.3855 100 D 4.4829 7.8411 117.9965 54.9385 42.7053 175.4545 101 R 3.8747 8.5124 123.1656 57.5399 26.8523 178.5507 102 D 4.5034 7.7338 117.0320 52.9125 40.1266 173.4679 103 I 4.5721 7.1905 121.2657 59.2524 41.8478 172.5032 104 A 5.2214 8.4960 129.5804 50.4496 22.4844 174.8619 105 L 4.6586 9.5144 121.9440 53.3898 44.5398 175.7895 106 M 5.0650 8.5561 123.2197 52.7232 33.0843 173.6906 107 K 3.9863 8.4547 121.2225 56.4219 33.3374 176.0548 108 L 4.4063 8.5324 127.5403 54.9061 42.0644 177.6897 109 K 4.1257 8.5331 122.7271 58.9257 32.7077 177.3680 110 K 4.3985 7.7486 120.0069 53.5316 34.3441 173.5386 111 P 4.1498 0.0000 0.0000 62.9271 31.5020 176.8508 112 V 3.7828 8.2582 122.4500 61.2560 32.2944 175.0152 113 A 4.4102 8.0679 123.3293 49.9393 20.4285 176.9585 114 F 4.9188 8.0705 122.4686 58.1333 39.8279 175.0475 115 S 4.6302 8.8275 116.7790 58.0124 65.3861 174.5697 116 D 4.6169 8.7185 120.5877 55.5039 40.1077 176.6980 117 Y 4.8233 8.0861 113.4363 57.8510 41.0525 174.8872 118 I 4.6435 7.6631 122.0192 60.0832 40.7387 173.8646 119 H 3.6551 8.4906 120.4347 54.5020 32.2957 171.9077 120 P 4.3103 0.0000 0.0000 62.6985 31.6430 175.1071 121 V 4.5286 7.7780 117.2047 60.1795 34.3310 174.5976 122 C 4.6105 8.3768 117.8227 58.4302 29.6167 173.3754 123 L 4.6420 8.1676 122.8114 52.5335 43.1752 174.7369 124 P 4.6558 0.0000 0.0000 61.9240 33.0768 174.5671 125 D 4.9895 8.0178 117.7982 51.0385 43.2836 176.6572 126 R 3.8884 8.4674 118.8105 59.9423 29.6826 178.1446 127 E 4.0083 8.0881 117.6236 59.7479 29.4490 179.3026 128 T 3.9331 7.8938 115.0803 66.1179 68.4370 176.7399 129 A 4.0004 7.8844 122.4801 55.1398 18.3453 179.2839 129A A 3.9469 7.7419 118.1450 55.5083 18.5029 179.6142 129B S 4.3642 7.8151 111.0885 60.2526 63.4619 175.2152 129C L 4.5835 7.2793 121.3638 56.4104 42.5790 177.6619 130 L 4.4305 7.8247 119.6947 54.7343 39.1513 176.0106 131 Q 4.3243 7.9114 119.3149 53.7124 32.9258 173.8648 132 A 4.0155 8.1996 123.5110 54.4310 18.3874 178.2636 133 G 3.9574 8.9326 112.1123 45.5320 0.0000 172.7495 134 Y 4.5562 7.8712 118.3648 57.3814 37.9184 175.6786 135 K 4.2050 8.7936 125.5729 56.1046 32.9026 176.7957 136 G 4.2202 8.4925 111.6404 43.6000 0.0000 172.1562 137 R 4.5906 8.3179 120.2957 54.0119 32.2283 175.4342 138 V 4.4988 8.2049 123.6059 61.1312 34.2458 174.6505 139 T 4.5769 8.4004 115.2650 59.4608 71.7267 173.6299 140 G 3.8869 7.2230 109.4068 46.2751 0.0000 172.5577 141 W 4.6610 8.7961 118.1658 55.9916 30.1658 176.2300 142 G 3.9785 8.3599 113.1931 46.1147 0.0000 173.5589 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 80 E 8.44 4.31 0.00 2.08 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 0.00 2.14 2.28 0.00 81 K 8.30 4.28 0.00 1.79 1.70 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.53 7.81 82 I 9.02 4.39 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.89 0.00 0.00 83 S 8.22 4.75 0.00 3.80 3.71 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 84 M 8.32 4.67 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 85 L 8.39 4.77 0.00 1.52 1.59 0.92 0.87 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 86 E 8.58 4.57 0.00 2.14 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 2.23 2.27 0.00 87 K 7.72 4.65 0.00 1.87 1.33 0.00 1.70 0.00 0.00 1.27 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.47 7.81 88 I 7.75 5.04 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.85 0.00 0.00 89 Y 9.59 4.75 0.00 2.81 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 90 I 8.37 4.89 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.86 0.00 0.00 91 H 9.01 3.82 0.00 3.33 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.32 0.00 2.11 2.15 0.00 3.04 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 93 R 8.16 4.68 0.00 1.88 1.98 0.00 3.37 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 94 Y 7.85 4.81 0.00 2.89 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 95 N 8.90 4.64 0.00 2.69 2.58 0.00 0.00 7.04 8.26 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 96 W 6.74 3.80 0.00 3.28 1.74 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 97 R 6.35 2.71 0.00 0.67 1.26 0.00 2.92 0.00 0.00 2.89 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 97A E 7.05 4.13 0.00 1.84 1.79 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 2.13 2.12 0.00 98 N 7.53 4.89 0.00 2.80 2.75 0.00 0.00 6.27 7.79 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 99 L 7.90 3.84 0.00 1.83 1.96 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 100 D 7.84 4.48 0.00 2.87 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 3.87 0.00 2.05 1.86 0.00 3.16 0.00 0.00 2.83 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 102 D 7.73 4.50 0.00 2.94 2.64 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 0.00 103 I 7.19 4.57 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.24 0.99 0.00 0.00 104 A 8.50 5.22 1.17 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 0.00 0.00 0.00 105 L 9.51 4.66 0.00 1.58 1.55 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 106 M 8.56 5.06 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 107 K 8.45 3.99 0.00 1.96 1.93 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.48 7.81 108 L 8.53 4.41 0.00 1.59 1.61 0.95 1.01 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 0.00 109 K 8.53 4.13 0.00 1.96 1.83 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.43 7.81 110 K 7.75 4.40 0.00 1.68 1.62 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.42 7.81 111 P 0.00 4.15 0.00 1.99 1.96 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 112 V 8.26 3.78 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 0.78 0.00 0.00 1.00 0.00 0.00 113 A 8.07 4.41 1.20 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 0.00 0.00 114 F 8.07 4.92 0.00 3.05 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 0.00 115 S 8.83 4.63 0.00 4.10 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 0.00 116 D 8.72 4.62 0.00 2.06 2.15 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 0.00 117 Y 8.09 4.82 0.00 2.92 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 0.00 118 I 7.66 4.64 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 1.29 0.00 0.00 119 H 8.49 3.66 0.00 2.89 2.99 0.00 5.95 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 1.94 1.91 0.00 2.47 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 121 V 7.78 4.53 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 0.76 0.00 0.00 0.92 0.00 0.00 122 C 8.38 4.61 0.00 2.96 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 0.00 123 L 8.17 4.64 0.00 1.62 1.57 0.92 1.03 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 0.00 124 P 0.00 4.66 0.00 2.18 2.07 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 125 D 8.02 4.99 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 0.00 126 R 8.47 3.89 0.00 1.90 1.99 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 127 E 8.09 4.01 0.00 2.02 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 2.40 2.34 0.00 128 T 7.89 3.93 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 1.21 0.00 0.00 129 A 7.88 4.00 1.31 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 0.00 0.00 0.00 129A A 7.74 3.95 1.41 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 0.00 0.00 0.00 129B S 7.82 4.36 0.00 4.04 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 129C L 7.28 4.58 0.00 1.97 1.80 0.94 0.90 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 0.00 130 L 7.82 4.43 0.00 1.97 1.66 0.97 1.20 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 0.00 131 Q 7.91 4.32 0.00 1.60 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.02 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 132 A 8.20 4.02 1.15 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 0.00 0.00 133 G 8.93 3.96 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 0.00 0.00 0.00 134 Y 7.87 4.56 0.00 2.98 2.92 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 0.00 135 K 8.79 4.20 0.00 1.75 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.47 7.81 136 G 8.49 4.22 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 0.00 137 R 8.32 4.59 0.00 1.73 1.78 0.00 3.15 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 138 V 8.20 4.50 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 0.92 0.00 0.00 0.93 0.00 0.00 139 T 8.40 4.58 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 1.14 0.00 0.00 140 G 7.22 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 0.00 0.00 0.00 141 W 8.80 4.66 0.00 3.42 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 0.00 142 G 8.36 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00