NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 82 L 4.3038 8.0433 120.6176 54.3823 43.2337 179.0894 83 K 3.6288 8.1304 120.5344 57.7508 32.0921 177.7478 84 N 4.4706 8.7888 115.0498 54.7043 38.7530 175.8458 85 L 4.0094 7.7267 120.3500 57.8349 41.8559 177.4209 86 V 4.0907 7.1266 117.1308 63.1324 31.5765 175.4804 87 L 4.5737 8.1963 126.6110 55.1055 42.9171 175.6976 88 D 4.5691 7.7779 116.8383 54.2273 44.4676 174.5328 89 I 5.1494 8.2342 121.3576 60.6792 41.6438 174.4462 90 D 4.4376 7.9152 121.7806 56.8703 45.7118 172.8543 91 Y 4.9343 7.3549 114.9078 58.3934 41.6144 170.7174 92 N 4.5989 7.8366 114.3992 53.3160 40.3423 175.8059 93 D 4.5790 8.8877 117.4097 55.3862 40.7944 176.2203 94 A 4.7347 8.4714 119.9902 52.7678 26.2771 176.8559 95 V 4.6307 7.9008 106.7489 59.9987 36.9510 174.3031 96 V 4.7257 8.9746 120.8506 61.3657 34.3531 174.7124 97 V 4.5263 8.4998 127.3092 61.4718 33.5466 174.0523 98 I 4.8683 8.2581 128.2938 60.4201 39.3538 174.8700 99 H 5.4660 9.0672 122.7101 54.5779 32.5394 173.1758 100 T 5.0236 8.6549 110.3718 60.5547 73.0285 172.9947 101 S 4.7236 8.6027 117.1120 57.1942 64.3486 172.7495 102 P 4.3115 0.0000 0.0000 64.5212 31.3832 177.5372 103 G 4.0244 8.8952 110.6083 45.2475 0.0000 174.7059 104 A 4.0661 7.9511 122.3741 54.6221 18.9859 179.4902 105 A 3.9816 8.1923 118.9386 55.8567 18.5625 179.6848 106 Q 4.1091 7.9973 113.2769 59.1298 29.0616 177.8731 107 L 4.0673 8.2240 120.7561 57.2208 41.7056 179.0763 108 I 3.7353 7.7955 118.5607 64.9655 37.1351 178.3545 109 A 4.1064 7.8339 119.4573 54.9822 18.4937 179.3252 110 R 4.1163 8.2037 117.8684 59.3497 30.0055 178.5142 111 L 4.0093 7.7712 119.8371 58.0812 42.1072 178.3317 112 L 4.2565 7.6979 115.8385 56.3158 41.6571 178.0880 113 D 4.5952 7.6713 118.1626 55.4421 41.0749 177.7204 114 S 4.2047 7.6944 114.3109 61.1717 62.7306 175.2062 115 L 3.5064 7.3473 118.3235 55.3676 41.9156 178.9834 116 G 3.9668 7.9864 101.7621 44.6345 0.0000 173.8738 117 K 4.4808 8.9155 116.4323 58.8227 31.9598 179.2901 118 A 4.3369 7.9652 119.1734 54.1209 18.3501 177.4128 119 E 4.3198 7.9374 114.6673 55.7567 30.2125 175.7501 120 G 2.2803 8.1334 112.7566 45.4156 0.0000 174.8286 121 I 4.0148 7.3871 120.8842 61.5665 37.5037 176.3873 122 L 4.0787 8.8930 127.1478 56.7509 42.3879 175.8848 123 G 4.1170 7.4102 103.2797 46.4866 0.0000 172.4230 124 T 5.1663 8.3829 115.4342 62.3060 72.5603 173.8173 125 I 4.8351 8.7084 125.3771 59.6039 41.5292 174.5998 126 A 5.1586 8.4168 126.0481 50.9541 23.0769 175.1479 127 G 4.1783 8.3546 112.5579 45.6647 0.0000 175.6373 128 D 4.7197 8.7749 125.0075 55.2437 42.5813 176.2084 129 D 5.2760 7.7645 113.2453 53.3578 42.5235 174.7695 130 T 5.0530 7.8238 115.6912 62.3478 72.4964 173.0413 131 I 4.9357 8.6091 126.0787 59.8998 41.0429 175.0930 132 F 5.0547 9.1488 121.8656 56.7458 42.4482 173.8678 133 T 5.1230 8.7469 118.6249 60.6408 70.9508 172.9325 134 T 5.0062 8.1201 119.9010 61.1363 73.0331 172.0596 135 P 4.7437 0.0000 0.0000 62.8853 32.6968 175.7740 136 A 4.5612 9.3173 124.9769 50.2556 21.5227 176.0227 137 N 4.0379 8.7420 115.9858 56.4050 38.5579 176.0063 138 G 3.8481 10.4224 113.5974 45.0608 0.0000 172.6162 139 F 4.6923 7.4336 113.5051 55.3923 43.6631 174.8742 140 T 4.5863 8.3017 120.8538 61.6960 71.6032 176.3784 141 V 3.4468 8.0829 123.6886 65.9931 31.5174 178.4955 142 K 2.8826 7.4136 117.8017 59.8298 32.2486 178.1604 143 D 4.3779 8.0229 119.8451 57.1488 40.7819 178.4606 144 L 3.8806 8.1048 120.6192 58.5256 41.8573 178.4299 145 Y 4.1518 8.3802 119.6412 60.6566 38.4733 178.0436 146 E 3.8467 8.3908 118.9529 59.1338 29.9079 178.5967 147 A 4.0972 8.3883 121.1066 55.3660 18.3393 179.7285 148 I 3.3646 7.9115 118.5112 64.4449 36.9119 178.6922 149 L 3.9945 7.1287 118.1938 57.1637 41.3345 179.1184 150 E 4.0833 7.9141 119.3823 58.4527 30.3388 178.0460 151 L 4.6834 7.4092 117.7518 55.0265 40.9189 176.4399 152 F 4.6070 7.8588 122.0339 59.0845 39.9824 174.9010 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 82 L 8.04 4.30 0.00 1.70 1.68 0.90 0.46 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 83 K 8.13 3.63 0.00 1.82 1.75 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 84 N 8.79 4.47 0.00 2.80 2.92 0.00 0.00 6.04 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 85 L 7.73 4.01 0.00 1.74 1.73 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.13 4.09 1.91 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 0.99 0.00 0.00 0.65 0.00 0.00 87 L 8.20 4.57 0.00 1.61 1.75 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.78 4.57 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 5.15 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.94 0.00 0.00 90 D 7.92 4.44 0.00 2.77 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.35 4.93 0.00 3.08 2.90 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 92 N 7.84 4.60 0.00 2.95 2.93 0.00 0.00 7.06 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 93 D 8.89 4.58 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 4.73 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 4.63 1.89 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 0.71 0.00 0.00 0.29 0.00 0.00 96 V 8.97 4.73 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.94 0.00 0.00 97 V 8.50 4.53 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 1.15 0.00 0.00 0.60 0.00 0.00 98 I 8.26 4.87 1.99 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 1.29 0.51 1.14 0.00 0.00 99 H 9.07 5.47 0.00 3.18 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.65 5.02 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 1.28 0.00 0.00 101 S 8.60 4.72 0.00 3.84 3.82 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 0.00 102 P 0.00 4.31 0.00 2.03 2.01 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 103 G 8.90 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 0.00 0.00 0.00 0.00 104 A 7.95 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 4.11 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 107 L 8.22 4.07 0.00 1.88 1.65 0.91 1.03 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 0.00 108 I 7.80 3.74 1.96 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 1.77 1.45 1.18 0.00 0.00 109 A 7.83 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.20 4.12 0.00 2.19 2.01 0.00 3.27 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 111 L 7.77 4.01 0.00 1.84 1.97 0.98 0.75 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 0.00 112 L 7.70 4.26 0.00 1.70 1.67 0.89 0.73 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 0.00 113 D 7.67 4.60 0.00 2.90 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 0.00 114 S 7.69 4.20 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 3.51 0.00 1.59 1.64 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.99 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 0.00 117 K 8.92 4.48 0.00 1.83 1.91 0.00 1.96 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.41 7.81 118 A 7.97 4.34 1.30 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 0.00 0.00 119 E 7.94 4.32 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 120 G 8.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.39 4.01 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.42 0.93 0.00 0.00 122 L 8.89 4.08 0.00 1.58 1.67 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.41 4.12 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 0.00 0.00 0.00 124 T 8.38 5.17 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 1.24 0.00 0.00 125 I 8.71 4.84 1.92 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 1.18 1.26 0.86 0.00 0.00 126 A 8.42 5.16 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.35 4.18 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 0.00 0.00 0.00 128 D 8.77 4.72 0.00 2.79 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 0.00 129 D 7.76 5.28 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.82 5.05 4.18 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 1.31 0.00 0.00 131 I 8.61 4.94 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.17 1.02 0.00 0.00 132 F 9.15 5.05 0.00 2.79 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 0.00 133 T 8.75 5.12 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 1.18 0.00 0.00 134 T 8.12 5.01 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 1.26 0.00 0.00 135 P 0.00 4.74 0.00 2.30 2.02 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 136 A 9.32 4.56 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 0.00 137 N 8.74 4.04 0.00 2.76 2.85 0.00 0.00 7.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 10.42 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 7.43 4.69 0.00 3.29 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.30 4.59 4.45 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 1.13 0.00 0.00 141 V 8.08 3.45 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 142 K 7.41 2.88 0.00 1.87 1.58 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.49 7.81 143 D 8.02 4.38 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.10 3.88 0.00 1.85 1.72 0.71 1.09 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 0.00 145 Y 8.38 4.15 0.00 3.13 3.08 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 0.00 146 E 8.39 3.85 0.00 2.21 2.01 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 2.48 2.70 0.00 147 A 8.39 4.10 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 0.00 148 I 7.91 3.36 1.51 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.32 -0.11 0.00 0.00 149 L 7.13 3.99 0.00 1.58 1.63 0.58 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.91 4.08 0.00 2.01 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 2.31 2.35 0.00 151 L 7.41 4.68 0.00 1.78 1.72 0.94 1.17 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 0.00 152 F 7.86 4.61 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00