NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 103 R 4.2897 8.2549 120.8614 55.1851 30.9368 175.2453 104 P 4.2011 0.0000 0.0000 62.1495 31.9298 175.0521 105 R 4.3045 8.3794 120.6285 56.2793 31.9833 175.5422 106 T 4.4116 7.7269 112.3134 60.5253 70.3521 172.7040 107 A 4.3824 8.1452 130.0950 50.8040 20.1816 176.7762 108 F 4.7480 8.5150 122.1056 56.1715 40.3857 176.7998 109 S 4.3868 8.9199 120.9349 58.2990 64.8163 175.7807 110 S 4.1663 8.5856 117.9263 61.6158 62.6872 176.2540 111 E 3.9317 8.1247 122.5519 58.9790 29.3953 178.7171 112 Q 3.8394 7.7761 118.0551 59.0426 28.8768 178.6217 113 L 3.5329 7.8464 119.6690 57.3648 41.5607 179.5783 114 A 3.9216 7.9890 120.7428 55.4009 18.4405 180.0135 115 R 3.8875 7.8132 116.4904 59.1744 29.9645 179.4474 116 L 3.7469 7.6652 118.9783 57.5945 41.4269 179.6794 117 K 4.2034 7.9785 118.4399 59.1765 31.4656 179.5400 118 R 3.9266 8.0601 119.3566 59.3542 30.1246 178.2398 119 E 4.2146 8.3541 119.2266 59.3242 29.5123 178.5547 120 F 4.7053 8.5673 121.2466 60.5569 39.4507 176.3077 121 N 4.5397 8.1892 116.1934 56.1081 38.7563 176.2518 122 E 4.3380 7.5584 119.7816 57.3220 30.2512 176.6839 123 N 4.8072 7.7291 117.1007 52.4579 42.0433 174.8532 124 R 3.4740 8.4337 123.8016 57.0945 30.4768 175.8273 125 Y 4.6874 8.0323 116.1296 55.7584 40.6597 174.5802 126 L 4.4912 8.1830 125.5446 53.1941 44.2757 176.7522 127 T 4.2797 8.0808 116.1785 60.8979 71.2769 175.3696 128 E 3.8901 8.5433 121.9330 59.5643 29.7384 178.9670 129 R 3.8925 7.8856 118.2419 59.4176 30.1497 178.3112 130 R 3.9230 7.8334 118.6408 59.2360 30.0790 178.4487 131 R 3.8446 8.1001 118.5983 59.0819 29.9723 178.6947 132 Q 4.0552 7.9158 117.7852 58.9427 28.7999 178.2196 133 Q 3.9952 7.9236 118.9547 59.2095 28.7719 179.2540 134 L 4.0064 8.1479 119.9413 57.7119 41.6358 179.4465 135 S 4.2697 7.9943 114.4775 60.9963 62.1061 176.3007 136 S 4.1561 7.9110 114.6320 61.2526 62.1754 175.6521 137 E 4.1285 8.0294 120.7757 58.7674 29.4092 178.3225 138 L 4.4522 8.2835 116.5555 53.5085 42.4981 176.5589 139 G 3.9337 8.1767 106.4440 46.8674 0.0000 173.5268 140 L 4.8299 7.7118 118.1347 51.8163 45.0133 176.2494 141 N 4.5054 8.5748 120.3755 53.5229 40.7752 175.7632 142 E 4.0067 8.9616 126.3868 59.8019 29.6295 179.6309 143 A 4.1764 8.4680 120.5081 54.9552 18.3732 179.8293 144 Q 4.1223 7.9940 116.5089 59.2483 29.0048 178.5309 145 I 3.8871 7.9778 120.9198 64.2377 37.1827 178.4195 146 K 4.0567 8.6283 120.9255 59.7973 32.0583 179.0240 147 I 3.9323 8.0363 120.0392 63.6893 36.8879 178.2759 148 W 4.0272 8.5528 129.5684 60.5649 30.5430 178.0483 149 F 3.9282 8.8180 117.5717 60.3489 38.3108 177.5007 150 A 4.0426 8.1610 120.2820 55.4091 18.2703 179.4793 151 N 4.1883 8.2193 115.0298 56.1229 38.5779 177.4820 152 K 3.2489 7.6127 121.1788 59.4747 31.7977 179.0410 153 R 4.0395 8.0773 118.0021 59.2342 29.7098 178.9779 154 A 4.0784 7.5674 119.4959 54.8311 18.6458 179.2824 155 K 4.0012 8.0225 118.3198 59.5005 32.0863 179.1445 156 I 3.8190 7.6003 118.9532 63.5282 37.0650 177.5403 157 K 4.3233 7.3281 116.0838 56.8182 32.1204 177.0343 158 K 4.1821 7.8973 124.6320 56.4917 32.7226 175.8345 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 103 R 8.25 4.29 0.00 1.78 1.94 0.00 3.29 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 104 P 0.00 4.20 0.00 2.14 1.95 0.00 3.72 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 2.01 2.16 0.00 105 R 8.38 4.30 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 106 T 7.73 4.41 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 107 A 8.15 4.38 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.51 4.75 0.00 3.01 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 0.00 109 S 8.92 4.39 0.00 4.07 4.01 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 0.00 110 S 8.59 4.17 0.00 4.07 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 0.00 111 E 8.12 3.93 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 2.36 2.33 0.00 112 Q 7.78 3.84 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 113 L 7.85 3.53 0.00 1.66 1.67 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.99 3.92 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 0.00 115 R 7.81 3.89 0.00 1.88 1.93 0.00 3.27 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 116 L 7.67 3.75 0.00 0.62 0.13 -0.75 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.98 4.20 0.00 1.99 1.92 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.67 7.81 118 R 8.06 3.93 0.00 2.00 2.05 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 119 E 8.35 4.21 0.00 2.45 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 2.46 2.53 0.00 120 F 8.57 4.71 0.00 3.03 3.20 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 0.00 121 N 8.19 4.54 0.00 3.01 3.05 0.00 0.00 7.20 7.60 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 0.00 122 E 7.56 4.34 0.00 2.32 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 2.53 2.48 0.00 123 N 7.73 4.81 0.00 2.74 2.66 0.00 0.00 7.27 7.41 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 0.00 124 R 8.43 3.47 0.00 1.33 1.32 0.00 2.98 0.00 0.00 2.95 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 125 Y 8.03 4.69 0.00 3.09 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 0.00 126 L 8.18 4.49 0.00 0.95 1.25 0.55 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.08 4.28 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 1.20 0.00 0.00 128 E 8.54 3.89 0.00 2.01 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 2.38 2.31 0.00 129 R 7.89 3.89 0.00 1.87 1.90 0.00 3.50 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 130 R 7.83 3.92 0.00 1.89 1.86 0.00 3.29 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 131 R 8.10 3.84 0.00 1.95 2.01 0.00 3.38 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 132 Q 7.92 4.06 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.54 0.00 0.00 0.00 0.00 0.00 2.83 2.70 0.00 133 Q 7.92 4.00 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 134 L 8.15 4.01 0.00 1.68 1.72 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.99 4.27 0.00 3.94 4.13 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 0.00 0.00 0.00 0.00 136 S 7.91 4.16 0.00 3.93 4.03 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 0.00 137 E 8.03 4.13 0.00 2.13 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 2.34 2.46 0.00 138 L 8.28 4.45 0.00 1.61 1.69 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.18 3.93 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 0.00 0.00 0.00 140 L 7.71 4.83 0.00 1.74 1.62 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.57 4.51 0.00 2.78 2.73 0.00 0.00 7.15 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 0.00 142 E 8.96 4.01 0.00 2.08 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 0.00 2.42 2.41 0.00 143 A 8.47 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 4.12 0.00 2.46 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 145 I 7.98 3.89 2.09 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 1.43 0.82 1.05 0.00 0.00 146 K 8.63 4.06 0.00 1.98 2.03 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.54 7.81 147 I 8.04 3.93 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.76 0.99 0.00 0.00 148 W 8.55 4.03 0.00 3.50 3.37 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 0.00 149 F 8.82 3.93 0.00 3.43 3.20 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 0.00 150 A 8.16 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.22 4.19 0.00 2.65 2.69 0.00 0.00 6.72 6.74 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 0.00 152 K 7.61 3.25 0.00 0.95 0.76 0.00 0.61 0.00 0.00 0.79 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 153 R 8.08 4.04 0.00 2.04 1.94 0.00 2.58 0.00 0.00 2.54 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.95 0.00 154 A 7.57 4.08 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 0.00 155 K 8.02 4.00 0.00 1.71 1.63 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.39 7.81 156 I 7.60 3.82 1.93 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 1.74 1.13 0.96 0.00 0.00 157 K 7.33 4.32 0.00 2.04 1.84 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.48 7.81 158 K 7.90 4.18 0.00 1.79 1.63 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.44 7.81