NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.2617 8.1727 120.1337 56.8047 34.5608 177.7188 76 E 3.6002 7.7869 118.3935 59.1644 29.9184 177.6677 77 N 4.3836 8.3529 116.1759 56.1804 39.0805 176.5526 78 E 3.9817 8.3619 121.0868 59.2126 29.5703 178.9717 79 I 3.7912 7.6507 119.5753 64.1225 37.2255 178.2200 80 L 3.9793 7.9577 120.0013 57.6553 41.4029 179.4372 81 R 3.8654 8.3424 119.0443 59.6446 30.0616 178.7848 82 R 4.0923 7.9877 117.8196 59.2220 29.7763 178.7204 83 E 3.9254 7.7900 118.2516 59.1287 29.7180 178.3157 84 L 4.0960 7.8455 119.6060 58.1808 42.2146 178.2856 85 D 4.5690 8.2729 118.4527 57.2688 40.4736 179.3835 86 R 4.1088 7.8091 116.5829 56.7239 29.8612 178.6009 *88 R 4.2772 7.9620 118.3272 55.6077 32.1016 176.3972 89 V 3.6755 7.2647 117.8190 61.8473 31.9070 173.9189 90 P 4.3737 0.0000 0.0000 62.0541 31.7937 174.4167 91 P 4.5548 0.0000 0.0000 62.5354 32.4239 175.0907 92 L 4.7361 8.0174 118.3624 53.3834 43.8248 176.3726 93 I 4.2537 8.4816 122.5640 60.6196 39.0413 174.9094 94 V 4.7337 8.3598 125.0609 61.3447 33.5796 174.6956 95 G 4.3489 8.9639 113.9181 45.0854 0.0000 170.5690 96 T 5.1564 8.8988 115.5916 61.2397 71.9741 174.3360 97 V 3.9179 9.0390 126.9958 63.5284 31.9134 176.4420 98 V 3.8421 8.9292 128.8221 65.0508 32.6470 175.6437 99 D 4.5430 7.6999 116.2352 53.3163 44.5646 174.3238 100 K 4.7209 8.7500 126.2842 55.1368 33.0367 176.1940 101 V 4.2934 8.1843 118.4746 61.2400 31.9352 175.2241 102 G 4.2050 7.4226 107.7954 44.1313 0.0000 173.6944 103 E 4.2411 8.6872 118.2330 59.0175 29.4914 177.8795 104 R 4.8504 7.5764 115.5592 55.5135 32.0052 175.1799 105 K 4.9445 8.1405 116.9885 54.9860 36.5960 176.3228 106 V 4.8649 8.7183 116.6624 59.8249 36.9098 174.0653 107 V 4.7428 8.9174 123.6190 61.8033 33.1003 175.2314 108 V 5.0313 9.0800 120.6854 59.4488 36.0603 174.4180 109 K 5.0572 9.0013 124.1876 54.7356 35.7660 175.7559 110 S 4.8345 8.1314 121.4900 56.7973 65.0912 174.8971 111 S 4.1455 8.8439 114.7708 61.6521 62.0386 175.5892 112 T 3.9701 7.3487 108.7125 63.1115 68.8715 174.1283 113 G 3.9262 7.8020 113.6163 45.3595 0.0000 172.7137 114 P 4.3185 0.0000 0.0000 62.2268 31.9185 175.5098 115 S 5.1660 8.3300 118.5780 57.7544 64.6131 173.4711 116 F 4.7483 9.3046 120.2790 55.7440 43.5809 173.4327 117 L 4.9579 8.6336 124.0891 54.1638 42.9740 175.8831 118 V 4.6801 9.0540 118.9750 59.4568 36.3220 174.8949 119 N 5.0840 8.5723 118.9550 53.0492 40.3294 174.2152 120 V 4.6529 7.6316 120.5574 60.7522 34.0019 175.7463 121 S 3.9726 8.5956 122.5710 58.4076 63.5862 175.2128 122 H 4.2645 8.2481 118.2711 58.8920 28.5921 176.6676 123 F 4.6451 7.4755 111.3318 56.9553 37.8978 174.7402 124 V 4.3190 7.2850 121.3710 61.1745 32.9153 174.7189 125 N 4.5850 8.6746 125.9972 52.2023 38.8863 173.6182 126 P 4.3198 0.0000 0.0000 65.5959 31.4691 178.2705 127 D 4.4228 8.6465 118.9703 57.2264 40.7421 177.2378 128 D 4.5218 8.2317 117.8466 55.6408 41.0937 176.2081 129 L 4.4816 7.4629 119.8264 53.5262 43.0020 175.8491 130 A 4.5758 8.0640 123.4597 50.0735 21.9151 173.8125 131 P 4.5895 0.0000 0.0000 64.6093 31.5717 176.7066 132 G 4.0197 9.3374 110.9360 45.1075 0.0000 174.0455 133 K 4.3054 7.8500 119.1779 56.3306 33.6529 176.3488 134 R 4.9183 8.4545 121.5921 55.5058 32.0053 175.9315 135 V 4.9175 8.8106 115.9198 59.8075 36.2946 174.1237 136 C 5.1422 9.0023 121.1072 58.3637 30.1112 172.7847 137 L 5.2409 8.9541 124.0050 52.4468 44.6233 175.6611 138 N 4.5696 8.8126 122.2257 53.7356 39.4811 176.0156 139 Q 3.9854 8.8800 124.2955 58.8152 29.2740 177.8381 140 Q 4.2333 8.9411 116.4865 57.8265 29.3366 176.9169 141 T 4.1425 7.9750 105.0845 61.1299 69.7722 175.2939 142 L 3.7247 8.0109 120.2273 55.4489 39.9192 174.3671 143 T 4.1555 7.4973 116.5189 63.3886 69.6298 173.9357 144 V 4.1672 8.8359 127.1646 63.5273 32.0335 176.4175 145 V 4.3325 8.5713 120.7653 60.5279 33.2413 175.1914 146 D 4.6841 7.7286 118.3169 53.2917 44.6481 173.8617 147 V 4.7681 8.2937 123.1850 60.9769 33.4521 175.2228 148 L 4.4683 8.6828 128.6310 53.5251 42.4491 175.4328 149 P 4.3976 0.0000 0.0000 62.4042 32.0471 176.3086 150 E 4.1078 8.5662 120.6613 56.6263 30.1566 177.0452 151 L 4.2553 8.3370 120.5110 55.0554 41.8835 176.7198 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 75 K 8.17 4.26 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 76 E 7.79 3.60 0.00 2.16 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 2.38 2.52 0.00 77 N 8.35 4.38 0.00 2.77 2.85 0.00 0.00 6.61 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 78 E 8.36 3.98 0.00 2.07 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 0.00 2.30 2.39 0.00 79 I 7.65 3.79 1.99 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 1.63 1.47 0.91 0.00 0.00 80 L 7.96 3.98 0.00 1.86 1.71 0.92 0.85 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 81 R 8.34 3.87 0.00 2.09 2.04 0.00 3.10 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 1.62 1.67 0.00 82 R 7.99 4.09 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 83 E 7.79 3.93 0.00 1.98 2.19 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 2.32 2.35 0.00 84 L 7.85 4.10 0.00 1.80 1.88 0.92 1.14 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 85 D 8.27 4.57 0.00 2.85 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 86 R 7.81 4.11 0.00 2.02 1.93 0.00 3.15 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 *88 R 7.96 4.28 0.00 1.87 2.03 0.00 3.21 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 89 V 7.26 3.68 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 0.77 0.00 0.00 1.03 0.00 0.00 90 P 0.00 4.37 0.00 2.30 2.03 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 91 P 0.00 4.55 0.00 2.19 2.09 0.00 3.93 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 92 L 8.02 4.74 0.00 1.54 1.62 0.94 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 93 I 8.48 4.25 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.82 0.87 0.00 0.00 94 V 8.36 4.73 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 0.79 0.00 0.00 0.93 0.00 0.00 95 G 8.96 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.90 5.16 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 1.22 0.00 0.00 97 V 9.04 3.92 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 0.97 0.00 0.00 0.96 0.00 0.00 98 V 8.93 3.84 2.21 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 0.78 0.00 0.00 0.95 0.00 0.00 99 D 7.70 4.54 0.00 2.79 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 0.00 100 K 8.75 4.72 0.00 1.74 1.70 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 101 V 8.18 4.29 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 0.77 0.00 0.00 0.93 0.00 0.00 102 G 7.42 4.20 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 0.00 103 E 8.69 4.24 0.00 1.97 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 2.32 2.33 0.00 104 R 7.58 4.85 0.00 1.66 1.80 0.00 3.08 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 105 K 8.14 4.94 0.00 1.61 1.64 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.39 7.81 106 V 8.72 4.86 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 0.66 0.00 0.00 0.94 0.00 0.00 107 V 8.92 4.74 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 0.81 0.00 0.00 0.94 0.00 0.00 108 V 9.08 5.03 2.11 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 0.68 0.00 0.00 1.05 0.00 0.00 109 K 9.00 5.06 0.00 1.81 1.62 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.35 1.55 7.81 110 S 8.13 4.83 0.00 4.11 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 0.00 111 S 8.84 4.15 0.00 3.86 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 0.00 112 T 7.35 3.97 4.27 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 1.23 0.00 0.00 113 G 7.80 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 0.00 114 P 0.00 4.32 0.00 2.28 2.21 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 115 S 8.33 5.17 0.00 3.73 3.83 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 0.00 116 F 9.30 4.75 0.00 2.92 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 0.00 117 L 8.63 4.96 0.00 1.64 1.60 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.05 4.68 2.17 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 0.77 0.00 0.00 1.01 0.00 0.00 119 N 8.57 5.08 0.00 2.60 2.65 0.00 0.00 6.21 7.68 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 0.00 120 V 7.63 4.65 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 0.75 0.00 0.00 0.91 0.00 0.00 121 S 8.60 3.97 0.00 3.02 3.46 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 0.00 122 H 8.25 4.26 0.00 3.14 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.48 4.65 0.00 3.02 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 0.00 124 V 7.29 4.32 2.18 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 0.79 0.00 0.00 1.03 0.00 0.00 125 N 8.67 4.59 0.00 2.80 3.03 0.00 0.00 6.95 7.71 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 0.00 126 P 0.00 4.32 0.00 2.25 2.43 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 127 D 8.65 4.42 0.00 2.83 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 0.00 128 D 8.23 4.52 0.00 2.81 2.74 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 0.00 129 L 7.46 4.48 0.00 1.78 1.59 0.92 0.78 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 0.00 130 A 8.06 4.58 1.22 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 0.00 131 P 0.00 4.59 0.00 2.19 2.26 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 1.99 1.98 0.00 132 G 9.34 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 0.00 133 K 7.85 4.31 0.00 1.76 1.74 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.57 7.81 134 R 8.45 4.92 0.00 1.77 1.84 0.00 3.07 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 135 V 8.81 4.92 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 0.78 0.00 0.00 1.00 0.00 0.00 136 C 9.00 5.14 0.00 2.87 2.85 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 0.00 137 L 8.95 5.24 0.00 1.47 1.49 0.87 0.66 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 0.00 138 N 8.81 4.57 0.00 2.77 2.65 0.00 0.00 7.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.88 3.99 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 140 Q 8.94 4.23 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 141 T 7.97 4.14 4.21 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 1.19 0.00 0.00 142 L 8.01 3.72 0.00 1.72 1.69 -0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.50 4.16 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 1.11 0.00 0.00 144 V 8.84 4.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 145 V 8.57 4.33 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 0.84 0.00 0.00 1.04 0.00 0.00 146 D 7.73 4.68 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.29 4.77 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 1.01 0.00 0.00 0.95 0.00 0.00 148 L 8.68 4.47 0.00 1.58 1.58 0.93 0.93 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 0.00 149 P 0.00 4.40 0.00 2.18 2.05 0.00 3.77 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 1.99 1.99 0.00 150 E 8.57 4.11 0.00 1.98 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 2.32 2.34 0.00 151 L 8.34 4.26 0.00 1.63 1.57 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.