NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 86 R 4.2579 8.2549 120.8601 56.0901 30.9415 174.6876 87 K 4.0256 8.3128 125.1663 55.2367 33.4665 174.1956 88 L 4.9843 8.8499 120.7156 53.2266 46.7847 178.3555 89 C 4.5139 10.4584 120.4217 59.4469 40.3252 175.6608 90 S 4.1902 7.9869 112.2170 58.7262 63.4207 173.6436 91 L 4.5373 7.7051 122.4237 53.9331 42.8933 175.8889 92 D 4.5073 9.5406 123.7253 55.0477 38.8095 173.4461 93 N 4.5875 8.2315 112.1889 53.9877 37.2558 174.6317 94 G 3.8930 8.8818 101.1448 45.7846 0.0000 174.7139 95 D 4.4364 8.1550 115.6783 54.6401 39.1426 173.6485 96 C 4.5168 8.2021 117.2418 56.9335 40.7435 173.8591 97 D 4.4642 8.5059 123.4315 56.7289 42.3152 177.3489 98 Q 4.3771 7.6517 111.8431 55.9585 30.4945 179.1143 99 F 4.7068 6.2130 127.0748 58.3277 40.4385 173.2275 100 C 5.3681 8.6831 122.0696 55.2584 44.5978 172.4794 101 H 5.1335 9.3991 121.5473 54.3866 33.6907 171.8646 102 E 5.1233 8.8099 119.2589 54.8412 31.4451 175.6140 103 E 4.6271 9.0092 124.2613 55.7899 32.8562 176.1249 104 Q 3.6467 9.3064 120.5270 58.4473 26.7610 173.3564 105 N 4.1887 8.2459 107.9820 53.7427 36.7098 174.3533 106 S 4.6918 7.7172 109.8579 56.7405 66.9349 173.5826 107 V 4.2740 8.3562 125.4138 62.8007 32.3128 175.2598 108 V 4.4841 9.2851 127.5482 61.4160 34.2956 173.9545 109 C 5.3829 8.8765 124.9833 56.4563 39.7922 172.5183 110 S 4.6352 8.7707 114.7310 58.1699 66.4113 171.9570 111 C 4.9171 8.5478 115.2130 54.7259 39.3740 174.5068 112 A 4.4316 8.7042 124.1867 51.8237 18.6720 177.4360 113 R 3.9546 8.5258 119.8291 58.3933 30.6018 177.0666 114 G 3.9579 9.5905 111.5344 45.3273 0.0000 172.0193 115 Y 5.3028 7.6203 115.6790 56.3792 42.1712 174.8079 116 T 4.7153 8.8890 118.7170 61.3728 71.7776 173.4702 117 L 4.4848 8.6058 128.0480 54.8086 42.8187 176.5173 118 A 4.2143 9.5407 129.1812 51.9069 19.2480 178.0945 119 D 4.2923 8.8421 119.2713 57.5620 40.9375 178.0369 120 N 4.4119 8.1301 113.4383 53.1830 37.3612 175.7575 121 G 3.9465 8.3560 107.3719 46.1361 0.0000 173.5714 122 K 4.4816 8.9633 117.6215 57.8131 34.6575 176.6839 123 A 4.8280 8.2006 121.0435 52.0176 20.0528 176.5534 124 C 5.3361 8.8899 117.4814 55.3677 39.3538 173.6909 125 I 4.5635 8.9659 126.0729 58.9722 38.6713 173.8235 126 P 4.4343 0.0000 0.0000 62.6957 31.4748 176.7466 127 T 4.1545 8.4849 113.6800 63.0423 69.6120 174.1638 128 G 4.1062 7.3833 109.7687 43.8102 0.0000 170.6685 129 P 4.1644 0.0000 0.0000 64.0636 32.2493 175.7839 130 Y 4.7432 7.2613 115.6462 56.1899 38.7331 173.5786 131 P 4.3056 0.0000 0.0000 62.0632 32.7116 176.3694 132 C 4.2289 8.4994 115.1256 60.0185 29.7762 174.1276 133 G 3.9626 8.9179 108.7946 45.8374 0.0000 173.0675 134 K 4.6270 7.3650 118.0084 54.0020 33.9958 176.4660 135 Q 4.1668 8.5998 123.0094 56.0567 29.3344 175.8411 136 T 4.3406 8.3911 112.2215 60.8570 69.9142 173.9970 137 L 4.7640 8.3178 125.1903 52.7821 44.8573 174.4913 138 E 4.4445 8.3985 119.9384 55.4365 31.9302 176.8520 *139 R 4.1254 8.2964 115.9402 56.5514 30.1652 172.5485 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 86 R 8.25 4.26 0.00 1.79 1.93 0.00 3.36 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 87 K 8.31 4.03 0.00 1.87 1.75 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 88 L 8.85 4.98 0.00 1.64 1.48 0.92 0.94 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 89 C 10.46 4.51 0.00 2.89 3.13 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 90 S 7.99 4.19 0.00 3.97 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 91 L 7.71 4.54 0.00 1.66 1.61 0.92 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 92 D 9.54 4.51 0.00 2.81 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 93 N 8.23 4.59 0.00 2.94 2.81 0.00 0.00 7.56 7.92 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 94 G 8.88 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 95 D 8.16 4.44 0.00 2.85 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 96 C 8.20 4.52 0.00 2.95 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 97 D 8.51 4.46 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.65 4.38 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.96 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 99 F 6.21 4.71 0.00 3.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.68 5.37 0.00 2.98 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 0.00 101 H 9.40 5.13 0.00 3.04 3.11 0.00 5.62 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 0.00 102 E 8.81 5.12 0.00 1.83 1.87 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 2.22 2.31 0.00 103 E 9.01 4.63 0.00 1.98 1.80 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 0.00 2.21 2.26 0.00 104 Q 9.31 3.65 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 105 N 8.25 4.19 0.00 2.79 2.84 0.00 0.00 6.89 7.57 0.00 0.00 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 S 7.72 4.69 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.36 4.27 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 0.80 0.00 0.00 0.96 0.00 0.00 108 V 9.29 4.48 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 1.01 0.00 0.00 1.01 0.00 0.00 109 C 8.88 5.38 0.00 3.05 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 0.00 110 S 8.77 4.64 0.00 3.99 4.07 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 0.00 111 C 8.55 4.92 0.00 2.79 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 0.00 112 A 8.70 4.43 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 0.00 113 R 8.53 3.95 0.00 1.86 1.96 0.00 3.29 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 114 G 9.59 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 0.00 115 Y 7.62 5.30 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.89 4.72 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 0.00 117 L 8.61 4.48 0.00 1.65 1.59 0.93 1.10 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 0.00 118 A 9.54 4.21 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 0.00 119 D 8.84 4.29 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.41 0.00 2.80 2.93 0.00 0.00 6.02 7.00 0.00 0.00 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 G 8.36 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 0.00 122 K 8.96 4.48 0.00 1.76 1.90 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 123 A 8.20 4.83 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 5.34 0.00 2.62 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.97 4.56 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 0.91 0.00 0.00 126 P 0.00 4.43 0.00 1.86 1.53 0.00 3.65 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 1.97 2.11 0.00 127 T 8.48 4.15 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 1.19 0.00 0.00 128 G 7.38 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 0.00 0.00 0.00 0.00 129 P 0.00 4.16 0.00 1.61 1.98 0.00 3.70 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 2.04 1.97 0.00 130 Y 7.26 4.74 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 0.00 131 P 0.00 4.31 0.00 1.54 1.64 0.00 3.64 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 1.98 1.73 0.00 132 C 8.50 4.23 0.00 3.20 3.09 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 0.00 0.00 0.00 0.00 133 G 8.92 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 K 7.36 4.63 0.00 2.02 1.75 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.71 1.59 7.81 135 Q 8.60 4.17 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 136 T 8.39 4.34 4.46 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 1.41 0.00 0.00 137 L 8.32 4.76 0.00 1.61 1.63 0.91 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 0.00 138 E 8.40 4.44 0.00 2.06 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 2.19 2.22 0.00 *139 R 8.30 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.