NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 G 3.8238 8.4545 109.7378 46.7696 0.0000 174.2290 36 V 3.2520 8.3189 120.9388 60.1466 29.2727 168.7386 37 T 4.5808 7.8737 109.3891 63.1696 71.0125 177.7105 38 R 4.0547 8.2179 125.4834 60.9806 29.8498 181.5714 39 N 4.5681 8.2654 116.6201 55.4831 38.0696 179.5688 40 K 4.2406 8.0548 119.8870 58.9095 32.1163 185.0000 41 I 4.2348 7.4688 118.1399 60.9862 35.0415 180.4265 *43 T 4.3172 8.0856 115.7504 61.6324 70.7644 179.0239 44 A 4.1505 7.9755 126.2433 55.4912 18.3660 180.5653 45 Q 2.5200 7.7490 121.2602 60.5159 28.0751 181.5719 *46 Y 4.1897 7.6832 125.0820 62.5439 37.1259 180.6699 47 E 4.1769 7.9593 120.4958 60.7236 29.8905 180.2337 48 C 4.3161 7.7581 118.8588 60.0114 43.4795 175.4247 49 Y 4.0406 7.4531 119.1557 61.4987 37.4735 178.5490 50 Q 4.2487 7.9283 123.3706 60.1918 28.3139 182.1274 51 K 4.5655 7.7705 124.7204 59.6126 31.9193 183.1125 52 I 4.3118 7.2535 118.6567 63.5563 36.4931 182.0978 *54 Q 4.3799 7.8942 119.5649 55.7247 29.0738 177.9244 55 D 4.6744 7.4586 120.2444 51.7826 44.2390 175.8581 56 P 4.2652 0.0000 0.0000 63.3611 30.4212 178.0781 57 I 3.6631 8.3423 125.6257 59.6773 35.3545 172.8091 *66 N 4.6629 8.6604 125.3451 51.3580 38.8646 171.7455 67 R 4.3960 8.8302 126.5055 57.5604 30.0744 173.1227 68 T 4.6974 8.0409 115.6710 59.4379 73.8574 170.5651 69 W 4.9223 8.5417 129.5910 56.9397 32.2262 175.1368 70 D 4.2979 7.7547 124.8095 52.8587 39.3730 177.1690 71 G 3.5754 5.6665 108.6829 44.8543 0.0000 173.4506 72 W 4.1659 6.9946 118.1503 57.7332 31.6562 176.1335 73 L 5.0586 8.3985 117.3266 52.3002 44.3235 176.8250 74 C 5.0439 9.0081 121.2118 56.7836 43.3322 173.7986 *75 W 4.7628 8.0401 127.4255 54.7817 31.2243 173.4808 *81 G 3.7838 8.8866 104.2614 48.2291 0.0000 174.5157 82 T 3.7637 7.7687 116.5449 62.7033 69.3500 175.5123 83 E 4.9063 8.5970 126.7844 53.6495 29.8276 174.6145 84 S 4.3596 8.0800 127.5273 58.8704 64.0358 173.1772 *86 Q 4.2814 8.5451 115.9293 56.9022 29.2117 171.4131 87 L 4.2412 8.4563 122.9061 54.2572 41.5958 178.5542 88 C 4.4689 8.8766 123.8019 54.2278 40.3743 169.3103 89 P 4.4077 0.0000 0.0000 60.9461 31.0899 173.9761 90 D 4.5816 8.0561 120.7660 52.9841 38.3126 174.8325 91 Y 4.2492 8.2510 125.2488 59.8927 38.9772 177.6109 *101 V 4.0893 7.5020 118.4435 62.3702 33.4830 177.0174 102 T 5.0391 8.2819 116.9354 60.8953 73.5004 173.9141 103 K 4.8155 8.7232 123.7668 56.4230 36.2523 175.4831 104 I 4.0803 8.7687 128.4203 59.9625 37.2852 172.2812 105 C 4.8396 7.8699 124.9870 53.8211 40.4867 175.0317 106 D 4.6140 8.9394 125.8639 52.9592 39.9847 175.1195 107 Q 4.1034 8.7067 121.3055 58.4312 28.2572 178.3351 108 D 4.7138 7.9729 113.0164 53.7219 40.2336 180.5699 109 G 4.3655 8.2889 110.9552 46.9429 0.0000 174.6163 110 N 4.6656 7.9824 116.5155 53.0502 39.8391 174.5925 111 W 4.7289 8.8043 120.1657 55.6844 30.9870 176.1286 112 F 4.3990 8.9922 124.2966 59.0509 39.7996 173.9267 113 R 5.3936 7.8950 125.1507 53.6089 31.9827 175.6398 114 H 3.5386 8.3725 124.4043 55.6502 30.3554 174.0776 115 P 4.1516 0.0000 0.0000 65.6889 31.3786 177.7555 116 A 4.1649 8.1699 119.4433 54.0854 18.5001 177.9999 117 S 4.5008 7.6786 107.7712 57.0024 65.0369 173.4695 118 N 4.1220 8.4628 118.2386 54.5864 37.5325 173.3573 119 R 4.5441 7.5690 115.1937 54.6556 32.9987 175.4444 120 T 4.6054 8.4289 120.7818 63.0839 68.3232 173.4863 121 W 4.6923 9.1116 135.0000 56.2011 32.2010 175.4184 122 T 4.6435 7.2940 122.6607 61.3907 70.3156 173.4030 123 N 4.3737 8.7069 127.3646 54.1848 40.4053 175.3329 *124 Y 4.2587 8.2298 122.8864 56.9955 38.1173 173.0834 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 35 G 8.45 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 0.00 0.00 0.00 36 V 8.32 3.25 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 0.74 0.00 0.00 0.93 0.00 0.00 37 T 7.87 4.58 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 1.27 0.00 0.00 38 R 8.22 4.05 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 39 N 8.27 4.57 0.00 2.73 2.77 0.00 0.00 6.54 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.05 4.24 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.26 7.81 41 I 7.47 4.23 1.87 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 1.16 0.54 0.91 0.00 0.00 *43 T 8.09 4.32 4.24 0.00 0.00 0.00 0.00 0.00 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 44 A 7.98 4.15 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.75 2.52 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 *46 Y 7.68 4.19 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.96 4.18 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 48 C 7.76 4.32 0.00 2.78 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.45 4.04 0.00 2.88 2.84 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 0.00 0.00 0.00 50 Q 7.93 4.25 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 51 K 7.77 4.57 0.00 1.89 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.32 7.81 52 I 7.25 4.31 1.87 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 1.38 1.10 0.91 0.00 0.00 *54 Q 7.89 4.38 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 55 D 7.46 4.67 0.00 2.64 2.40 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 56 P 0.00 4.27 0.00 2.08 1.91 0.00 3.72 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 1.94 1.59 0.00 57 I 8.34 3.66 1.87 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 1.27 1.10 0.91 0.00 0.00 *66 N 8.66 4.66 0.00 2.76 2.70 0.00 0.00 6.81 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 67 R 8.83 4.40 0.00 1.59 1.75 0.00 3.22 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 68 T 8.04 4.70 4.24 0.00 0.00 0.00 0.00 0.00 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 69 W 8.54 4.92 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.75 4.30 0.00 2.60 2.41 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 71 G 5.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 W 6.99 4.17 0.00 2.92 2.80 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 0.00 0.00 0.00 73 L 8.40 5.06 0.00 1.47 1.47 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 74 C 9.01 5.04 0.00 3.14 3.12 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 *75 W 8.04 4.76 0.00 2.41 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 0.00 0.00 0.00 0.00 *81 G 8.89 3.78 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 0.00 0.00 0.00 82 T 7.77 3.76 4.24 0.00 0.00 0.00 0.00 0.00 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 83 E 8.60 4.91 0.00 1.72 1.77 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 2.13 1.69 0.00 84 S 8.08 4.36 0.00 3.41 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 *86 Q 8.55 4.28 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.91 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 87 L 8.46 4.24 0.00 1.66 1.49 0.92 0.79 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 88 C 8.88 4.47 0.00 2.72 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 89 P 0.00 4.41 0.00 2.08 1.85 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 1.93 1.58 0.00 90 D 8.06 4.58 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.25 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 4.09 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 0.68 0.00 0.00 0.93 0.00 0.00 102 T 8.28 5.04 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 103 K 8.72 4.82 0.00 1.44 1.66 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.28 1.25 7.81 104 I 8.77 4.08 1.87 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 1.20 0.54 0.91 0.00 0.00 105 C 7.87 4.84 0.00 2.33 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 0.00 106 D 8.94 4.61 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.71 4.10 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 7.12 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 108 D 7.97 4.71 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 4.37 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 0.00 110 N 7.98 4.67 0.00 2.74 2.87 0.00 0.00 7.08 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 0.00 111 W 8.80 4.73 0.00 3.19 3.29 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 0.00 112 F 8.99 4.40 0.00 3.28 3.22 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 0.00 113 R 7.89 5.39 0.00 1.57 1.78 0.00 3.35 0.00 0.00 4.01 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 114 H 8.37 3.54 0.00 2.99 3.00 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.15 0.00 2.02 2.07 0.00 3.34 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 116 A 8.17 4.16 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 0.00 117 S 7.68 4.50 0.00 3.91 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 0.00 118 N 8.46 4.12 0.00 2.77 2.91 0.00 0.00 7.04 7.62 0.00 0.00 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 R 7.57 4.54 0.00 1.92 1.79 0.00 3.19 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 120 T 8.43 4.61 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 0.00 121 W 9.11 4.69 0.00 3.21 3.32 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 0.00 122 T 7.29 4.64 3.91 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 0.00 0.00 0.00 1.07 0.00 0.00 123 N 8.71 4.37 0.00 2.91 2.83 0.00 0.00 6.76 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 *124 Y 8.23 4.26 0.00 2.31 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.