NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2947 8.4449 120.2258 55.7700 29.6172 174.6735 5 P 4.1436 0.0000 0.0000 61.7961 32.5116 175.6366 6 C 4.8398 7.4478 117.3611 55.9637 30.9639 174.6774 7 V 4.4255 7.3040 127.9573 61.2662 31.8074 175.1583 *9 S 4.5179 7.8623 118.4185 58.7600 65.2337 176.7908 10 L 4.1683 7.7032 120.0432 56.8644 41.6534 179.0857 11 V 3.7425 7.7707 118.1856 65.7696 31.4529 178.0615 12 S 4.2590 8.0948 113.8726 61.5409 62.8908 176.4004 13 Q 4.1050 7.7277 118.9991 58.7467 28.1984 177.9083 14 Y 4.1929 7.8331 120.5387 60.6646 38.7020 177.8431 15 F 3.9678 8.2893 121.3389 61.3232 39.5142 177.2177 16 Q 3.9904 8.0635 117.4781 59.0506 28.2432 178.7267 17 T 3.8451 7.7407 117.0267 66.6352 68.2405 176.8704 18 V 3.4839 6.9677 119.0093 65.8725 31.5697 178.0809 19 T 3.8474 7.2521 115.7811 66.6721 68.3469 176.2326 20 D 4.3454 8.0459 120.7627 57.5884 40.6033 178.2661 21 Y 4.2564 7.8204 119.9404 60.8211 38.8873 178.6073 22 G 3.4328 7.8280 106.4552 47.5668 0.0000 175.8901 23 K 3.9762 7.8173 120.2862 59.3267 31.9220 178.9701 24 D 4.5042 7.6164 117.8869 57.2358 41.0257 178.6650 25 L 4.0167 7.2877 118.1449 58.0634 41.7504 179.4097 26 M 4.0602 7.7644 118.1199 58.3739 31.5966 178.7060 27 E 4.0767 8.0772 117.9747 58.4687 29.5708 178.0279 28 K 4.5159 7.3803 116.8801 56.4099 32.7118 177.6533 29 V 4.2518 7.4465 119.1754 63.7641 33.8482 177.0032 30 K 4.2986 7.9369 116.7492 57.8176 32.0741 176.5991 31 S 4.7616 7.9475 111.8468 59.0719 70.0800 174.9946 32 P 4.1956 0.0000 0.0000 65.3575 31.3180 178.1965 33 E 4.0711 8.0507 116.0674 58.2448 30.1014 177.8116 34 L 3.9986 7.8424 118.4392 57.4116 41.2166 177.4073 35 Q 3.8784 7.1656 119.8139 55.5190 29.3409 175.5987 36 A 4.4031 6.9414 126.2927 51.9894 21.8190 176.2155 37 E 3.8935 8.5606 121.3812 59.1853 30.6116 178.6828 38 A 4.6236 7.1865 122.9065 50.0312 16.8246 176.8360 39 K 3.8424 7.8953 124.5704 59.1234 32.7612 178.9875 40 S 4.3329 8.0917 113.7063 61.2642 63.0558 175.7064 41 Y 3.9182 8.1128 123.0548 60.6967 38.5611 177.4284 42 F 4.3919 8.6376 118.5381 59.4332 39.1456 176.9945 43 E 4.1653 7.9019 118.2576 59.1187 29.4407 178.6287 44 K 4.4952 8.1695 119.1481 58.0808 31.9852 179.4449 45 S 4.0187 8.0198 115.1215 61.1058 63.0242 176.5396 46 K 4.0676 7.7301 120.4490 58.6173 31.6497 178.1174 47 E 4.2746 7.6843 117.7058 56.9043 29.5681 177.7385 48 Q 4.3317 7.8142 120.0893 56.5692 30.2077 177.7836 49 L 4.0491 7.5966 119.3505 57.6048 42.2325 178.9018 50 T 3.8334 7.6544 115.3423 66.4469 68.4766 175.0226 51 P 4.2775 0.0000 0.0000 65.3464 31.0825 178.4898 52 L 3.9585 7.1194 116.8047 58.0189 42.1377 178.8458 53 I 3.8790 7.5545 119.8171 64.3342 37.2937 178.5076 54 K 4.0697 8.1490 118.6591 58.5534 31.6788 179.2981 55 K 3.9470 7.9635 120.4727 59.2164 32.0108 178.4626 56 A 4.4217 7.3234 122.3922 53.9115 16.9037 179.7637 57 G 3.5176 7.8926 104.7051 47.4968 0.0000 174.8534 58 T 4.3494 7.3052 112.6315 61.7388 67.5155 174.4700 59 E 4.2533 7.4501 117.4878 57.6976 31.5373 177.9597 60 L 3.8209 7.7921 118.7743 57.9135 41.7939 179.7832 61 V 3.6176 7.1513 115.4043 66.1784 31.2103 177.7880 62 N 4.4207 8.0753 115.7247 56.3250 38.3293 177.2840 63 F 4.2085 8.1932 119.3519 60.4557 38.8421 177.9216 64 L 4.2635 8.2121 118.7494 57.8727 41.1679 179.5444 65 S 4.0392 7.9117 112.4682 61.3794 62.3913 175.2912 66 Y 4.8286 7.2158 121.5303 59.8497 38.3829 177.7225 67 F 4.2566 7.3406 119.1799 59.8478 40.1937 175.9876 68 V 4.2237 7.0097 118.3030 61.2623 29.9587 175.3120 69 E 4.6921 7.4672 117.3414 56.1040 34.5045 175.9865 70 L 4.5147 7.2355 118.8731 54.4088 42.3626 175.7497 71 G 4.2023 7.9628 108.1717 45.2816 0.0000 171.4996 72 T 4.5548 7.8201 110.9712 61.4872 69.8425 173.4670 73 Q 4.4145 8.1654 125.1202 53.1300 29.7484 170.9259 74 P 4.1503 0.0000 0.0000 63.0734 31.6216 177.2200 75 A 4.5387 7.8413 121.1020 51.8186 21.6542 175.1852 76 T 4.7303 8.7172 112.0120 62.5862 68.3713 174.7023 77 Q 4.1824 9.2930 118.6603 55.7972 29.5099 174.8613 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 4 E 8.44 4.29 0.00 1.95 2.00 0.00 0.00 0.00 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 2.40 0.00 5 P 0.00 4.14 0.00 2.11 1.96 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 6 C 7.45 4.84 0.00 3.02 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 7 V 7.30 4.43 2.07 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 0.73 0.00 0.00 0.92 0.00 0.00 *9 S 7.86 4.52 0.00 4.06 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 0.00 10 L 7.70 4.17 0.00 1.72 1.76 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.77 3.74 2.12 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 1.17 0.00 0.00 0.93 0.00 0.00 12 S 8.09 4.26 0.00 4.13 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 13 Q 7.73 4.11 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 14 Y 7.83 4.19 0.00 3.07 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 15 F 8.29 3.97 0.00 3.17 3.23 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 16 Q 8.06 3.99 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.74 0.00 17 T 7.74 3.85 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 18 V 6.97 3.48 1.76 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 0.67 0.00 0.00 0.44 0.00 0.00 19 T 7.25 3.85 4.30 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 1.14 0.00 0.00 20 D 8.05 4.35 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.82 4.26 0.00 2.96 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 22 G 7.83 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.82 3.98 0.00 1.97 1.82 0.00 1.47 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.54 7.81 24 D 7.62 4.50 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.29 4.02 0.00 1.65 1.54 0.42 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.76 4.06 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 27 E 8.08 4.08 0.00 2.05 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 2.31 2.54 0.00 28 K 7.38 4.52 0.00 1.84 1.78 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.58 7.81 29 V 7.45 4.25 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 1.12 0.00 0.00 0.96 0.00 0.00 30 K 7.94 4.30 0.00 1.80 1.82 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.58 7.81 31 S 7.95 4.76 0.00 3.95 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 32 P 0.00 4.20 0.00 2.20 2.31 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 33 E 8.05 4.07 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 2.33 2.30 0.00 34 L 7.84 4.00 0.00 1.62 1.75 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.17 3.88 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.19 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 36 A 6.94 4.40 1.12 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 37 E 8.56 3.89 0.00 1.85 1.88 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 2.25 2.21 0.00 38 A 7.19 4.62 1.45 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 0.00 0.00 0.00 39 K 7.90 3.84 0.00 1.82 1.87 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.55 7.81 40 S 8.09 4.33 0.00 4.09 4.16 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 0.00 0.00 0.00 41 Y 8.11 3.92 0.00 3.24 3.33 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 42 F 8.64 4.39 0.00 3.11 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 43 E 7.90 4.17 0.00 2.14 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 0.00 2.31 2.36 0.00 44 K 8.17 4.50 0.00 1.69 1.66 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.43 7.81 45 S 8.02 4.02 0.00 3.95 4.08 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 46 K 7.73 4.07 0.00 2.02 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.71 7.81 47 E 7.68 4.27 0.00 2.10 1.92 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 2.30 2.52 0.00 48 Q 7.81 4.33 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.50 0.00 49 L 7.60 4.05 0.00 1.66 1.68 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.65 3.83 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 51 P 0.00 4.28 0.00 2.13 2.08 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 52 L 7.12 3.96 0.00 1.81 1.88 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.55 3.88 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.90 0.00 0.00 54 K 8.15 4.07 0.00 1.84 1.84 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 K 7.96 3.95 0.00 2.05 1.94 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 56 A 7.32 4.42 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 57 G 7.89 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.31 4.35 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 1.25 0.00 0.00 59 E 7.45 4.25 0.00 1.91 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.48 0.00 60 L 7.79 3.82 0.00 1.62 1.69 0.89 1.07 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 61 V 7.15 3.62 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 1.04 0.00 0.00 0.95 0.00 0.00 62 N 8.08 4.42 0.00 3.13 2.98 0.00 0.00 7.17 8.13 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 63 F 8.19 4.21 0.00 2.99 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 64 L 8.21 4.26 0.00 1.90 1.84 1.26 0.72 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 65 S 7.91 4.04 0.00 4.00 3.92 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 66 Y 7.22 4.83 0.00 2.83 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 67 F 7.34 4.26 0.00 3.24 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 68 V 7.01 4.22 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 0.77 0.00 0.00 0.99 0.00 0.00 69 E 7.47 4.69 0.00 2.08 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 2.30 2.48 0.00 70 L 7.24 4.51 0.00 1.45 1.56 0.79 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.96 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 72 T 7.82 4.55 4.23 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 1.20 0.00 0.00 73 Q 8.17 4.41 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 74 P 0.00 4.15 0.00 2.17 2.08 0.00 3.80 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 1.98 1.96 0.00 75 A 7.84 4.54 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 76 T 8.72 4.73 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 77 Q 9.29 4.18 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.