NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3173 8.3049 120.3077 53.4847 34.6420 174.4469 2 L 4.2286 7.4439 120.9488 53.1249 43.7635 174.7829 3 Y 4.7972 8.3128 120.3801 57.6860 40.8681 176.7803 4 G 3.8402 8.6153 109.7236 44.8588 0.0000 173.3749 5 S 4.5714 8.3109 114.3088 58.3190 63.8381 173.6429 6 S 4.6768 7.9554 114.9804 56.8384 65.4257 174.2853 7 I 3.8653 8.3031 124.2107 61.2358 36.5255 176.6501 8 S 4.3459 8.4406 118.3743 57.7910 63.8695 175.2040 9 A 4.1598 8.4888 124.6103 55.0833 18.8226 179.7007 10 E 3.9607 7.7755 113.9128 59.6073 29.7069 179.2128 11 S 4.2038 7.9534 115.1908 61.7023 62.8193 176.5794 12 M 4.1363 7.8064 121.6066 58.0528 31.6103 178.9165 13 K 3.9869 7.8252 118.4110 59.3654 32.2487 179.5314 14 V 3.5788 7.7163 118.0067 66.1079 31.1228 177.9494 15 I 3.6936 7.7283 119.0427 64.2872 36.9668 178.2118 16 A 4.0181 8.0997 121.6007 55.3198 18.2930 179.6096 17 E 3.9672 8.2474 117.0772 59.6083 29.3370 179.7103 18 S 4.2830 8.0531 114.3500 60.2995 62.9111 175.5483 19 I 4.4081 7.2222 113.0160 59.7629 37.8874 176.0079 20 G 3.8760 7.6203 107.6397 46.8970 0.0000 174.9570 21 V 3.8345 7.6824 110.5574 60.9804 31.9343 177.6125 22 G 3.7975 7.8644 108.0527 44.4338 0.0000 173.4116 23 S 4.4149 8.2916 113.9603 58.2347 63.6141 173.5568 24 L 4.8117 7.9712 121.9379 52.7147 44.4143 177.6104 25 S 4.3714 8.3074 117.7851 58.3504 64.9246 175.4437 26 D 4.4023 8.6141 124.3153 57.6543 40.6720 178.9519 27 D 4.3728 8.0942 118.9715 56.2024 39.4674 178.4506 28 A 3.9455 7.9222 121.5742 54.9497 18.4896 179.2721 29 A 3.9603 8.0760 119.3300 55.2415 18.4494 180.0378 30 K 3.9037 8.1716 117.0299 59.4302 32.0838 179.2149 31 E 3.9034 8.2466 119.5370 59.3380 29.5452 178.8774 32 L 3.9901 8.0280 118.7603 57.7922 41.6569 179.4107 33 A 3.9987 8.2324 120.8611 54.9477 18.2838 179.4207 34 E 3.8439 8.2396 117.8726 59.4860 29.8180 178.6643 35 D 4.3688 8.4680 119.6167 57.4864 40.8689 179.3268 36 V 3.6866 8.1699 119.9121 64.8925 31.3208 178.6271 37 S 4.1496 7.9713 115.4895 61.3782 62.6631 176.6600 38 I 3.7445 7.8844 122.6616 64.1871 36.7271 178.6517 39 K 3.9866 8.1692 119.3865 59.3835 31.8306 179.3382 40 L 3.9892 8.2687 119.6355 57.8765 41.4734 179.8179 41 K 3.9938 8.0705 118.3418 59.4167 31.8800 179.7185 42 R 3.9111 7.9809 118.3014 59.2311 29.9801 179.1235 43 I 3.9075 7.9607 121.1718 63.8920 37.0595 178.7041 44 V 3.5948 7.9933 119.1443 65.8950 31.3491 177.7403 45 Q 3.9300 8.3382 119.5453 59.4839 28.9657 178.1286 46 D 4.1775 8.3400 119.7474 57.1348 40.7224 178.6096 47 A 4.4142 8.3274 121.1978 55.3697 18.3956 179.6243 48 A 3.9722 8.3575 119.4017 55.0603 18.2881 180.0974 49 K 3.8825 7.8962 117.3444 59.5093 32.0690 179.5953 50 F 4.2770 8.0535 118.0907 60.6648 38.8438 177.1392 51 M 4.0527 8.4343 118.0504 59.0688 32.0396 178.0515 52 N 4.3583 8.3846 116.4551 56.6168 38.4953 176.8715 53 H 4.2410 8.4570 118.6786 58.7066 29.9313 176.0892 54 A 4.4586 7.5966 119.6051 50.9530 18.8021 176.9961 55 K 3.8272 8.1081 116.3618 57.8260 30.2013 175.8448 56 R 4.6558 7.8004 117.0075 54.8253 31.9882 176.3421 57 Q 4.5245 8.5014 115.0648 55.4902 29.7750 175.0702 58 K 4.4635 7.7630 120.1549 54.1005 34.0350 175.0867 59 L 4.2481 8.6208 128.9861 55.0812 42.8429 175.9564 60 S 4.8964 9.0753 120.1485 56.0697 65.8022 175.4905 61 V 3.6653 8.2332 114.1296 64.5278 31.1279 178.8352 62 R 3.8589 7.5992 118.3388 59.4054 29.9028 178.3162 63 D 4.3600 8.0257 118.8184 57.3798 40.7591 178.8241 64 I 3.8080 7.6188 119.9143 64.3168 37.2088 178.0650 65 D 4.3121 8.2709 119.8673 57.6269 40.4517 178.6378 66 M 3.8028 7.6369 117.8437 58.4169 31.9968 178.4833 67 S 4.5760 8.1986 113.1559 61.5159 62.3947 176.1940 68 L 4.1024 8.0113 120.5746 57.2940 41.3668 179.1743 69 K 4.0828 7.7062 120.0544 59.3960 32.0971 177.9989 *70 V 3.9754 7.4176 119.9494 60.9335 32.3619 178.6225 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 1 M 8.30 4.32 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 L 7.44 4.23 0.00 1.66 1.56 0.95 0.46 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 3 Y 8.31 4.80 0.00 2.97 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 4 G 8.62 3.84 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 0.00 0.00 0.00 5 S 8.31 4.57 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.96 4.68 0.00 3.92 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 7 I 8.30 3.87 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 1.36 0.81 0.91 0.00 0.00 8 S 8.44 4.35 0.00 4.00 3.99 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 0.00 0.00 0.00 9 A 8.49 4.16 1.35 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 10 E 7.78 3.96 0.00 2.08 1.96 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 2.31 2.40 0.00 11 S 7.95 4.20 0.00 3.98 3.90 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 12 M 7.81 4.14 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.89 0.00 13 K 7.83 3.99 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.59 7.81 14 V 7.72 3.58 2.23 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 1.07 0.00 0.00 0.93 0.00 0.00 15 I 7.73 3.69 2.01 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 1.46 0.89 0.91 0.00 0.00 16 A 8.10 4.02 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 17 E 8.25 3.97 0.00 2.20 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 2.33 2.51 0.00 18 S 8.05 4.28 0.00 4.00 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 19 I 7.22 4.41 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 1.73 0.63 0.96 0.00 0.00 20 G 7.62 3.88 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 0.00 0.00 0.00 21 V 7.68 3.83 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 1.00 0.00 0.00 22 G 7.86 3.80 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 0.00 0.00 0.00 23 S 8.29 4.41 0.00 3.87 3.80 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 24 L 7.97 4.81 0.00 1.59 1.54 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.31 4.37 0.00 3.96 3.80 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 26 D 8.61 4.40 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.09 4.37 0.00 2.94 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 28 A 7.92 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 29 A 8.08 3.96 1.38 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 0.00 0.00 30 K 8.17 3.90 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.76 1.59 7.81 31 E 8.25 3.90 0.00 2.17 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 0.00 2.30 2.52 0.00 32 L 8.03 3.99 0.00 2.00 1.70 0.92 0.77 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 33 A 8.23 4.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.24 3.84 0.00 2.16 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 0.00 2.28 2.32 0.00 35 D 8.47 4.37 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.69 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 1.08 0.00 0.00 0.93 0.00 0.00 37 S 7.97 4.15 0.00 4.04 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 38 I 7.88 3.74 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.02 0.90 0.00 0.00 39 K 8.17 3.99 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.63 7.81 40 L 8.27 3.99 0.00 1.85 1.73 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.07 3.99 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 42 R 7.98 3.91 0.00 2.06 1.98 0.00 3.13 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 1.65 1.92 0.00 43 I 7.96 3.91 2.03 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 1.42 1.72 0.94 0.00 0.00 44 V 7.99 3.59 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 1.09 0.00 0.00 1.02 0.00 0.00 45 Q 8.34 3.93 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 46 D 8.34 4.18 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.41 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.36 3.97 1.38 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 0.00 0.00 49 K 7.90 3.88 0.00 1.66 1.63 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.47 7.81 50 F 8.05 4.28 0.00 3.32 3.03 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 51 M 8.43 4.05 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 52 N 8.38 4.36 0.00 3.02 2.86 0.00 0.00 6.75 7.69 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 53 H 8.46 4.24 0.00 3.24 3.62 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.60 4.46 1.43 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 55 K 8.11 3.83 0.00 1.88 1.92 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.37 7.81 56 R 7.80 4.66 0.00 1.96 1.86 0.00 3.12 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 57 Q 8.50 4.52 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 58 K 7.76 4.46 0.00 1.70 1.72 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.38 7.81 59 L 8.62 4.25 0.00 1.65 1.58 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.08 4.90 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.23 3.67 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 0.92 0.00 0.00 62 R 7.60 3.86 0.00 1.99 1.89 0.00 3.11 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 63 D 8.03 4.36 0.00 2.97 2.98 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 64 I 7.62 3.81 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.86 0.92 0.00 0.00 65 D 8.27 4.31 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 66 M 7.64 3.80 0.00 0.57 1.66 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.52 0.00 67 S 8.20 4.58 0.00 4.27 4.12 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 68 L 8.01 4.10 0.00 1.81 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.71 4.08 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.53 7.81 *70 V 7.42 3.98 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 0.90 0.00 0.00 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.