NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1653 8.2601 123.5762 51.8228 19.8809 176.1475 5 A 3.9844 8.5423 120.5695 53.0908 21.3418 174.5530 6 D 4.7558 9.2233 122.4413 54.6226 39.0947 173.1622 7 T 4.4324 7.2882 108.9644 59.3101 70.5162 172.7066 8 P 4.3472 0.0000 0.0000 63.1353 31.8545 176.0587 9 T 4.4586 8.1936 117.6191 61.4703 70.1219 174.4176 10 A 4.2518 8.5983 129.9876 52.2146 19.1248 177.1539 11 C 4.9516 8.5345 119.2938 55.0938 43.9922 174.0192 12 C 4.7548 8.2003 119.1045 55.3856 41.4399 173.9882 13 F 4.5290 8.4215 121.9741 57.2559 40.3215 175.4300 14 S 4.3922 7.3486 113.3321 56.9853 65.4753 172.9408 15 Y 4.9891 8.0073 119.0236 56.0393 40.5863 175.7239 16 T 4.1661 8.5624 118.8046 62.7370 68.0716 173.3966 17 S 4.6974 8.4827 117.8477 59.3640 65.0583 175.1476 18 R 3.8152 7.9756 119.9740 55.6574 30.0114 176.1161 19 Q 2.5200 8.0780 124.7449 55.4312 29.4085 175.7404 20 I 3.8936 6.8235 125.9231 59.8424 38.2265 174.0500 21 P 3.9499 0.0000 0.0000 62.6492 31.4852 177.2390 22 Q 3.2150 8.6642 124.7861 58.6677 28.9930 177.6413 23 N 4.5395 7.6729 113.1730 54.3814 37.9781 176.0140 24 F 4.6505 8.3153 118.8797 59.8379 39.3607 175.4174 25 I 4.5530 7.3608 121.1150 60.7514 37.6421 175.3008 26 A 4.7184 8.6438 125.4384 52.7100 21.6266 174.9800 27 D 4.7171 7.9371 113.0846 55.1411 45.0794 173.2290 28 Y 5.8446 8.4681 116.8942 57.9078 40.5734 173.0747 29 F 3.8879 7.5088 111.0253 56.1447 40.3408 173.2735 30 E 4.8390 8.9318 120.0424 56.0023 30.8341 176.0263 31 T 4.6594 8.2213 112.1902 60.2224 70.7771 174.6591 32 S 4.2201 8.6997 116.6816 58.7366 62.7483 175.3260 33 S 4.3126 8.4706 119.1981 60.3744 63.2781 175.4358 34 Q 4.1274 7.8142 119.8725 58.4612 28.6859 176.1994 35 C 4.5301 7.6535 116.0684 56.5794 40.6537 174.8509 36 S 4.0211 8.4964 116.4246 60.1484 63.0995 174.4946 37 K 4.6686 7.1901 120.1056 53.8155 35.7853 174.4624 38 P 4.4367 0.0000 0.0000 62.9652 32.1932 175.7994 39 G 4.2530 7.9207 105.8347 45.6007 0.0000 172.2276 40 V 4.6939 8.1653 120.7292 60.6674 34.9801 174.5726 41 I 4.7087 7.8177 127.3772 59.4412 39.6062 174.8163 42 F 5.1473 8.7779 126.7352 56.8472 40.8009 174.6078 43 L 5.2288 8.9312 124.6860 53.7396 44.4945 176.1958 44 T 4.9347 8.6900 116.6853 60.3171 71.0111 175.7683 45 K 4.1219 9.0133 120.8722 58.6241 32.0720 178.5017 46 R 4.2836 7.8759 116.0194 55.8408 30.2886 176.9140 47 S 4.1669 8.1626 113.2265 58.6315 61.0150 169.5045 48 R 4.1380 7.9486 121.8277 56.2598 30.4187 174.9421 49 Q 5.1570 8.5419 123.4367 54.3703 30.9135 175.0745 50 V 4.5654 8.7931 123.1816 61.1749 35.1472 173.7973 51 C 5.1238 8.9377 124.8084 56.8917 36.7320 172.4389 52 A 5.3209 9.2842 124.4695 50.1514 23.1431 173.8349 53 D 4.0599 8.0800 118.3043 52.2383 42.0476 175.7274 54 P 4.1035 0.0000 0.0000 64.7268 31.6768 177.1938 55 S 4.3375 7.7383 110.9534 58.5219 63.1798 174.0950 56 E 4.5617 7.3606 122.2301 54.4772 32.2136 176.3969 57 E 4.1373 8.8664 123.5939 58.9026 29.6200 179.6868 58 W 4.0535 7.9759 117.2779 58.8793 27.9966 178.5517 59 V 3.0188 6.2932 112.1551 63.7553 31.1426 177.9842 60 Q 4.0113 7.5033 117.9650 58.6945 28.5605 178.7002 61 K 4.1202 8.0298 120.5872 59.6219 32.0991 179.3127 62 Y 4.4224 7.9274 114.3544 58.6904 37.5768 178.2211 *64 S 4.3945 8.0321 116.8546 58.5378 64.8840 175.7143 65 D 4.4572 8.5311 119.9600 56.5452 40.7602 177.6983 66 L 4.2637 7.5781 118.8036 57.3831 42.0957 178.3320 67 E 4.0796 8.3044 117.1219 59.3427 29.5235 177.2994 68 L 3.9508 7.5838 121.6795 57.2234 41.4400 177.5787 69 S 4.5003 8.7616 117.8043 58.3687 62.9042 168.8019 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 A 8.26 4.17 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 5 A 8.54 3.98 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 6 D 9.22 4.76 0.00 2.79 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 7 T 7.29 4.43 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 1.22 0.00 0.00 8 P 0.00 4.35 0.00 2.07 2.05 0.00 3.64 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 2.03 2.12 0.00 9 T 8.19 4.46 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 1.22 0.00 0.00 10 A 8.60 4.25 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 11 C 8.53 4.95 0.00 2.79 2.35 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 12 C 8.20 4.75 0.00 2.78 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 13 F 8.42 4.53 0.00 2.98 2.95 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 14 S 7.35 4.39 0.00 3.89 3.75 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 15 Y 8.01 4.99 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.56 4.17 4.43 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 1.63 0.00 0.00 17 S 8.48 4.70 0.00 4.04 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 18 R 7.98 3.82 0.00 1.80 1.86 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 19 Q 8.08 2.52 0.00 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.97 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 20 I 6.82 3.89 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 1.04 0.00 0.00 21 P 0.00 3.95 0.00 0.49 1.25 0.00 3.38 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 1.12 1.65 0.00 22 Q 8.66 3.21 0.00 1.47 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.09 1.56 0.00 23 N 7.67 4.54 0.00 2.89 2.87 0.00 0.00 6.07 7.43 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 24 F 8.32 4.65 0.00 3.15 3.04 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 0.00 0.00 0.00 0.00 25 I 7.36 4.55 1.85 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.48 1.07 0.00 0.00 26 A 8.64 4.72 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 27 D 7.94 4.72 0.00 2.79 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 28 Y 8.47 5.84 0.00 2.68 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 29 F 7.51 3.89 0.00 2.83 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 30 E 8.93 4.84 0.00 1.93 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 2.39 2.43 0.00 31 T 8.22 4.66 4.38 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 1.18 0.00 0.00 32 S 8.70 4.22 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.47 4.31 0.00 4.02 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 34 Q 7.81 4.13 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 C 7.65 4.53 0.00 3.07 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 36 S 8.50 4.02 0.00 4.05 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 37 K 7.19 4.67 0.00 1.78 1.73 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.42 7.81 38 P 0.00 4.44 0.00 2.02 1.96 0.00 3.80 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 2.03 2.08 0.00 39 G 7.92 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 0.00 0.00 0.00 0.00 40 V 8.17 4.69 1.59 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 0.33 0.00 0.00 0.72 0.00 0.00 41 I 7.82 4.71 0.63 0.00 0.00 0.55 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 0.12 0.80 0.00 0.00 42 F 8.78 5.15 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.93 5.23 0.00 1.88 1.65 1.05 0.66 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 44 T 8.69 4.93 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 K 9.01 4.12 0.00 1.74 1.91 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.65 7.81 46 R 7.88 4.28 0.00 1.73 1.91 0.00 3.16 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 47 S 8.16 4.17 0.00 4.08 4.09 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 48 R 7.95 4.14 0.00 1.92 1.83 0.00 3.15 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 49 Q 8.54 5.16 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.46 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 50 V 8.79 4.57 2.32 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 1.19 0.00 0.00 1.06 0.00 0.00 51 C 8.94 5.12 0.00 2.99 3.10 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 0.00 0.00 0.00 52 A 9.28 5.32 1.26 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 0.00 0.00 0.00 53 D 8.08 4.06 0.00 1.93 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 0.00 0.00 0.00 0.00 54 P 0.00 4.10 0.00 1.95 1.95 0.00 3.43 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 55 S 7.74 4.34 0.00 3.92 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 56 E 7.36 4.56 0.00 1.75 1.61 0.00 0.00 0.00 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 2.18 0.00 57 E 8.87 4.14 0.00 2.18 2.20 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 2.40 2.33 0.00 58 W 7.98 4.05 0.00 3.10 3.15 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 0.00 0.00 0.00 0.00 59 V 6.29 3.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 0.64 0.00 0.00 60 Q 7.50 4.01 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 61 K 8.03 4.12 0.00 1.87 1.91 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.24 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.54 7.81 62 Y 7.93 4.42 0.00 3.18 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 *64 S 8.03 4.39 0.00 4.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.53 4.46 0.00 2.69 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 66 L 7.58 4.26 0.00 1.67 1.89 1.19 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.30 4.08 0.00 2.16 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 0.00 2.45 2.38 0.00 68 L 7.58 3.95 0.00 1.67 1.66 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.76 4.50 0.00 4.08 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 0.00 * Residues marked with a * may have inaccurate shift predictions.