NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.0403 8.0544 114.0541 61.6480 32.8659 174.3473 5 Q 3.9953 8.4223 122.6819 55.5822 29.0864 174.2346 *7 D 4.3290 7.7795 115.8180 53.7260 43.0047 175.0329 8 T 3.9262 8.2287 119.2198 64.5207 68.9626 175.9946 9 E 3.8873 8.2035 121.7821 59.0432 29.7557 178.0970 10 E 3.9448 8.2885 119.0314 59.4235 29.6081 179.0724 11 V 3.6810 7.8580 118.1284 66.0200 31.6428 178.0371 12 R 3.9397 8.4892 118.2356 59.5369 29.9944 178.8867 13 E 4.0252 8.3806 118.2050 59.3506 29.3777 179.2916 14 F 4.2119 8.2671 120.8084 61.1230 39.3955 177.3059 15 V 3.4847 8.2465 118.4237 65.9436 31.3183 178.1217 16 G 3.6492 8.0699 105.3277 45.9558 0.0000 175.1573 17 H 4.1873 7.9526 120.6199 58.7754 29.8449 176.7740 18 L 3.7685 7.8706 122.5573 58.3251 41.8221 178.8029 19 E 3.9587 8.3575 118.4002 59.6477 29.4349 179.6283 20 R 4.0529 8.0753 117.9131 59.1335 30.0516 179.0055 21 F 4.1569 8.7042 121.0443 61.2566 39.2205 177.4354 22 K 3.9405 8.6687 118.8041 59.9764 32.3305 178.9722 23 E 3.9676 8.3249 119.9630 58.9082 29.3421 178.9721 24 L 4.0336 8.0087 120.5300 58.2783 42.2388 179.1493 25 L 3.8684 7.7095 118.9901 57.4905 41.3791 179.5257 26 R 4.0462 7.7246 118.9728 59.2774 30.0601 178.3784 27 E 4.0742 8.2151 117.4803 59.2933 29.5540 178.9897 28 E 4.0679 8.4002 120.0308 59.0494 29.5182 179.4651 29 V 3.7031 8.0729 119.3415 64.5490 31.5398 178.3622 30 N 4.3146 8.2693 117.2323 56.1042 38.4074 176.9497 31 S 4.1130 8.0509 114.5360 61.5754 62.4676 175.9578 32 L 4.0324 8.2318 122.9855 58.4213 41.7589 178.9720 33 S 4.2654 8.3795 113.0737 61.4753 62.1022 175.8863 34 N 4.4564 8.4649 118.9303 56.2420 38.5371 176.7456 35 H 4.3915 8.3776 119.8355 59.2417 29.9472 176.9153 36 F 4.2522 8.4460 122.4452 61.8327 39.0750 176.1543 37 H 4.3606 8.3876 111.9017 56.4156 28.7156 175.7927 38 N 4.9911 7.6894 118.2599 52.2603 39.4759 174.1190 39 L 4.0869 7.3052 119.4873 55.8123 41.3552 176.8019 40 E 4.1150 8.7858 125.0129 58.6356 29.7091 178.3248 41 S 4.4331 8.0217 110.6495 58.0398 63.9080 173.3605 42 W 4.9556 7.9930 132.0033 56.2634 30.9303 176.2758 43 R 4.3572 8.2965 122.6627 55.0129 29.3321 175.6990 44 D 4.6827 7.9563 120.3078 53.5182 42.6002 175.1987 45 A 4.3325 8.4045 119.1734 54.1102 18.4629 179.8462 46 R 3.9848 7.9891 117.0809 59.0530 30.4026 178.4467 47 R 2.5100 7.5683 118.4080 59.2421 29.7964 178.2946 48 D 4.3118 7.6476 118.5443 57.2323 40.6239 178.8959 49 K 4.0510 7.8251 119.2191 58.9806 32.0361 179.0633 50 F 4.1759 8.3088 121.1234 60.7810 39.3904 177.1772 51 S 3.8183 8.3192 113.1068 61.5130 62.1005 176.1091 52 E 3.9602 7.6872 120.3001 58.9382 29.2126 179.1272 53 V 3.4098 7.1883 118.4938 65.6978 31.4416 177.8526 54 L 3.4943 7.6761 120.3511 58.0979 41.9657 178.7732 55 D 4.2408 7.7807 118.6344 56.9045 40.2522 177.8772 56 N 4.5310 7.8844 115.9245 54.4217 38.7455 177.1616 57 L 3.7599 7.1693 122.5367 57.8018 42.1765 178.8576 58 K 3.6590 7.8540 118.5103 59.3891 32.0281 179.6111 59 S 4.1416 7.8896 115.2608 61.8294 62.6704 176.8556 60 T 3.9957 7.6081 117.9102 66.5408 68.1077 176.7409 61 F 4.4938 8.4773 119.8565 61.0139 39.0699 177.6235 62 N 4.3289 8.3893 115.6439 55.9910 38.2295 177.4443 63 E 4.0455 8.2896 120.3412 59.1399 29.5822 178.7912 64 F 4.1864 8.6416 120.9719 61.2446 39.3732 176.3940 65 D 4.2750 9.0410 118.2484 57.4829 40.8599 178.0280 66 E 3.8536 8.1245 119.1835 59.2966 29.7039 178.6267 67 A 4.1690 8.2903 121.8635 54.4395 18.3181 179.3885 68 A 3.6643 8.0744 119.5496 55.4198 18.5328 179.7458 69 Q 3.9206 8.1979 117.0141 59.1639 28.2613 179.1929 70 E 4.0596 8.0228 118.4577 59.4102 29.7286 179.2137 71 Q 4.1423 8.0663 118.9824 58.7843 28.7097 178.6822 72 I 3.7424 8.1543 120.9336 64.2424 37.1481 178.2626 73 A 4.0004 7.9588 121.2386 54.8816 18.2372 179.4564 74 W 4.1173 8.2036 126.5796 60.7480 30.8120 178.0554 75 L 3.7310 8.3592 118.9778 57.8625 40.8592 179.8099 76 K 3.9298 8.0690 117.3805 59.1216 31.8885 178.8863 77 E 3.9726 8.1525 119.6482 59.4093 29.6308 178.8025 78 R 3.6225 7.7935 118.4462 59.5344 29.8257 178.9986 79 I 3.7755 7.4723 118.2912 64.1925 37.0824 176.0965 80 R 4.3903 7.4841 122.8840 57.4449 30.2755 174.0674 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 V 8.05 4.04 2.06 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 0.84 0.00 0.00 0.92 0.00 0.00 5 Q 8.42 4.00 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 *7 D 7.78 4.33 0.00 2.77 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 8 T 8.23 3.93 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 1.17 0.00 0.00 9 E 8.20 3.89 0.00 2.10 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 2.38 2.59 0.00 10 E 8.29 3.94 0.00 2.13 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 2.33 2.34 0.00 11 V 7.86 3.68 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 1.01 0.00 0.00 12 R 8.49 3.94 0.00 2.11 1.99 0.00 3.18 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 1.66 1.68 0.00 13 E 8.38 4.03 0.00 2.22 2.06 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 2.35 2.34 0.00 14 F 8.27 4.21 0.00 3.19 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 15 V 8.25 3.48 2.22 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 1.03 0.00 0.00 1.06 0.00 0.00 16 G 8.07 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.95 4.19 0.00 3.30 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.87 3.77 0.00 1.09 1.54 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.36 3.96 0.00 2.20 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 2.32 2.43 0.00 20 R 8.08 4.05 0.00 2.06 2.02 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 21 F 8.70 4.16 0.00 3.16 3.27 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 22 K 8.67 3.94 0.00 2.12 2.30 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.64 1.51 7.81 23 E 8.32 3.97 0.00 2.10 2.03 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 2.33 2.46 0.00 24 L 8.01 4.03 0.00 1.83 1.71 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.71 3.87 0.00 1.40 1.35 0.21 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.72 4.05 0.00 1.96 1.93 0.00 3.18 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 27 E 8.22 4.07 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 28 E 8.40 4.07 0.00 2.07 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 2.49 2.44 0.00 29 V 8.07 3.70 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 0.92 0.00 0.00 0.65 0.00 0.00 30 N 8.27 4.31 0.00 2.95 2.93 0.00 0.00 6.55 7.45 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 31 S 8.05 4.11 0.00 4.03 4.04 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 32 L 8.23 4.03 0.00 1.84 1.69 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.38 4.27 0.00 3.99 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 34 N 8.46 4.46 0.00 2.92 2.92 0.00 0.00 6.99 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.38 4.39 0.00 3.41 3.54 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.45 4.25 0.00 3.27 3.26 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 37 H 8.39 4.36 0.00 3.28 3.32 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.69 4.99 0.00 2.96 3.00 0.00 0.00 7.14 7.91 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 39 L 7.31 4.09 0.00 1.64 1.65 1.05 1.61 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 40 E 8.79 4.11 0.00 1.96 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 2.31 2.24 0.00 41 S 8.02 4.43 0.00 4.01 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 42 W 7.99 4.96 0.00 3.14 3.11 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 43 R 8.30 4.36 0.00 1.84 1.85 0.00 3.09 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 44 D 7.96 4.68 0.00 3.02 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 45 A 8.40 4.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.98 0.00 2.41 2.32 0.00 3.41 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 47 R 7.57 2.51 0.00 0.67 1.48 0.00 2.96 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.36 0.00 48 D 7.65 4.31 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.05 0.00 1.93 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.62 7.81 50 F 8.31 4.18 0.00 3.31 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 51 S 8.32 3.82 0.00 4.26 4.03 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 52 E 7.69 3.96 0.00 2.13 1.90 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 2.27 2.28 0.00 53 V 7.19 3.41 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 0.74 0.00 0.00 0.92 0.00 0.00 54 L 7.68 3.49 0.00 1.13 1.38 0.60 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.78 4.24 0.00 2.78 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 56 N 7.88 4.53 0.00 2.65 2.78 0.00 0.00 6.52 6.70 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 57 L 7.17 3.76 0.00 1.54 1.46 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.85 3.66 0.00 1.71 1.75 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.46 7.81 59 S 7.89 4.14 0.00 3.87 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 60 T 7.61 4.00 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 1.36 0.00 0.00 61 F 8.48 4.49 0.00 3.12 3.11 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 62 N 8.39 4.33 0.00 2.81 2.92 0.00 0.00 7.12 7.79 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 63 E 8.29 4.05 0.00 2.30 2.06 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 2.36 2.42 0.00 64 F 8.64 4.19 0.00 3.20 3.36 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 65 D 9.04 4.27 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 66 E 8.12 3.85 0.00 2.10 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 0.00 2.29 2.31 0.00 67 A 8.29 4.17 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 68 A 8.07 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.20 3.92 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 70 E 8.02 4.06 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 71 Q 8.07 4.14 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 72 I 8.15 3.74 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.63 0.92 0.00 0.00 73 A 7.96 4.00 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 74 W 8.20 4.12 0.00 3.43 3.46 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 0.00 75 L 8.36 3.73 0.00 1.94 1.73 1.16 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.07 3.93 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.56 7.81 77 E 8.15 3.97 0.00 2.10 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 2.20 2.29 0.00 78 R 7.79 3.62 0.00 1.44 1.59 0.00 2.91 0.00 0.00 2.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 79 I 7.47 3.78 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.87 0.00 0.00 80 R 7.48 4.39 0.00 1.68 1.69 0.00 3.11 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.