NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 F 4.8356 8.3201 115.9243 56.7039 38.9396 176.4145 36 A 4.4123 8.5941 121.4232 47.3446 21.3356 174.9638 37 C 4.1482 8.6300 118.6328 58.1978 32.3746 173.0667 38 V 3.4252 8.1376 123.6949 66.3888 31.1002 177.7185 39 E 3.8611 8.0898 118.0274 59.9032 29.3980 178.5810 40 C 4.1514 8.0141 117.0946 62.3574 28.1906 176.3022 41 R 4.0121 8.4070 119.7696 59.1159 29.4095 178.8038 42 Q 4.0773 8.2155 118.7659 59.2966 29.2233 177.6757 43 Q 4.3006 7.9380 115.5119 54.3702 29.6053 175.9221 44 K 3.8618 7.5019 118.3652 57.8225 30.4706 174.7733 45 S 4.7429 8.2977 114.5505 56.2532 65.8208 174.4691 46 K 3.7311 8.6356 123.0782 55.5614 31.5817 176.0219 47 C 4.7614 8.7360 126.5935 57.3621 33.5872 174.3358 48 D 5.3298 8.4696 123.6847 50.8297 39.4048 172.9036 49 A 4.1721 7.7899 128.3806 53.5382 18.9425 180.8152 50 C 3.7007 7.6089 113.6448 59.3417 31.1154 178.2758 51 E 3.4395 8.7895 114.8155 60.6680 28.6565 179.0254 52 R 4.3232 5.8400 121.5702 58.8659 29.5153 180.0709 53 A 4.1235 7.0621 126.8908 49.6694 22.6519 178.1255 *54 P 4.3491 0.0000 0.0000 66.0113 31.0569 174.5364 55 E 4.1264 7.5644 112.2848 55.5455 29.8922 179.9969 56 P 4.3092 0.0000 0.0000 61.1163 32.0692 175.7036 57 C 3.9533 8.5628 114.7373 59.0985 29.2767 174.3908 58 T 3.8991 8.5793 120.7870 67.8283 67.9935 177.0973 59 K 4.0745 8.0703 124.4113 60.4014 31.7614 180.2900 60 C 4.5373 7.8241 114.9841 61.7659 27.8221 175.0621 61 A 4.3091 9.5934 127.2536 53.5819 17.9254 180.2755 62 K 4.0508 7.8645 124.8857 60.2667 32.3460 181.4512 63 K 4.3405 7.9707 123.9002 56.6529 32.9612 177.7660 64 N 4.3567 8.4609 117.1215 54.1491 36.8859 172.9392 65 V 4.4308 7.9929 112.1600 58.2464 36.3304 173.7551 66 P 4.2576 0.0000 0.0000 63.1086 30.3249 176.8834 67 C 4.3287 8.2984 127.9356 59.2683 29.6968 173.7727 68 I 4.0907 7.4474 121.5960 59.1718 36.3563 175.6031 69 L 5.2110 8.1798 122.9428 53.7332 41.9969 177.1908 70 K 4.5477 7.9981 126.9465 52.9080 30.9521 178.6558 71 R 3.9518 7.9494 123.4364 58.3557 30.0028 177.1158 72 D 4.9489 8.0316 114.6568 53.5036 39.9142 175.7787 73 F 4.9272 8.4084 121.6985 57.6931 40.7981 175.4004 74 R 3.9834 6.7793 124.1710 53.8107 33.1867 175.1442 75 R 4.0296 7.9510 119.1985 56.7734 29.7586 175.8454 76 T 4.4786 8.5340 116.8436 63.1346 70.2002 175.8025 77 Y 4.0733 8.6327 124.9094 57.7598 36.1792 176.3338 78 K 4.2370 6.9004 120.0734 58.6679 33.0193 177.8105 79 R 3.5303 8.5312 113.9864 60.0631 29.7898 178.2258 80 A 4.0064 8.3578 121.2554 56.2788 19.4611 178.8194 81 R 3.7374 8.8161 116.8067 59.3087 29.8358 177.7773 82 N 4.1947 8.7938 116.2121 56.7856 39.1387 176.9837 83 E 3.9625 8.3495 120.2371 59.0812 29.6516 178.7110 84 A 3.9707 8.7797 121.1474 55.9240 18.4693 179.2464 85 I 3.4717 7.7628 116.2816 64.8114 37.2585 177.2762 86 E 3.9492 8.9690 119.9458 59.5660 29.0971 179.3320 87 K 3.9397 7.8953 118.8251 60.1973 31.9132 178.2895 88 R 3.9580 8.5913 118.6245 59.0022 29.7197 178.5874 89 F 4.0301 8.8706 124.3923 62.9631 39.8332 177.7336 90 K 3.9634 9.0046 125.4662 59.2352 31.0886 182.5242 91 E 3.9961 8.3861 118.3003 61.5278 30.3514 182.5409 92 L 4.0286 7.7366 123.0685 59.3417 41.1059 181.8333 93 T 3.9318 8.2483 113.8422 65.3633 68.5190 177.3632 94 R 4.6358 7.8901 125.5496 60.4639 29.4535 180.9950 95 T 4.3214 8.1589 115.7723 67.3323 68.4820 182.7986 96 L 4.0002 7.6809 123.7379 58.8296 41.0714 180.5149 97 T 4.4524 8.0465 115.4656 66.5429 68.2086 175.1056 98 N 4.9418 9.0364 118.3462 53.0773 41.0644 180.4864 99 L 4.2392 8.2167 122.4569 54.9004 40.8537 179.4877 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 F 8.32 4.84 0.00 3.23 2.44 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 36 A 8.59 4.41 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 37 C 8.63 4.15 0.00 3.05 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 38 V 8.14 3.43 1.80 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 -0.18 0.00 0.00 0.76 0.00 0.00 39 E 8.09 3.86 0.00 2.04 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 2.35 2.46 0.00 40 C 8.01 4.15 0.00 3.13 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 41 R 8.41 4.01 0.00 2.33 2.19 0.00 3.49 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 42 Q 8.22 4.08 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.17 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 43 Q 7.94 4.30 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.41 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 44 K 7.50 3.86 0.00 1.84 1.83 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.30 7.81 45 S 8.30 4.74 0.00 3.92 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 46 K 8.64 3.73 0.00 1.79 1.70 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.03 7.81 47 C 8.74 4.76 0.00 2.86 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 48 D 8.47 5.33 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 4.17 1.09 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 0.00 0.00 50 C 7.61 3.70 0.00 2.76 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 51 E 8.79 3.44 0.00 2.05 1.79 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 2.41 2.42 0.00 52 R 5.84 4.32 0.00 1.66 1.78 0.00 3.28 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 53 A 7.06 4.12 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 *54 P 0.00 4.35 0.00 2.10 2.00 0.00 3.75 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 1.60 0.00 55 E 7.56 4.13 0.00 2.08 1.79 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 2.26 2.15 0.00 56 P 0.00 4.31 0.00 2.00 2.02 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 57 C 8.56 3.95 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.90 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 59 K 8.07 4.07 0.00 1.76 1.85 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.13 7.81 60 C 7.82 4.54 0.00 3.16 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 61 A 9.59 4.31 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 62 K 7.86 4.05 0.00 1.87 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.13 7.81 63 K 7.97 4.34 0.00 1.87 1.75 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.31 7.81 64 N 8.46 4.36 0.00 2.83 2.81 0.00 0.00 6.99 7.76 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 65 V 7.99 4.43 2.04 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 0.73 0.00 0.00 0.89 0.00 0.00 66 P 0.00 4.26 0.00 1.99 2.01 0.00 3.63 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 1.99 2.04 0.00 67 C 8.30 4.33 0.00 2.88 2.81 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 68 I 7.45 4.09 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 1.41 0.56 0.91 0.00 0.00 69 L 8.18 5.21 0.00 1.63 1.81 0.11 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.00 4.55 0.00 1.67 1.70 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 0.98 7.81 71 R 7.95 3.95 0.00 1.83 1.88 0.00 3.22 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 72 D 8.03 4.95 0.00 2.80 2.79 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 73 F 8.41 4.93 0.00 3.02 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 74 R 6.78 3.98 0.00 1.55 1.59 0.00 3.24 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 75 R 7.95 4.03 0.00 1.94 2.07 0.00 2.93 0.00 0.00 3.02 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.36 0.00 76 T 8.53 4.48 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 1.28 0.00 0.00 77 Y 8.63 4.07 0.00 3.09 2.99 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 78 K 6.90 4.24 0.00 1.76 1.73 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.63 1.47 7.81 79 R 8.53 3.53 0.00 1.94 1.82 0.00 3.28 0.00 0.00 3.35 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 80 A 8.36 4.01 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 81 R 8.82 3.74 0.00 1.95 2.12 0.00 3.33 0.00 0.00 3.19 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 82 N 8.79 4.19 0.00 2.85 2.89 0.00 0.00 6.84 7.73 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 83 E 8.35 3.96 0.00 2.17 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 2.32 2.34 0.00 84 A 8.78 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.76 3.47 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.97 0.92 0.00 0.00 86 E 8.97 3.95 0.00 1.99 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 2.38 2.39 0.00 87 K 7.90 3.94 0.00 1.93 2.03 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 88 R 8.59 3.96 0.00 2.09 1.95 0.00 3.25 0.00 0.00 3.12 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 89 F 8.87 4.03 0.00 3.01 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 90 K 9.00 3.96 0.00 1.82 1.65 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.33 7.81 91 E 8.39 4.00 0.00 2.00 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 2.25 2.26 0.00 92 L 7.74 4.03 0.00 1.65 1.71 0.92 0.64 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 93 T 8.25 3.93 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 0.80 0.00 0.00 94 R 7.89 4.64 0.00 1.93 1.90 0.00 3.16 0.00 0.00 3.92 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.13 0.00 95 T 8.16 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 96 L 7.68 4.00 0.00 1.74 1.62 0.92 0.84 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 97 T 8.05 4.45 4.40 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 1.20 0.00 0.00 98 N 9.04 4.94 0.00 2.64 2.46 0.00 0.00 6.82 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.22 4.24 0.00 1.65 1.49 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.