NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 R 4.3138 8.3545 119.0729 56.1257 30.8494 179.0091 36 N 4.6462 9.2458 110.8453 52.7790 36.4302 173.2202 37 V 4.4443 7.3549 124.7305 60.6532 33.8377 176.5439 38 E 3.7072 9.2302 115.8894 56.8394 28.2017 177.7144 39 V 3.9427 7.8802 122.8364 63.2047 31.1288 178.3314 40 L 4.1264 7.8451 121.3601 56.5096 40.6687 180.0901 41 K 4.3315 7.4519 119.7733 54.1175 34.8368 176.9035 42 R 4.0379 8.0982 122.1664 57.0820 29.5319 178.9669 *43 F 4.2565 8.8275 123.8169 57.9455 38.1473 173.1522 44 L 4.2842 7.7790 120.6261 56.7022 41.2634 182.5941 45 S 4.2573 8.0467 116.0629 60.3037 60.8030 179.8429 46 E 4.5524 8.5672 122.6791 55.9637 30.0894 176.4872 47 T 4.2559 7.5436 111.0185 64.1465 69.4544 181.3589 48 G 3.9529 7.6788 115.9395 45.0302 0.0000 174.9277 49 K 4.4712 8.0214 127.1933 55.9480 31.6675 180.2168 50 I 4.0208 8.1096 121.1345 62.6511 35.4434 180.0291 51 L 4.5879 7.1487 121.1607 52.7403 40.4259 179.9692 52 P 4.3037 0.0000 0.0000 62.0032 31.2479 176.3785 53 R 4.8742 7.6394 122.2680 56.0521 31.2738 172.2938 54 R 4.6845 8.2551 124.1927 54.4200 33.2984 174.8651 55 R 3.7207 9.0628 116.6401 55.1692 28.7180 182.4481 56 T 3.3622 8.1478 112.8330 64.1444 68.0743 173.3323 57 G 4.4325 8.1119 113.1163 48.3100 0.0000 173.6650 58 L 4.4004 7.7716 120.5264 53.3546 44.6987 185.0000 59 S 3.6399 8.5006 115.6112 57.8872 61.4759 176.5403 60 G 4.0186 9.5648 101.8868 47.5097 0.0000 176.2996 61 K 3.5596 8.8679 125.0037 55.8242 31.0578 174.7748 62 E 4.2652 8.7148 116.4621 58.6839 30.4275 174.4453 63 Q 4.6583 8.5538 120.3294 54.1281 30.8618 177.1238 64 R 4.0952 8.2256 125.1995 63.1914 29.4071 183.4529 65 I 4.2249 7.8359 122.3148 65.0176 35.6158 180.8431 66 L 4.3085 7.7550 121.3162 59.2155 41.0858 183.2490 67 A 4.2610 8.4271 123.8105 56.1104 18.2731 180.6473 68 K 4.0766 7.8260 123.4364 60.6103 31.6700 181.6830 69 T 4.1317 7.5368 116.8123 66.8738 68.3287 179.7561 70 I 3.9854 7.9720 125.3461 65.7199 35.2724 181.1367 71 K 4.2757 8.1000 127.6813 60.2562 31.2489 181.8902 72 R 4.2578 8.1433 120.8714 61.1902 29.5935 180.9947 73 A 4.4048 8.2706 123.5927 55.7834 18.2304 180.5406 74 R 4.3254 8.3053 120.9956 62.2110 29.4423 181.3352 75 I 4.2304 7.5119 118.8672 65.1585 35.5296 180.8911 76 L 4.8361 8.0460 120.2201 56.8122 43.4544 182.7768 77 G 4.3353 7.4107 108.2410 45.4521 0.0000 174.8419 78 L 4.4391 7.3755 119.1392 52.8447 43.1492 177.7703 79 L 3.8843 8.2751 128.8403 53.5979 39.7360 172.9775 80 P 4.8033 0.0000 0.0000 61.7131 31.6642 175.7189 *81 F 4.0995 8.3973 118.8292 60.7247 37.0532 180.0038 82 T 4.6126 8.6276 111.3115 63.0530 74.7447 174.3095 83 E 3.9520 8.4976 125.7282 55.5086 29.7351 177.1685 84 K 4.2632 8.2817 121.0247 54.7065 32.7652 175.8375 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 R 8.35 4.31 0.00 1.85 1.62 0.00 3.24 0.00 0.00 3.22 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 36 N 9.25 4.65 0.00 2.82 2.68 0.00 0.00 6.20 6.79 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 37 V 7.35 4.44 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 0.70 0.00 0.00 0.93 0.00 0.00 38 E 9.23 3.71 0.00 2.11 1.91 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 0.00 2.14 1.85 0.00 39 V 7.88 3.94 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 0.78 0.00 0.00 0.93 0.00 0.00 40 L 7.85 4.13 0.00 1.65 1.66 0.92 0.65 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 41 K 7.45 4.33 0.00 1.73 1.56 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.10 0.80 7.81 42 R 8.10 4.04 0.00 1.73 1.86 0.00 3.22 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 *43 F 8.83 4.26 0.00 2.29 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 0.00 0.00 0.00 0.00 44 L 7.78 4.28 0.00 1.65 1.60 0.92 0.78 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 45 S 8.05 4.26 0.00 3.60 3.76 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 46 E 8.57 4.55 0.00 1.96 1.85 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 2.14 1.84 0.00 47 T 7.54 4.26 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 48 G 7.68 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 0.00 0.00 0.00 49 K 8.02 4.47 0.00 1.70 1.79 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.00 7.81 50 I 8.11 4.02 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 1.16 1.10 0.91 0.00 0.00 51 L 7.15 4.59 0.00 1.72 1.50 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.30 0.00 2.08 1.88 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 1.94 1.59 0.00 53 R 7.64 4.87 0.00 1.81 1.76 0.00 3.17 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 0.00 54 R 8.26 4.68 0.00 1.78 1.68 0.00 3.39 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.00 55 R 9.06 3.72 0.00 1.96 1.70 0.00 3.38 0.00 0.00 3.26 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 56 T 8.15 3.36 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 57 G 8.11 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 0.00 0.00 0.00 0.00 58 L 7.77 4.40 0.00 1.66 1.47 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.50 3.64 0.00 3.73 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.56 4.02 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 0.00 0.00 0.00 61 K 8.87 3.56 0.00 1.86 1.55 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 0.98 7.81 62 E 8.71 4.27 0.00 1.98 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 0.00 2.23 1.87 0.00 63 Q 8.55 4.66 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.25 1.89 0.00 64 R 8.23 4.10 0.00 1.81 1.97 0.00 3.21 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 65 I 7.84 4.22 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 1.50 0.54 0.91 0.00 0.00 66 L 7.76 4.31 0.00 1.65 1.69 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.43 4.26 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.08 0.00 1.89 1.83 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 69 T 7.54 4.13 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 70 I 7.97 3.99 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 1.38 0.53 0.91 0.00 0.00 71 K 8.10 4.28 0.00 1.79 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 72 R 8.14 4.26 0.00 1.88 1.88 0.00 3.23 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 73 A 8.27 4.40 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.31 4.33 0.00 1.90 1.88 0.00 3.27 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 75 I 7.51 4.23 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 1.38 1.10 0.91 0.00 0.00 76 L 8.05 4.84 0.00 1.67 1.50 0.92 0.77 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 77 G 7.41 4.34 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 0.00 78 L 7.38 4.44 0.00 1.62 1.45 0.92 0.91 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 79 L 8.28 3.88 0.00 1.66 1.56 0.92 0.88 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 80 P 0.00 4.80 0.00 2.08 1.94 0.00 3.73 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 1.91 1.58 0.00 *81 F 8.40 4.10 0.00 2.29 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 0.00 0.00 0.00 82 T 8.63 4.61 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 83 E 8.50 3.95 0.00 2.14 1.85 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 2.12 1.85 0.00 84 K 8.28 4.26 0.00 1.71 1.51 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.