NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4425 8.1633 118.3246 55.2529 33.6660 173.6182 2 Q 4.7459 8.2413 119.1512 52.7554 30.6676 173.3483 3 I 4.4091 9.1972 118.2026 58.8768 42.1481 173.7827 4 F 5.5583 8.7015 120.7517 55.7441 42.3133 174.9177 5 V 4.8738 8.7732 121.4489 61.0788 34.5313 173.9783 6 K 4.9387 9.2899 129.7446 55.4446 33.9703 175.6647 7 T 4.1006 8.4316 116.3120 63.0957 70.7022 174.6265 *11 K 4.0394 7.7682 123.8989 55.8311 33.6503 173.7258 12 T 5.1528 8.5742 124.2798 61.9862 70.1982 174.1204 13 I 4.6376 8.7096 119.6901 59.4837 41.1469 174.3203 14 T 5.2623 8.4719 118.8046 61.8294 70.9775 173.6693 15 L 4.7821 8.7693 125.7555 52.7730 45.3713 175.0844 16 E 4.7344 8.7200 124.2012 55.4865 30.3176 175.4684 17 V 4.7243 8.7415 119.6741 59.8276 36.3026 174.4829 18 E 4.6488 9.4860 121.0295 53.9848 31.9054 175.7835 19 P 4.1210 0.0000 0.0000 65.8771 31.5046 178.0557 20 S 4.4603 7.8590 109.1439 58.6358 63.8419 174.0120 21 D 4.5398 8.0818 123.6915 54.6407 41.2428 176.4191 22 T 4.7312 8.5059 114.4847 61.1347 71.1760 176.0454 23 I 3.7594 8.3127 122.2977 64.4531 36.9171 178.7580 24 E 3.9505 8.1340 119.0492 59.4244 29.4031 178.6845 25 N 4.2709 8.0386 116.3460 56.4601 38.6450 177.5676 26 V 3.5438 7.8257 119.2571 66.0280 31.6596 178.1156 27 K 4.4583 8.5613 119.5116 58.8523 31.7574 179.1144 28 A 3.9950 8.2267 121.0810 55.2287 18.4600 179.8779 29 K 3.9231 8.0253 116.9087 59.6650 32.0762 179.7073 30 I 3.8266 7.9946 120.1846 63.9120 36.9470 178.2611 31 Q 4.0559 8.0541 121.9909 58.9198 28.7733 177.6837 32 D 4.3883 8.0680 118.8293 57.3786 40.9436 178.6598 33 K 4.1951 7.8003 118.0994 58.3404 32.5005 177.6738 34 E 4.6288 8.6717 116.4064 55.1034 30.4650 177.5531 35 G 3.8298 8.5334 107.3864 45.5766 0.0000 173.5342 36 I 4.0909 7.0916 122.2193 59.4479 37.9420 173.8699 37 P 4.4718 0.0000 0.0000 61.8111 32.1199 175.3119 38 P 4.2339 0.0000 0.0000 65.8206 31.3743 178.2622 39 D 4.3941 8.1102 115.6120 55.9375 39.2253 177.1936 40 Q 4.2098 8.0283 117.7228 56.9130 29.5603 175.7032 41 Q 4.3312 8.0546 118.8313 54.6734 29.9075 174.3018 42 R 4.8480 8.7094 123.3373 54.5174 32.7151 174.0468 43 L 5.2126 8.5039 126.1097 53.1241 44.3815 175.3709 44 I 5.0222 8.7016 123.9422 59.4764 40.9762 174.4380 45 F 4.9743 8.8589 127.7717 56.7849 42.7335 174.3950 46 A 3.7199 8.7893 129.4638 53.3914 15.7303 176.6783 47 G 3.9487 8.1244 102.4297 46.8162 0.0000 173.4860 48 K 4.4947 7.6212 119.2631 53.7980 34.9610 174.8815 49 Q 4.5072 8.6464 127.7836 56.0366 29.6497 175.1772 50 L 3.9788 8.6381 127.4834 54.3712 42.2514 176.1323 51 E 4.7020 9.3948 123.2798 54.4998 31.6977 175.6497 52 D 4.4653 8.7548 123.1613 56.4207 41.3766 177.2268 53 G 4.0143 10.5374 112.1545 45.1364 0.0000 173.7759 54 R 4.6315 7.5525 117.7028 54.7240 31.8478 175.7446 55 T 4.8952 8.1437 110.4601 59.9658 71.0309 175.9733 56 L 4.2518 8.5948 122.5458 57.9827 42.0124 180.2379 57 S 4.1368 8.2565 113.2828 61.3044 63.0317 176.0832 58 D 4.2215 7.7702 119.7906 57.0253 40.5268 176.9120 59 Y 4.5975 7.2044 114.1820 57.1653 38.0072 175.1078 60 N 4.2881 7.9716 115.9626 54.2161 36.7480 174.3762 61 I 3.5599 7.4762 119.0059 61.0036 37.7943 175.6046 62 Q 4.4643 8.7077 122.0100 54.0629 31.7200 173.7099 63 K 3.9052 8.4957 116.2887 59.0253 32.3525 176.3840 64 E 3.5418 9.0681 120.1397 56.8631 27.8977 174.8399 65 S 4.5060 8.0515 116.0746 59.2340 64.1953 173.3293 66 T 5.1434 8.7553 119.3512 62.0394 70.4982 173.6896 67 L 4.9321 9.2548 127.0242 53.8324 44.3411 175.1865 68 H 5.2583 9.0880 119.6490 54.0743 31.1495 173.2500 69 L 4.7976 8.9362 126.7221 53.8674 43.2102 176.4901 70 V 4.0927 8.9465 125.9439 63.0308 31.8357 175.0152 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 8.16 4.44 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 2 Q 8.24 4.75 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 3 I 9.20 4.41 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.78 0.00 0.00 4 F 8.70 5.56 0.00 3.07 2.88 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 5 V 8.77 4.87 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 1.03 0.00 0.00 0.94 0.00 0.00 6 K 9.29 4.94 0.00 1.70 1.52 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.33 7.81 7 T 8.43 4.10 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 1.28 0.00 0.00 *11 K 7.77 4.04 0.00 1.89 1.78 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 12 T 8.57 5.15 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 13 I 8.71 4.64 1.91 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 1.27 1.23 0.93 0.00 0.00 14 T 8.47 5.26 4.32 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 0.00 0.00 0.00 1.30 0.00 0.00 15 L 8.77 4.78 0.00 1.49 1.48 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.72 4.73 0.00 1.94 1.83 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 2.22 2.29 0.00 17 V 8.74 4.72 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.49 4.65 0.00 1.79 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 0.00 2.20 2.38 0.00 19 P 0.00 4.12 0.00 2.14 2.10 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 20 S 7.86 4.46 0.00 3.96 3.96 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 21 D 8.08 4.54 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.73 4.44 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 1.21 0.00 0.00 23 I 8.31 3.76 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.09 0.91 0.00 0.00 24 E 8.13 3.95 0.00 2.06 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 2.41 2.63 0.00 25 N 8.04 4.27 0.00 3.08 2.87 0.00 0.00 6.70 7.54 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 26 V 7.83 3.54 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 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.56 4.46 0.00 1.99 1.85 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.52 7.81 28 A 8.23 4.00 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 29 K 8.03 3.92 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.67 7.81 30 I 7.99 3.83 2.14 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 0.69 0.92 0.00 0.00 31 Q 8.05 4.06 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 8.07 4.39 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.20 0.00 1.87 1.82 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 E 8.67 4.63 0.00 2.13 1.92 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 2.22 2.28 0.00 35 G 8.53 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 0.00 0.00 0.00 36 I 7.09 4.09 1.87 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 1.30 1.30 0.91 0.00 0.00 37 P 0.00 4.47 0.00 2.35 1.97 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.23 0.00 2.17 2.13 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.11 4.39 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.03 4.21 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 41 Q 8.05 4.33 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 42 R 8.71 4.85 0.00 2.00 1.75 0.00 3.11 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 43 L 8.50 5.21 0.00 1.58 1.51 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.70 5.02 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.08 0.92 0.00 0.00 45 F 8.86 4.97 0.00 2.98 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 3.72 0.75 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 0.00 0.00 47 G 8.12 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 48 K 7.62 4.49 0.00 1.78 1.76 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.23 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.38 7.81 49 Q 8.65 4.51 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.64 3.98 0.00 1.39 1.22 0.70 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.39 4.70 0.00 2.02 1.92 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 2.32 2.40 0.00 52 D 8.75 4.47 0.00 2.69 2.65 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 53 G 10.54 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.55 4.63 0.00 2.08 1.77 0.00 3.19 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 55 T 8.14 4.90 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 1.25 0.00 0.00 56 L 8.59 4.25 0.00 1.84 1.69 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.26 4.14 0.00 3.99 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 58 D 7.77 4.22 0.00 2.55 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 0.00 0.00 0.00 0.00 59 Y 7.20 4.60 0.00 3.24 3.01 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 0.00 0.00 0.00 60 N 7.97 4.29 0.00 3.08 3.00 0.00 0.00 6.94 7.61 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 61 I 7.48 3.56 1.84 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.34 0.63 0.00 0.00 62 Q 8.71 4.46 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 63 K 8.50 3.91 0.00 1.82 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.07 3.54 0.00 2.17 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 2.32 2.27 0.00 65 S 8.05 4.51 0.00 3.71 3.70 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 66 T 8.76 5.14 4.37 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 1.20 0.00 0.00 67 L 9.25 4.93 0.00 1.56 1.60 0.85 0.73 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 68 H 9.09 5.26 0.00 3.07 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.94 4.80 0.00 1.60 1.73 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.95 4.09 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 0.88 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.