NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 K 4.3937 8.1576 122.0498 56.4164 33.8391 174.2115 52 S 4.7430 8.5600 121.9594 56.8613 65.0940 172.8892 53 C 5.0294 9.7444 120.6495 55.7159 42.4274 173.7676 54 C 5.4604 9.3106 121.3563 55.0413 43.0764 175.7667 55 R 3.6270 8.7640 119.8998 59.0388 30.0936 177.1622 56 S 4.5901 7.4998 111.1407 56.3102 67.0557 174.9549 57 T 3.8849 8.4260 111.7454 64.8326 68.2915 176.3528 58 L 4.0793 7.9672 121.5690 57.6536 41.6416 179.5394 59 G 3.6333 7.8701 105.5350 47.6531 0.0000 175.7554 60 R 3.9581 8.2102 121.2118 59.4787 30.1511 178.4922 61 N 4.3908 8.4815 116.3183 55.9971 38.3782 176.6004 62 C 4.2052 8.3615 120.2431 59.9193 44.7837 175.0466 63 Y 3.9682 8.3029 121.1078 60.8952 38.1955 177.8059 64 N 4.3415 8.3977 116.4086 56.2167 38.9091 177.2133 65 L 4.0993 7.9756 120.5098 57.8609 41.7166 178.4332 66 C 4.1269 8.3555 118.7028 59.8708 43.3077 175.4008 67 R 4.2181 7.5820 117.9527 56.8176 29.6273 178.3862 68 V 3.7052 7.4694 118.9787 65.2762 31.6062 176.5029 69 R 4.4499 7.9338 114.7258 55.8716 32.6178 175.9875 70 G 3.9614 8.1685 106.7474 43.7575 0.0000 173.1948 71 A 4.3731 8.0573 121.8886 51.0902 20.5466 178.8755 72 Q 4.0208 8.5644 120.2351 59.2940 28.8826 179.6859 73 K 3.9695 8.0087 119.8645 59.2284 32.3454 178.2644 74 L 3.9401 7.8999 120.1679 58.6731 42.0785 179.6526 75 C 4.3758 8.4990 116.1046 59.5061 39.1822 175.9825 76 A 4.1293 8.5670 123.0477 55.3924 17.7997 179.4699 77 N 4.3315 8.0950 113.5249 56.3870 38.6811 177.2142 78 A 4.2023 8.0657 121.2619 54.6423 18.5247 178.0903 79 C 4.7297 7.9929 111.6790 55.5800 41.0350 173.8965 80 R 3.8012 7.9883 117.8369 57.5822 27.3295 176.5577 81 C 5.0486 8.0467 113.2383 55.7177 42.8092 173.5764 82 K 4.4481 8.7405 121.6595 54.7219 34.0692 174.7362 83 L 5.0471 8.2251 125.9280 53.5683 43.4909 175.6490 84 T 4.7718 8.5791 116.8001 60.6921 70.5274 173.7554 85 S 4.4892 8.7802 119.5194 58.0683 63.9788 174.4909 86 G 3.8671 7.6860 110.6621 46.1681 0.0000 173.4799 87 L 4.3803 8.2672 118.1017 54.9405 42.3452 176.9924 88 K 4.7025 7.4741 116.1085 54.9522 35.7438 176.3950 89 C 4.6260 8.4711 117.2584 55.3144 38.6253 172.2451 90 P 4.6162 0.0000 0.0000 62.5540 31.5968 177.6751 91 S 4.2674 8.5397 114.3835 60.9845 63.2484 175.7174 92 S 4.2096 8.1043 114.6231 60.1501 63.5760 174.1620 93 F 4.8233 7.9444 119.1124 55.3518 38.6596 172.9713 94 P 4.5628 0.0000 0.0000 63.1329 32.8245 177.2833 95 K 4.1787 8.4833 125.2511 56.6712 32.1846 175.9364 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 51 K 8.16 4.39 0.00 1.84 1.80 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 52 S 8.56 4.74 0.00 3.06 3.35 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 53 C 9.74 5.03 0.00 2.70 3.28 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 0.00 54 C 9.31 5.46 0.00 2.81 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 55 R 8.76 3.63 0.00 1.72 1.81 0.00 3.17 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.24 0.00 56 S 7.50 4.59 0.00 3.98 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 57 T 8.43 3.88 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 1.21 0.00 0.00 58 L 7.97 4.08 0.00 1.72 1.77 0.92 0.92 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 59 G 7.87 3.63 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 0.00 0.00 0.00 60 R 8.21 3.96 0.00 1.96 2.12 0.00 3.21 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 1.65 1.76 0.00 61 N 8.48 4.39 0.00 2.80 2.87 0.00 0.00 6.69 7.30 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 62 C 8.36 4.21 0.00 3.15 3.38 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 63 Y 8.30 3.97 0.00 3.11 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 64 N 8.40 4.34 0.00 2.76 2.90 0.00 0.00 7.13 8.71 0.00 0.00 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 L 7.98 4.10 0.00 1.94 1.69 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 C 8.36 4.13 0.00 3.00 3.12 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 0.00 67 R 7.58 4.22 0.00 1.71 1.78 0.00 3.34 0.00 0.00 2.62 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.58 0.00 68 V 7.47 3.71 2.14 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 0.81 0.00 0.00 0.95 0.00 0.00 69 R 7.93 4.45 0.00 1.77 1.89 0.00 3.39 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 70 G 8.17 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 0.00 0.00 0.00 71 A 8.06 4.37 1.27 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 0.00 0.00 72 Q 8.56 4.02 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 73 K 8.01 3.97 0.00 1.88 1.81 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.57 7.81 74 L 7.90 3.94 0.00 1.79 1.78 0.92 0.97 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 75 C 8.50 4.38 0.00 2.84 2.83 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 76 A 8.57 4.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.10 4.33 0.00 2.88 2.92 0.00 0.00 7.06 7.19 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 78 A 8.07 4.20 1.36 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 0.00 0.00 79 C 7.99 4.73 0.00 3.23 3.21 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 0.00 0.00 0.00 0.00 80 R 7.99 3.80 0.00 2.00 2.10 0.00 3.22 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 81 C 8.05 5.05 0.00 2.75 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 82 K 8.74 4.45 0.00 0.79 1.15 0.00 1.26 0.00 0.00 0.83 0.00 0.00 2.58 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.01 0.79 7.81 83 L 8.23 5.05 0.00 1.51 1.52 0.95 0.77 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 84 T 8.58 4.77 4.15 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 1.16 0.00 0.00 85 S 8.78 4.49 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.69 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.27 4.38 0.00 1.62 1.72 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.47 4.70 0.00 1.79 1.71 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.43 7.81 89 C 8.47 4.63 0.00 3.00 3.25 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 90 P 0.00 4.62 0.00 2.32 2.21 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.94 0.00 91 S 8.54 4.27 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.10 4.21 0.00 3.85 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 93 F 7.94 4.82 0.00 2.93 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 94 P 0.00 4.56 0.00 2.18 2.30 0.00 3.96 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 95 K 8.48 4.18 0.00 1.90 1.73 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.48 7.81