NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9664 8.0393 120.3119 60.9569 32.6338 174.9878 2 P 4.4955 0.0000 0.0000 60.5631 31.1027 171.9740 3 E 4.9189 8.2140 122.1423 55.5213 30.5683 179.3075 4 V 3.6607 7.6836 120.4596 65.7091 32.4145 176.3922 5 D 4.6763 7.4250 120.3594 51.0857 39.3202 177.1219 6 N 4.8237 7.7568 118.0351 53.3989 40.1004 171.5243 7 P 4.4062 0.0000 0.0000 63.7706 32.3552 176.3149 8 H 4.3155 7.5151 122.0519 55.8883 33.7673 173.7479 9 C 4.6569 7.7640 117.7171 57.0239 30.9339 170.5697 10 P 4.0227 0.0000 0.0000 62.9315 31.8571 177.4581 11 N 4.2881 7.8084 116.1587 49.2774 37.1858 173.2296 12 P 4.5353 0.0000 0.0000 63.6799 32.8468 178.5520 13 W 4.4772 7.6290 119.0109 59.2835 29.1343 176.5644 14 L 4.8098 7.9166 114.8563 55.1920 41.8742 177.8602 15 N 4.2736 8.2736 118.7956 56.6115 39.2865 176.6165 16 E 3.5131 7.9264 115.5180 59.1205 29.7365 178.4380 17 D 4.4795 8.0130 118.7555 57.0712 41.6611 177.2977 18 L 4.4363 7.4775 116.4623 56.5911 43.7240 176.0783 19 V 4.0842 8.6676 120.1154 63.6493 32.2087 177.4840 20 K 4.1225 7.9273 119.1634 59.2943 32.0307 178.5902 21 S 4.2261 7.5950 115.2435 61.1614 63.2882 177.2738 22 L 4.6653 7.4335 124.2497 53.8664 40.9079 177.6696 23 R 4.4298 10.1160 120.9617 57.1286 37.7400 177.5614 24 E 4.5083 10.0399 118.8392 56.7043 29.5181 177.3267 25 N 5.1368 9.3238 113.1371 51.7760 38.7836 175.7484 26 L 3.9069 7.9142 119.8602 58.0356 41.7342 178.5366 27 L 4.8752 7.7004 113.3822 56.3295 41.8111 175.9705 28 Q 4.5299 7.6962 115.8782 56.5367 29.6306 176.3616 29 H 4.6229 7.9254 113.0537 56.0940 28.8535 175.8063 30 E 4.2679 8.1582 119.9459 58.4998 30.5234 177.8079 31 K 4.2168 8.4965 118.8757 59.6084 31.8782 177.7350 32 S 4.3577 7.4108 114.4086 60.5483 63.2909 175.3574 33 K 4.3587 7.9586 126.1030 55.9699 31.3045 176.5915 34 T 4.1948 7.1367 118.8273 62.4046 70.7111 172.5770 35 A 4.8245 8.9251 123.8052 51.4544 19.7008 176.4345 36 R 4.6661 8.0799 111.5634 57.0259 32.8387 174.8303 37 K 3.9706 8.3095 119.3163 56.6143 31.9324 175.6362 38 S 4.2693 9.3004 113.2489 58.9073 62.0990 173.0641 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 V 8.04 3.97 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 0.98 0.00 0.00 0.97 0.00 0.00 2 P 0.00 4.50 0.00 2.27 2.13 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 3 E 8.21 4.92 0.00 2.04 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 2.05 2.16 0.00 4 V 7.68 3.66 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 0.94 0.00 0.00 0.94 0.00 0.00 5 D 7.42 4.68 0.00 2.84 2.70 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 6 N 7.76 4.82 0.00 2.62 2.70 0.00 0.00 7.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.41 0.00 2.20 2.13 0.00 3.85 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 8 H 7.52 4.32 0.00 3.07 3.24 0.00 5.68 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 9 C 7.76 4.66 0.00 2.84 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 10 P 0.00 4.02 0.00 2.13 1.95 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 11 N 7.81 4.29 0.00 3.42 2.96 0.00 0.00 6.03 7.93 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 12 P 0.00 4.54 0.00 2.07 2.15 0.00 2.46 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 13 W 7.63 4.48 0.00 3.61 3.19 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 0.00 0.00 0.00 14 L 7.92 4.81 0.00 1.83 1.94 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.27 4.27 0.00 2.77 2.99 0.00 0.00 6.72 8.96 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 16 E 7.93 3.51 0.00 2.19 2.28 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 2.31 2.26 0.00 17 D 8.01 4.48 0.00 2.66 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 18 L 7.48 4.44 0.00 1.74 1.53 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.67 4.08 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 0.94 0.00 0.00 0.96 0.00 0.00 20 K 7.93 4.12 0.00 1.83 1.83 0.00 1.73 0.00 0.00 1.95 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.44 7.81 21 S 7.60 4.23 0.00 3.89 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 22 L 7.43 4.67 0.00 1.70 1.85 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 R 10.12 4.43 0.00 2.03 1.81 0.00 3.15 0.00 0.00 3.10 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 24 E 10.04 4.51 0.00 2.00 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 2.31 2.25 0.00 25 N 9.32 5.14 0.00 2.72 3.12 0.00 0.00 6.87 6.48 0.00 0.00 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 L 7.91 3.91 0.00 1.61 1.76 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.70 4.88 0.00 1.71 1.68 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.70 4.53 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 29 H 7.93 4.62 0.00 3.21 3.32 0.00 5.56 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.16 4.27 0.00 2.08 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 2.38 2.37 0.00 31 K 8.50 4.22 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.47 7.81 32 S 7.41 4.36 0.00 4.04 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.36 0.00 1.67 1.78 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.46 7.81 34 T 7.14 4.19 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 1.26 0.00 0.00 35 A 8.93 4.82 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.67 0.00 1.84 2.17 0.00 3.06 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.72 0.00 37 K 8.31 3.97 0.00 1.71 1.57 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 38 S 9.30 4.27 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00