NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5096 8.1633 120.2787 55.3346 33.3700 174.7119 2 K 4.6530 8.3626 123.6301 54.1127 35.3174 174.2335 3 I 4.3709 8.2273 121.7443 59.9514 38.4126 176.3069 4 K 4.1694 8.7417 129.7183 58.6187 33.2892 175.9841 5 R 4.7594 8.6484 119.1838 54.9325 34.6309 173.8894 6 I 4.7893 8.0816 120.5989 59.5848 40.0835 175.5981 7 L 4.3247 8.6632 125.8267 56.8457 42.6541 175.9450 8 N 4.5334 7.7485 114.9892 53.2050 40.1152 174.1131 9 H 4.5156 8.8627 117.4577 57.4693 30.6398 176.6826 10 N 5.1056 9.6892 114.5240 55.1958 42.5791 174.2682 11 A 5.1972 8.2650 119.9988 50.8827 21.0733 176.3275 12 I 4.8030 8.3967 113.8965 59.4558 41.8671 174.4761 13 V 4.4159 8.3515 124.8577 62.5996 32.2884 175.6397 14 V 4.6524 8.5943 123.0098 59.0270 34.8502 174.8968 15 K 4.8440 8.3384 119.5732 56.1022 34.5776 175.3837 16 D 5.0175 9.0413 124.6632 51.9728 44.0281 176.3063 17 Q 4.2010 8.7030 118.0112 59.3009 28.8558 178.1689 18 N 4.4971 8.4391 113.9158 54.6232 39.3092 174.5208 19 E 4.8535 6.9538 114.4962 56.4490 34.2206 174.8183 20 E 4.5119 8.2048 118.9672 56.9627 31.3207 177.1507 21 K 5.1263 9.4436 124.3368 54.7707 37.5342 174.8661 22 I 5.0013 9.1850 120.9272 59.7815 41.0798 174.6572 23 L 4.9536 9.2639 130.2558 53.6452 43.7501 175.3318 24 L 4.6908 9.2321 129.0910 53.3112 43.1463 176.3366 25 G 4.6080 9.4361 112.0573 43.4761 0.0000 170.0029 26 A 4.3260 8.7329 129.5891 55.7131 18.1400 177.1163 27 G 4.0888 9.7224 111.0678 46.1787 0.0000 174.3339 28 I 3.6982 8.4012 121.6939 64.3034 37.2553 177.4623 29 A 4.1009 7.7470 121.4584 54.9400 18.3638 178.1112 30 F 4.1899 7.8027 117.2391 59.3255 39.8966 174.1695 31 N 3.8926 8.1769 123.2869 53.8096 36.7941 173.0047 32 K 4.2211 7.4626 115.3322 55.7575 35.0651 172.8360 33 K 4.5042 7.7073 118.9245 54.9606 35.2680 174.8563 34 K 4.2246 8.2430 120.4593 57.9273 32.2575 176.2254 35 N 4.5602 9.1097 124.5543 53.4848 39.3513 173.7378 36 D 4.6542 7.7865 117.0659 53.7076 42.2219 175.3353 37 I 4.3439 8.0319 125.0853 61.3808 37.9106 176.0977 38 V 3.9212 8.5106 126.1771 61.3283 32.3614 175.3825 39 D 4.5407 8.6539 124.5907 53.5731 41.2949 174.8914 40 P 4.4098 0.0000 0.0000 65.9926 31.3151 178.5486 41 S 4.1486 8.1640 111.6087 60.7475 62.6987 175.4467 42 K 4.3987 7.9646 120.5742 56.6120 31.8382 176.4957 43 I 3.9740 7.0797 120.2232 62.2253 37.1581 175.0795 44 E 4.6946 8.6875 124.2917 57.0136 32.5949 177.0414 45 K 4.5498 8.3035 118.3510 55.8125 37.1910 174.9639 46 T 5.1572 8.7218 122.3025 61.9841 70.2692 173.9757 47 F 4.7760 9.6416 125.2988 55.6452 42.5535 174.4874 48 I 5.0360 8.1481 121.9274 59.0615 40.5702 175.5230 49 R 4.0841 8.1290 123.2141 55.7389 30.1841 176.3736 50 K 3.8947 8.6861 123.0931 56.9790 32.1780 176.0171 51 D 4.5027 8.7219 126.7266 56.6405 41.6272 176.0352 52 T 4.7668 7.3380 107.1925 59.1950 71.3418 171.3527 53 P 4.3983 0.0000 0.0000 64.2536 32.2819 176.3635 54 D 4.6095 7.5464 118.5451 54.4635 43.6076 175.6449 55 Y 4.3222 7.4933 119.6050 58.3722 37.8131 175.8693 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 4.51 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 2 K 8.36 4.65 0.00 1.79 1.73 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.38 7.81 3 I 8.23 4.37 2.07 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 1.23 0.86 0.93 0.00 0.00 4 K 8.74 4.17 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 5 R 8.65 4.76 0.00 1.84 1.71 0.00 3.08 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 6 I 8.08 4.79 1.86 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 1.40 1.04 0.90 0.00 0.00 7 L 8.66 4.32 0.00 1.68 1.69 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.75 4.53 0.00 2.77 2.71 0.00 0.00 7.03 7.85 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 9 H 8.86 4.52 0.00 3.23 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 9.69 5.11 0.00 2.63 2.88 0.00 0.00 6.90 6.70 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 11 A 8.27 5.20 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 12 I 8.40 4.80 1.99 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 1.18 0.95 0.91 0.00 0.00 13 V 8.35 4.42 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 1.01 0.00 0.00 0.93 0.00 0.00 14 V 8.59 4.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 15 K 8.34 4.84 0.00 1.68 1.74 0.00 1.42 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.49 7.81 16 D 9.04 5.02 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.70 4.20 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 18 N 8.44 4.50 0.00 2.71 2.88 0.00 0.00 6.77 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 6.95 4.85 0.00 2.31 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 0.00 2.05 2.07 0.00 20 E 8.20 4.51 0.00 2.09 1.87 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 2.46 2.39 0.00 21 K 9.44 5.13 0.00 1.68 1.70 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.40 7.81 22 I 9.19 5.00 2.01 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 0.94 0.86 0.00 0.00 23 L 9.26 4.95 0.00 1.66 1.57 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.23 4.69 0.00 1.61 1.57 0.48 0.56 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 25 G 9.44 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.73 4.33 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.72 4.09 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 0.00 28 I 8.40 3.70 2.19 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.94 0.00 0.00 29 A 7.75 4.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.80 4.19 0.00 3.07 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 31 N 8.18 3.89 0.00 2.93 2.93 0.00 0.00 6.82 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.46 4.22 0.00 1.76 1.61 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.53 7.81 33 K 7.71 4.50 0.00 1.89 1.82 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.40 7.81 34 K 8.24 4.22 0.00 1.72 1.75 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.66 1.37 7.81 35 N 9.11 4.56 0.00 2.84 3.04 0.00 0.00 7.17 8.17 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 36 D 7.79 4.65 0.00 2.81 2.54 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 37 I 8.03 4.34 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 1.40 0.92 0.96 0.00 0.00 38 V 8.51 3.92 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 0.72 0.00 0.00 0.95 0.00 0.00 39 D 8.65 4.54 0.00 2.71 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 40 P 0.00 4.41 0.00 2.31 2.30 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 41 S 8.16 4.15 0.00 3.90 4.03 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 0.00 0.00 0.00 42 K 7.96 4.40 0.00 1.98 1.87 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.71 7.81 43 I 7.08 3.97 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 1.32 0.37 0.94 0.00 0.00 44 E 8.69 4.69 0.00 2.09 1.99 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 2.22 2.46 0.00 45 K 8.30 4.55 0.00 1.82 1.97 0.00 1.76 0.00 0.00 1.99 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.54 7.81 46 T 8.72 5.16 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 1.24 0.00 0.00 47 F 9.64 4.78 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 5.04 1.87 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 1.41 0.55 0.99 0.00 0.00 49 R 8.13 4.08 0.00 1.74 1.97 0.00 3.10 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 50 K 8.69 3.89 0.00 1.74 1.82 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 51 D 8.72 4.50 0.00 2.99 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.34 4.77 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 P 0.00 4.40 0.00 2.17 2.14 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 54 D 7.55 4.61 0.00 2.37 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 0.00 0.00 0.00 0.00 55 Y 7.49 4.32 0.00 3.08 2.85 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 0.00 0.00 0.00