NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.3035 8.0093 121.4633 61.2524 37.5183 174.2353 4 K 4.2966 8.4897 124.8715 54.2631 34.1810 171.4488 5 V 4.0546 8.2776 121.0062 61.4091 34.2492 175.9961 6 R 4.3424 8.3553 127.4301 54.4602 30.7534 173.0076 7 E 4.5458 8.4238 123.7389 54.0307 30.6555 176.1188 8 N 4.1310 8.5955 122.5223 53.9794 39.6438 170.6461 9 E 3.3469 8.5390 128.6511 54.3564 28.2450 172.0970 10 P 3.9255 0.0000 0.0000 63.0517 31.3440 176.8307 11 F 4.6666 8.3748 116.7338 58.1336 39.1649 175.8284 12 D 4.2415 7.3548 117.6461 55.2273 37.2806 173.8002 13 V 4.2359 7.5694 123.2495 60.2255 33.2367 176.0229 14 A 3.9530 8.9653 128.5309 54.9129 19.0559 177.1211 15 L 3.5200 7.7621 114.4986 56.6306 40.0239 174.9223 16 R 4.3967 7.5225 115.6046 56.7888 30.4115 178.3754 17 R 4.0001 7.4432 119.0303 59.3734 30.3206 178.5291 18 F 4.2541 8.4337 117.0145 60.7169 38.5351 177.4511 19 K 3.9882 8.2919 117.2872 59.3769 31.6848 178.2558 20 R 5.1696 7.7421 115.9941 56.6304 31.4028 177.0771 21 S 4.6070 7.6639 113.4795 58.1811 63.5845 172.4656 22 C 4.6369 6.7324 118.3645 59.2868 37.5203 179.2326 23 E 4.2456 7.9438 125.3480 55.3054 30.4182 176.8887 24 K 3.3910 8.7519 121.5386 57.7264 31.6656 175.3424 25 A 4.2635 8.5070 120.1751 53.3610 18.8708 175.9700 26 G 4.2532 9.0029 107.5087 45.6215 0.0000 175.5181 27 V 4.0766 7.4912 117.1327 63.7238 32.1098 177.8891 28 L 4.0364 7.6951 118.0362 57.4306 41.8244 178.7369 29 A 3.9777 7.9733 118.5271 55.1199 18.3018 178.7953 30 E 4.0743 8.1887 116.8382 58.5523 29.9303 177.9142 31 V 4.1313 6.9029 116.0661 63.2485 32.2000 176.6980 32 R 3.7694 7.9327 116.9489 62.5221 30.1856 178.8203 33 R 4.2110 7.6731 120.2227 55.1856 32.2497 175.7149 34 R 4.1803 8.2870 116.0251 56.8949 31.1222 177.1928 35 E 4.1746 8.6007 122.0922 56.4911 27.8198 176.7878 36 F 4.1344 7.6121 131.6800 58.5463 47.6147 175.5346 37 Y 3.9099 8.0164 119.1126 58.4778 35.6084 170.0928 38 E 4.4242 9.0181 124.7388 58.3816 31.9731 179.5059 39 K 4.0370 8.1159 119.6845 58.7530 32.8337 177.4849 40 P 3.6716 0.0000 0.0000 65.8818 31.3998 178.3123 41 T 4.0096 7.2412 113.7984 64.8135 67.9152 173.9020 42 T 4.4123 7.0093 109.1174 60.8462 71.4893 175.3942 43 E 3.7156 8.2779 125.8280 58.7007 30.3354 179.7298 44 R 4.0201 7.6869 117.2391 59.0414 30.3648 178.6312 45 K 4.2049 7.7623 116.3976 58.1012 31.9133 178.3151 46 R 4.2889 8.3364 117.7459 56.8432 30.2959 177.3203 47 A 4.3273 7.9143 122.5317 53.9786 19.0151 179.9062 48 K 3.6055 7.8310 117.4455 59.9530 32.4639 179.1772 49 A 3.9803 8.0052 120.3278 53.9484 18.5495 178.3691 50 S 4.4119 7.6874 110.6438 60.3588 63.1994 175.6238 51 A 4.0340 8.5006 123.2056 55.0459 18.0443 178.9332 52 V 3.6592 7.8290 116.6208 64.2584 31.5661 176.2121 53 K 3.9675 7.8207 125.0493 56.7986 33.0626 173.9326 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 3 I 8.01 4.30 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.12 1.19 0.00 0.00 4 K 8.49 4.30 0.00 1.95 1.83 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.55 7.81 5 V 8.28 4.05 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 0.75 0.00 0.00 0.71 0.00 0.00 6 R 8.36 4.34 0.00 1.74 1.77 0.00 3.26 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 7 E 8.42 4.55 0.00 2.21 2.33 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 2.31 2.30 0.00 8 N 8.60 4.13 0.00 2.64 2.73 0.00 0.00 7.19 7.65 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 9 E 8.54 3.35 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 10 P 0.00 3.93 0.00 2.10 1.92 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 11 F 8.37 4.67 0.00 2.97 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.35 4.24 0.00 2.91 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 13 V 7.57 4.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.84 0.00 0.00 14 A 8.97 3.95 1.32 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 0.00 0.00 15 L 7.76 3.52 0.00 1.92 1.58 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.52 4.40 0.00 1.96 1.95 0.00 3.25 0.00 0.00 3.35 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 17 R 7.44 4.00 0.00 2.03 2.09 0.00 3.35 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 18 F 8.43 4.25 0.00 2.99 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 3.99 0.00 1.89 1.91 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.67 7.81 20 R 7.74 5.17 0.00 2.07 1.96 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 21 S 7.66 4.61 0.00 3.74 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 22 C 6.73 4.64 0.00 2.87 2.75 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 23 E 7.94 4.25 0.00 1.98 1.93 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 0.00 2.29 2.25 0.00 24 K 8.75 3.39 0.00 1.93 1.75 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.38 7.81 25 A 8.51 4.26 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.00 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 0.00 0.00 0.00 0.00 27 V 7.49 4.08 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 1.05 0.00 0.00 0.97 0.00 0.00 28 L 7.70 4.04 0.00 1.73 1.68 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.97 3.98 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.19 4.07 0.00 2.23 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 0.00 2.41 2.46 0.00 31 V 6.90 4.13 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 0.99 0.00 0.00 32 R 7.93 3.77 0.00 1.94 1.87 0.00 3.29 0.00 0.00 3.21 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 33 R 7.67 4.21 0.00 1.74 1.78 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 34 R 8.29 4.18 0.00 1.90 1.97 0.00 2.91 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 35 E 8.60 4.17 0.00 1.32 1.12 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 2.33 2.41 0.00 36 F 7.61 4.13 0.00 2.91 2.75 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 37 Y 8.02 3.91 0.00 3.24 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 38 E 9.02 4.42 0.00 2.25 2.30 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 0.00 2.39 2.50 0.00 39 K 8.12 4.04 0.00 2.32 2.34 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.50 7.81 40 P 0.00 3.67 0.00 1.94 1.62 0.00 3.83 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 41 T 7.24 4.01 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 1.20 0.00 0.00 42 T 7.01 4.41 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 1.22 0.00 0.00 43 E 8.28 3.72 0.00 2.02 2.31 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 2.48 2.48 0.00 44 R 7.69 4.02 0.00 2.10 1.81 0.00 2.68 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 45 K 7.76 4.20 0.00 1.95 1.82 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.47 7.81 46 R 8.34 4.29 0.00 1.92 1.96 0.00 3.16 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 47 A 7.91 4.33 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 48 K 7.83 3.61 0.00 2.00 2.06 0.00 1.20 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.59 7.81 49 A 8.01 3.98 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 50 S 7.69 4.41 0.00 3.88 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 51 A 8.50 4.03 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 52 V 7.83 3.66 2.17 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 0.71 0.00 0.00 0.93 0.00 0.00 53 K 7.82 3.97 0.00 1.69 1.64 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.23 7.81