NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.2979 0.0000 0.0000 60.7005 32.5263 177.7883 4 R 5.0977 7.3805 127.5744 54.2994 31.9240 171.1735 5 P 4.2104 0.0000 0.0000 65.7139 32.4660 177.6412 6 L 3.9254 7.8955 116.6465 57.5329 41.6430 179.1620 7 D 4.3884 8.3152 119.7373 57.3017 40.5250 178.8245 8 V 3.6003 7.2955 117.7871 65.6679 30.9701 177.6149 9 L 3.9067 7.6046 119.8582 57.8909 41.9567 178.1844 10 N 4.5696 7.7945 116.5741 56.6489 38.6406 176.9667 11 R 4.3289 7.5107 115.2108 56.8131 30.2103 176.7479 12 S 4.6409 8.5160 110.1178 57.1429 65.7770 174.1324 13 L 4.4238 7.1154 117.8965 56.2124 41.7369 177.6525 14 K 3.9389 9.0643 120.6011 56.7952 30.7734 175.7138 15 S 5.0271 7.6786 114.3154 55.5525 66.0244 171.8298 16 P 5.0212 0.0000 0.0000 63.3452 32.2930 175.5128 17 V 4.7118 9.0257 114.5291 60.5060 37.4068 173.3771 18 I 4.9295 8.9841 121.8347 59.8386 40.4810 175.1872 19 V 4.6553 9.3060 128.4625 61.2159 33.2906 174.3530 20 R 4.4135 8.2514 129.7950 55.4678 30.7641 175.6749 21 L 5.0202 8.4971 126.1608 52.7563 44.6244 176.1001 22 K 3.8899 8.3754 120.2213 57.9573 32.1015 175.9726 23 G 4.0990 8.5692 111.2150 46.7921 0.0000 173.8314 24 G 3.6135 6.7851 103.9672 44.9219 0.0000 173.8683 25 R 4.6328 7.7977 119.7774 55.3629 32.5445 175.0016 26 E 5.1523 8.8368 118.6415 55.0254 34.4187 174.5482 27 F 5.0876 9.4077 121.7001 55.7978 42.2852 174.7398 28 R 5.0260 9.0685 121.1462 54.0550 33.6450 175.9335 29 G 4.2752 7.9985 109.9190 46.2980 0.0000 170.5650 30 T 4.7680 7.5383 116.4462 62.2413 70.1412 174.7967 31 L 4.5541 8.7461 129.3747 55.3503 41.5681 175.9571 32 D 4.7167 9.2218 123.8175 52.9205 42.0573 175.8604 33 G 4.2003 7.5597 108.4273 46.2749 0.0000 170.6395 34 Y 5.1045 7.4398 115.7696 57.8639 40.3089 171.3470 35 D 4.4004 8.3541 117.0968 53.0178 41.3248 174.1683 36 I 3.8420 8.4223 117.1421 64.9744 38.5294 177.7528 37 H 4.8306 8.5738 116.1668 55.4299 28.0244 174.9323 38 M 3.3964 7.9325 117.8432 56.5153 31.0023 176.4773 39 N 4.9194 8.2184 113.0321 53.0239 40.6987 173.7630 40 L 4.9037 8.4334 117.7258 53.8217 47.0592 175.4504 41 V 4.8651 8.5244 119.5572 61.2744 34.9801 174.2716 42 L 5.9518 8.6113 126.4281 51.9819 45.6835 175.4380 43 L 4.9528 8.3918 121.3856 53.9506 44.7771 175.6119 44 D 4.6993 8.7026 116.9526 55.3339 38.5002 172.5657 45 A 5.1891 8.3334 123.9184 50.0868 23.5693 175.3265 46 E 4.9916 9.0521 117.5999 54.5441 33.8948 175.0336 47 E 3.9497 8.6557 124.5133 54.9344 31.2288 174.6396 48 I 4.8166 9.0095 129.5100 59.5557 39.7908 174.5912 49 Q 4.4199 8.1353 127.4629 54.0624 31.0225 174.8793 50 N 4.0350 9.3814 126.4496 54.4040 35.7753 174.2698 51 G 4.2696 8.2805 113.2499 45.9169 0.0000 173.2748 52 E 4.2471 7.6412 117.1924 55.3062 30.9219 175.0565 53 V 4.7043 7.9115 111.6277 59.7036 33.6426 176.3408 54 V 3.6543 8.8226 126.1483 64.7356 31.7877 175.5128 55 R 4.3878 6.6650 114.0080 56.2354 31.7740 172.9051 56 K 5.2338 8.5808 117.2724 55.0954 35.8226 176.4359 57 V 4.4709 8.3987 113.8631 59.9957 36.1294 175.9958 58 G 3.8073 9.0421 111.2933 49.5140 0.0000 173.2142 59 S 5.6899 7.6147 110.8809 58.7542 65.5167 175.8245 60 V 4.4749 7.8382 112.6901 60.0045 36.1880 173.7491 61 V 4.5632 8.3041 124.1504 61.4768 33.1328 174.6956 62 I 4.3507 8.2777 129.3975 59.1821 39.3437 175.7905 63 R 4.3491 8.6197 126.8528 56.0279 30.8232 177.9172 64 G 3.9890 9.5451 112.0818 47.6422 0.0000 175.0773 65 D 4.3684 8.1114 117.9407 56.5541 41.4426 176.6944 66 T 4.2988 7.8819 114.4175 63.9836 69.2453 174.7022 67 V 4.2004 7.5638 121.7122 62.2976 32.4625 174.6400 68 V 4.3594 8.1255 124.8842 63.9079 32.6318 175.4378 69 F 5.1152 7.2794 113.4709 55.5088 41.5463 172.4215 70 V 5.0574 8.6177 119.3507 61.3880 33.7528 174.4979 71 S 4.4139 9.1055 122.1068 56.1925 65.3592 171.8808 72 P 4.2200 0.0000 0.0000 60.5135 31.8338 173.1395 73 A 3.3136 7.4344 132.1716 53.0812 17.9501 175.6220 74 P 4.4221 0.0000 0.0000 63.2696 31.2838 175.2737 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 P 0.00 4.30 0.00 2.06 2.10 0.00 3.77 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 1.92 2.07 0.00 4 R 7.38 5.10 0.00 2.02 2.00 0.00 3.27 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.94 0.00 5 P 0.00 4.21 0.00 2.18 2.10 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 6 L 7.90 3.93 0.00 1.73 1.83 1.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.32 4.39 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 8 V 7.30 3.60 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 0.75 0.00 0.00 0.91 0.00 0.00 9 L 7.60 3.91 0.00 1.40 0.71 0.79 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.79 4.57 0.00 3.06 3.01 0.00 0.00 6.89 7.29 0.00 0.00 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 R 7.51 4.33 0.00 1.89 2.04 0.00 3.25 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 S 8.52 4.64 0.00 4.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.12 4.42 0.00 1.71 1.67 1.02 1.06 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 14 K 9.06 3.94 0.00 1.90 1.97 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.39 7.81 15 S 7.68 5.03 0.00 3.90 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 16 P 0.00 5.02 0.00 2.12 2.11 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 17 V 9.03 4.71 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 0.67 0.00 0.00 1.03 0.00 0.00 18 I 8.98 4.93 2.00 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 1.17 1.10 1.01 0.00 0.00 19 V 9.31 4.66 2.16 0.00 0.00 0.00 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 0.96 0.00 0.00 20 R 8.25 4.41 0.00 1.49 0.66 0.00 2.70 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.30 0.00 21 L 8.50 5.02 0.00 1.64 1.56 1.11 0.77 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 22 K 8.38 3.89 0.00 1.64 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.38 7.81 23 G 8.57 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 6.79 3.61 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 25 R 7.80 4.63 0.00 1.77 1.78 0.00 3.19 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 26 E 8.84 5.15 0.00 1.83 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 27 F 9.41 5.09 0.00 2.97 2.93 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 0.00 0.00 0.00 28 R 9.07 5.03 0.00 1.76 1.82 0.00 3.24 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 29 G 8.00 4.28 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 0.00 0.00 0.00 30 T 7.54 4.77 4.26 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 1.21 0.00 0.00 31 L 8.75 4.55 0.00 1.81 1.78 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.22 4.72 0.00 2.74 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 33 G 7.56 4.20 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 0.00 34 Y 7.44 5.10 0.00 3.14 2.94 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 35 D 8.35 4.40 0.00 2.69 2.61 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 36 I 8.42 3.84 1.83 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 1.33 1.09 0.74 0.00 0.00 37 H 8.57 4.83 0.00 3.38 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 7.93 3.40 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 39 N 8.22 4.92 0.00 2.91 2.75 0.00 0.00 6.77 6.74 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 40 L 8.43 4.90 0.00 1.54 1.49 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.52 4.87 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 0.97 0.00 0.00 0.92 0.00 0.00 42 L 8.61 5.95 0.00 1.57 1.51 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.39 4.95 0.00 1.59 1.56 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.70 4.70 0.00 2.70 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 45 A 8.33 5.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.05 4.99 0.00 1.84 1.74 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 2.20 2.22 0.00 47 E 8.66 3.95 0.00 1.55 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.54 0.00 48 I 9.01 4.82 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 0.87 0.00 0.00 49 Q 8.14 4.42 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 50 N 9.38 4.04 0.00 2.89 2.84 0.00 0.00 7.22 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 51 G 8.28 4.27 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 0.00 52 E 7.64 4.25 0.00 2.14 2.12 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 2.49 2.43 0.00 53 V 7.91 4.70 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 0.70 0.00 0.00 0.91 0.00 0.00 54 V 8.82 3.65 1.96 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 0.78 0.00 0.00 0.86 0.00 0.00 55 R 6.66 4.39 0.00 1.90 2.01 0.00 2.96 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 56 K 8.58 5.23 0.00 1.62 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 57 V 8.40 4.47 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 0.88 0.00 0.00 1.13 0.00 0.00 58 G 9.04 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.61 5.69 0.00 3.84 3.79 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 60 V 7.84 4.47 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 0.67 0.00 0.00 0.55 0.00 0.00 61 V 8.30 4.56 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 0.77 0.00 0.00 0.90 0.00 0.00 62 I 8.28 4.35 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.58 0.82 0.00 0.00 63 R 8.62 4.35 0.00 1.82 1.84 0.00 3.28 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 64 G 9.55 3.99 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 0.00 0.00 0.00 65 D 8.11 4.37 0.00 2.64 2.71 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 0.00 0.00 0.00 0.00 66 T 7.88 4.30 4.42 0.00 0.00 0.00 0.00 0.00 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 67 V 7.56 4.20 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 0.74 0.00 0.00 0.91 0.00 0.00 68 V 8.13 4.36 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 0.88 0.00 0.00 0.90 0.00 0.00 69 F 7.28 5.12 0.00 3.04 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 70 V 8.62 5.06 2.12 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 0.83 0.00 0.00 0.96 0.00 0.00 71 S 9.11 4.41 0.00 3.81 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.07 1.96 0.00 3.86 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 2.00 2.06 0.00 73 A 7.43 3.31 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 74 P 0.00 4.42 0.00 2.14 2.38 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00