NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.7347 8.0093 121.2199 60.3221 39.2928 175.0227 4 K 4.3958 7.4397 118.7555 54.5005 34.5658 170.5245 5 V 4.4071 8.9578 115.1700 59.6342 35.5611 176.7786 6 R 4.4380 8.4485 122.2820 54.4894 31.7661 174.4555 7 E 4.2798 8.3327 122.5815 54.7054 32.1865 174.2121 8 N 4.9492 8.0118 125.1500 53.5235 37.2893 175.8389 9 E 4.3963 9.4767 124.0189 58.3659 30.5429 174.2528 10 P 4.8386 0.0000 0.0000 58.9004 32.7994 175.3651 11 F 4.7965 8.2282 115.8282 57.6087 39.6970 172.0919 12 D 4.5749 7.7985 128.2618 55.0089 42.5782 177.5776 13 V 4.0295 7.7612 117.9857 60.5273 32.6143 176.1816 14 A 4.0231 8.5220 123.7018 55.5067 18.4198 179.6447 15 L 3.8072 7.9730 111.2768 55.3261 39.2960 176.0230 16 R 4.3225 7.2554 120.5805 55.6398 28.3731 176.1149 17 R 4.3269 7.9835 118.7338 55.9142 31.0872 178.2291 18 F 4.2597 8.2648 121.3916 61.0789 39.4541 176.7992 19 K 4.2125 8.0559 118.0661 58.2631 32.2735 177.7208 20 R 4.2238 7.9627 116.1166 57.0949 30.0576 176.8396 21 S 4.5975 7.6898 112.5649 59.2264 62.9213 173.2980 22 C 4.8095 7.1079 116.4192 60.9288 34.4700 177.9173 23 E 4.5547 7.9380 125.3565 55.5732 30.6311 175.2968 24 K 3.4879 8.7684 123.2669 58.0885 32.0835 176.9333 25 A 3.6367 8.7916 115.0398 55.1227 17.7612 178.7362 26 G 3.8235 6.9224 101.9737 48.2129 0.0000 174.8486 27 V 3.9961 7.5074 118.3682 63.3339 32.1451 178.1094 28 L 4.1154 8.5478 118.1222 56.7874 41.6712 178.1311 29 A 4.3280 7.6524 119.1844 53.4843 18.9141 178.9471 30 E 4.1222 8.0261 117.2951 58.8417 31.3933 177.8641 31 V 4.1026 7.1392 119.6297 61.0359 29.8568 176.2764 32 R 4.6540 7.2202 117.9064 55.6298 31.7528 174.6564 33 R 4.2797 7.8562 116.2250 55.5698 33.6604 173.7157 34 R 3.8958 8.2299 114.3512 56.3111 30.7422 176.8876 35 E 3.8321 8.7973 120.3364 58.1274 29.3407 176.6247 36 F 3.7939 7.4969 118.7609 53.6860 39.7835 178.8494 37 Y 3.3503 8.5411 126.0569 58.6474 37.9174 170.3304 38 E 4.7385 9.5021 115.2264 56.3447 31.3944 176.2624 39 K 4.4292 7.9461 118.6478 57.7575 33.2758 174.9369 40 P 4.3177 0.0000 0.0000 64.7604 30.9875 177.8380 41 T 4.0682 7.9367 109.2518 64.0495 68.9549 175.4905 42 T 4.3790 8.4517 112.9516 64.1659 70.0637 175.7970 43 E 4.0528 8.0060 121.3769 58.8140 29.3049 178.4153 44 R 4.1266 7.9568 121.0030 57.9155 30.4876 178.5163 45 K 4.1485 7.3841 120.1529 58.5558 32.7015 177.5540 46 R 4.4381 7.7412 116.3016 56.0435 29.7785 176.4450 47 A 4.5376 7.4699 118.4484 52.3573 18.4727 178.2145 48 K 4.5205 7.6422 116.5900 56.6001 34.4471 178.0438 49 A 4.0637 8.1279 120.5076 54.5848 18.5820 178.0285 50 S 4.5416 7.6040 108.0800 58.6090 63.6180 174.1906 51 A 4.8872 7.4354 122.8193 51.3814 19.2727 176.2785 52 V 4.3151 7.6145 117.0012 61.5167 33.1875 176.1655 53 K 4.1753 8.6236 121.4372 55.8788 32.6449 176.1045 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 3.73 1.64 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.91 0.78 0.00 0.00 4 K 7.44 4.40 0.00 1.87 1.72 0.00 1.40 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.50 7.81 5 V 8.96 4.41 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 0.89 0.00 0.00 0.96 0.00 0.00 6 R 8.45 4.44 0.00 1.72 1.82 0.00 3.19 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 7 E 8.33 4.28 0.00 1.16 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 2.05 2.06 0.00 8 N 8.01 4.95 0.00 2.65 2.00 0.00 0.00 6.99 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 9 E 9.48 4.40 0.00 2.14 2.13 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 2.26 2.33 0.00 10 P 0.00 4.84 0.00 2.26 2.15 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 11 F 8.23 4.80 0.00 3.32 3.20 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 12 D 7.80 4.57 0.00 2.55 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 13 V 7.76 4.03 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 0.78 0.00 0.00 0.97 0.00 0.00 14 A 8.52 4.02 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 15 L 7.97 3.81 0.00 1.83 1.84 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.26 4.32 0.00 1.88 1.91 0.00 3.27 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 17 R 7.98 4.33 0.00 1.91 1.95 0.00 3.19 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 18 F 8.26 4.26 0.00 3.05 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 19 K 8.06 4.21 0.00 1.82 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 20 R 7.96 4.22 0.00 1.93 1.99 0.00 3.33 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 21 S 7.69 4.60 0.00 3.82 4.31 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 22 C 7.11 4.81 0.00 2.99 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 4.55 0.00 2.00 1.78 0.00 0.00 0.00 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 2.26 0.00 24 K 8.77 3.49 0.00 1.90 1.60 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.42 7.81 25 A 8.79 3.64 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.00 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 1.14 0.00 0.00 0.93 0.00 0.00 28 L 8.55 4.12 0.00 1.74 1.72 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.65 4.33 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.12 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 31 V 7.14 4.10 2.10 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 0.81 0.00 0.00 1.03 0.00 0.00 32 R 7.22 4.65 0.00 1.78 1.83 0.00 3.34 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 33 R 7.86 4.28 0.00 1.69 1.48 0.00 3.24 0.00 0.00 3.05 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.49 0.00 34 R 8.23 3.90 0.00 1.54 1.75 0.00 3.12 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 35 E 8.80 3.83 0.00 2.10 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 2.42 2.48 0.00 36 F 7.50 3.79 0.00 3.29 3.03 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 37 Y 8.54 3.35 0.00 3.19 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 38 E 9.50 4.74 0.00 2.08 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 2.28 2.40 0.00 39 K 7.95 4.43 0.00 2.37 2.35 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.67 1.63 7.81 40 P 0.00 4.32 0.00 2.20 2.03 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 41 T 7.94 4.07 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 1.32 0.00 0.00 42 T 8.45 4.38 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 1.27 0.00 0.00 43 E 8.01 4.05 0.00 1.97 1.85 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 2.47 2.53 0.00 44 R 7.96 4.13 0.00 1.93 1.94 0.00 3.07 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 45 K 7.38 4.15 0.00 1.80 1.98 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 46 R 7.74 4.44 0.00 1.95 1.86 0.00 3.14 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 47 A 7.47 4.54 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 48 K 7.64 4.52 0.00 1.76 1.71 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.47 7.81 49 A 8.13 4.06 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.60 4.54 0.00 3.93 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 51 A 7.44 4.89 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 52 V 7.61 4.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 53 K 8.62 4.18 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.33 7.81