NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4086 8.3049 120.3526 55.2451 34.0567 175.6774 2 E 4.3424 7.8261 115.9290 53.9993 31.2600 174.5965 3 S 4.3783 8.5535 115.8152 57.7713 64.4687 174.2990 4 F 4.0932 8.8807 131.2717 61.3558 39.4169 176.5887 5 L 3.8492 8.1495 119.4634 58.2000 41.9361 178.4115 6 L 3.9761 8.0260 120.3747 58.2746 41.9854 179.1625 7 S 4.8597 7.7076 115.6416 60.7160 62.9313 176.7426 8 K 3.7947 7.5618 121.6623 59.1451 31.7928 179.3056 9 V 3.6803 7.8557 118.7823 66.2656 31.4817 178.2449 10 S 4.2553 8.2684 113.6547 60.9101 62.9552 176.1015 11 F 3.9459 8.2736 124.6530 61.3506 39.1483 177.3264 12 V 3.5566 7.9689 117.8149 65.6648 31.2243 177.9512 13 I 3.8000 7.8237 119.7909 64.3961 37.0455 178.1783 14 K 3.9481 7.9103 120.2488 59.3106 31.9789 178.6274 15 K 3.7061 7.7561 119.7719 59.6351 32.0378 178.9312 16 I 3.7427 7.8262 120.0774 64.0330 36.9156 178.3330 17 R 3.8639 8.0496 119.7211 59.5438 29.9113 178.6449 18 L 3.9577 7.9520 118.6547 57.8259 41.3610 179.3461 19 E 3.9825 8.0264 117.6331 59.1580 29.5026 178.7869 20 K 4.3033 8.3243 116.0745 55.9913 32.2811 177.2401 21 G 3.9109 7.8504 107.2840 46.7689 0.0000 173.5736 22 M 4.6692 7.9521 118.5218 53.5976 33.9964 177.0110 23 T 4.3707 9.1222 113.5060 60.8436 71.6901 176.0609 24 Q 4.0290 8.4598 119.4319 59.0824 28.5339 178.9618 25 E 3.9993 8.1450 119.1395 59.4493 29.5345 178.7971 26 D 4.4150 8.0834 118.8679 57.4232 40.9427 178.7988 27 L 3.9300 8.0678 120.4092 57.9324 42.1813 178.4477 28 A 3.9786 8.3234 121.2186 55.5679 18.3064 178.8467 29 Y 3.9652 8.2245 117.6521 60.9902 38.7160 178.6983 30 K 3.8912 8.2245 117.4194 58.5139 32.2003 178.4740 31 S 4.4777 7.7335 113.3036 57.2650 63.4778 173.8648 32 N 4.1003 7.4888 117.2612 54.0894 36.4093 173.8626 33 L 4.6557 7.3994 116.5659 52.7367 44.5923 176.4194 34 D 4.6125 8.2122 118.7329 53.8779 43.1420 177.0481 35 R 3.9785 8.6368 125.1809 59.8292 30.1636 179.4718 36 T 3.8756 8.1166 108.8967 64.8850 68.4119 175.7714 37 Y 4.0721 7.8779 121.9501 60.4426 38.9483 177.5676 38 I 3.6464 7.7998 120.6405 64.4028 37.1513 178.0157 39 S 4.1497 8.2767 114.3196 61.6496 62.1289 176.6178 40 G 3.5402 8.3983 108.4135 47.8117 0.0000 175.6316 41 I 3.5737 7.6819 122.4576 64.2485 36.8793 178.4302 42 E 4.0969 7.9457 118.0742 58.7387 29.2593 178.2652 43 R 4.3806 7.4261 116.9786 55.7685 30.6591 176.1375 44 N 4.3286 7.9739 114.4087 54.3181 36.5989 175.0563 45 S 4.7097 8.4167 111.8215 57.7001 63.3635 174.6477 46 R 4.2544 7.7641 119.7009 55.6521 32.6437 174.8906 47 N 4.5299 8.7846 123.0261 52.5563 38.6031 173.6672 48 L 4.7427 8.5015 127.7087 53.1092 43.6618 176.9136 49 T 4.3805 8.2764 116.3274 61.0452 71.3090 175.8563 50 I 3.7699 8.1700 121.8057 64.3987 37.0946 178.7758 51 K 3.9465 8.0406 118.8951 59.6482 31.8426 179.3590 52 S 4.1358 8.1275 115.3896 61.3253 62.7523 176.4036 53 L 3.8189 8.0007 123.0290 58.1675 41.8420 178.4754 54 E 3.8377 8.3839 119.4799 59.4554 29.4348 178.8253 55 L 3.9540 7.9072 118.7753 57.7810 41.5629 179.6464 56 I 3.6642 7.9037 119.9392 64.7025 37.0692 178.3443 57 M 3.9024 8.2651 119.8794 58.1822 31.8111 178.7979 58 K 4.0009 8.0662 119.9223 59.4603 32.1726 179.1875 59 G 3.6129 8.0243 105.0533 47.6535 0.0000 175.2024 60 L 4.1311 8.2002 119.6436 54.6088 42.6450 176.5017 61 E 3.8094 7.8084 117.5336 57.6684 27.3375 174.7675 62 V 4.5216 7.5781 116.3260 59.1621 34.7010 176.7768 63 S 4.3936 8.3644 116.9855 57.9995 65.1593 174.8048 64 D 4.3620 8.7169 123.0231 57.9018 40.6031 179.2886 65 V 3.7459 7.9385 117.6608 66.2587 31.5488 177.7283 66 V 3.6007 7.8363 117.7113 66.0984 31.3046 177.5982 67 F 3.8301 8.1444 119.9936 61.5589 39.1751 177.2410 68 F 4.4284 8.2889 117.1378 60.3052 38.7336 177.3819 69 E 3.9974 8.7737 119.7793 59.5104 29.3496 178.8306 70 M 4.0101 8.0219 118.8376 58.0345 31.9732 178.3506 71 L 3.8071 7.5852 120.4748 58.2055 42.2983 178.8743 72 I 3.6893 7.8831 119.7035 64.4680 36.8859 178.0195 73 K 3.8460 7.6582 118.5326 59.7011 32.2990 178.0142 74 E 4.0035 8.2722 119.4111 59.3994 29.3851 178.8487 75 I 3.8341 8.0142 119.0470 64.2279 37.1882 178.0206 76 L 4.2716 8.0540 121.2970 57.2820 41.5981 177.7648 77 K 4.0856 7.5337 124.1495 54.9183 31.5982 181.2060 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 8.30 4.41 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 2 E 7.83 4.34 0.00 2.10 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 2.27 2.37 0.00 3 S 8.55 4.38 0.00 3.93 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 4 F 8.88 4.09 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.15 3.85 0.00 1.88 1.71 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.03 3.98 0.00 1.83 1.66 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.71 4.86 0.00 3.99 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 8 K 7.56 3.79 0.00 1.74 1.74 0.00 1.40 0.00 0.00 1.20 0.00 0.00 2.37 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.73 1.02 7.81 9 V 7.86 3.68 2.27 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 1.21 0.00 0.00 1.07 0.00 0.00 10 S 8.27 4.26 0.00 4.23 4.19 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 11 F 8.27 3.95 0.00 3.30 3.24 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 0.00 12 V 7.97 3.56 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 0.24 0.00 0.00 0.93 0.00 0.00 13 I 7.82 3.80 2.06 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 1.54 0.97 0.92 0.00 0.00 14 K 7.91 3.95 0.00 1.81 1.65 0.00 1.53 0.00 0.00 1.40 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.66 7.81 15 K 7.76 3.71 0.00 1.48 1.74 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.35 7.81 16 I 7.83 3.74 1.89 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 1.38 0.55 0.93 0.00 0.00 17 R 8.05 3.86 0.00 1.94 2.06 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 18 L 7.95 3.96 0.00 1.81 1.65 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.98 0.00 2.14 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 2.33 2.32 0.00 20 K 8.32 4.30 0.00 1.70 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.74 7.81 21 G 7.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.95 4.67 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.46 0.00 23 T 9.12 4.37 4.38 0.00 0.00 0.00 0.00 0.00 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 24 Q 8.46 4.03 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 25 E 8.15 4.00 0.00 2.06 2.02 0.00 0.00 0.00 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 2.48 0.00 26 D 8.08 4.42 0.00 2.97 2.76 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 27 L 8.07 3.93 0.00 1.78 1.81 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.32 3.98 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.22 3.97 0.00 3.03 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 3.89 0.00 1.96 1.91 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.76 1.68 7.81 31 S 7.73 4.48 0.00 3.87 3.87 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 0.00 0.00 0.00 32 N 7.49 4.10 0.00 2.78 2.82 0.00 0.00 6.82 8.68 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 33 L 7.40 4.66 0.00 1.70 1.66 1.07 0.79 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 34 D 8.21 4.61 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 3.98 0.00 1.92 2.00 0.00 3.21 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 36 T 8.12 3.88 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 1.24 0.00 0.00 37 Y 7.88 4.07 0.00 3.08 3.18 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 0.00 0.00 0.00 38 I 7.80 3.65 2.03 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 1.68 0.77 0.90 0.00 0.00 39 S 8.28 4.15 0.00 3.99 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 40 G 8.40 3.54 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 0.00 0.00 0.00 41 I 7.68 3.57 1.80 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 0.82 0.00 0.00 42 E 7.95 4.10 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 43 R 7.43 4.38 0.00 1.71 1.92 0.00 3.29 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 44 N 7.97 4.33 0.00 2.95 2.89 0.00 0.00 6.55 7.26 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 45 S 8.42 4.71 0.00 3.86 3.88 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 46 R 7.76 4.25 0.00 1.50 1.46 0.00 3.39 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.09 0.00 47 N 8.78 4.53 0.00 2.68 2.79 0.00 0.00 7.11 7.78 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 48 L 8.50 4.74 0.00 1.62 1.56 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.28 4.38 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 1.24 0.00 0.00 50 I 8.17 3.77 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.99 0.95 0.00 0.00 51 K 8.04 3.95 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 52 S 8.13 4.14 0.00 4.13 4.08 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 0.00 0.00 0.00 0.00 53 L 8.00 3.82 0.00 1.84 1.82 0.58 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.38 3.84 0.00 2.13 2.07 0.00 0.00 0.00 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 2.33 0.00 55 L 7.91 3.95 0.00 1.90 1.79 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.90 3.66 1.93 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 1.54 0.88 0.86 0.00 0.00 57 M 8.27 3.90 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.75 0.00 58 K 8.07 4.00 0.00 1.92 1.94 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 59 G 8.02 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 60 L 8.20 4.13 0.00 1.76 1.75 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.81 3.81 0.00 2.14 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 2.25 2.23 0.00 62 V 7.58 4.52 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 0.81 0.00 0.00 0.99 0.00 0.00 63 S 8.36 4.39 0.00 4.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.72 4.36 0.00 2.86 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 3.75 2.15 0.00 0.00 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 0.00 0.00 1.01 0.00 0.00 66 V 7.84 3.60 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 0.95 0.00 0.00 0.96 0.00 0.00 67 F 8.14 3.83 0.00 3.11 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 68 F 8.29 4.43 0.00 3.25 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 69 E 8.77 4.00 0.00 2.27 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 0.00 2.33 2.40 0.00 70 M 8.02 4.01 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 71 L 7.59 3.81 0.00 1.69 1.93 0.90 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.88 3.69 2.06 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 1.46 0.94 0.94 0.00 0.00 73 K 7.66 3.85 0.00 1.99 1.92 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 74 E 8.27 4.00 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.09 0.00 75 I 8.01 3.83 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.72 1.07 0.00 0.00 76 L 8.05 4.27 0.00 1.80 1.73 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.53 4.09 0.00 1.79 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.27 7.81