============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TRP 20 1.040 -18.836 20.888 52.120 -99.200 -91.000 TRP6 20 1.020 -18.446 19.238 50.455 -99.200 -91.000 PHE 26 1.000 -16.336 14.423 38.853 -99.200 -91.000 PHE 35 1.000 -7.044 8.073 25.771 -99.200 -91.000 TYR 41 0.840 1.557 10.863 25.062 -99.200 -91.000 PHE 43 1.000 0.448 10.939 31.276 -99.200 -91.000 TRP 46 1.040 -5.405 2.423 43.245 -99.200 -91.000 TRP6 46 1.020 -5.787 0.195 42.522 -99.200 -91.000 PHE 65 1.000 -6.565 0.245 36.642 -99.200 -91.000 TYR 98 0.840 1.016 -1.533 30.532 -99.200 -91.000 PHE 100 1.000 7.853 -4.545 37.533 -99.200 -91.000 HIS 103 0.900 13.017 4.921 45.421 -99.200 -91.000 PHE 107 1.000 12.496 5.856 56.998 -99.200 -91.000 TYR 111 0.840 6.635 3.931 56.366 -99.200 -91.000 TYR 117 0.840 2.816 -1.927 36.767 -99.200 -91.000 HIS 128 0.900 12.580 8.178 21.896 -99.200 -91.000 PHE 135 1.000 13.652 14.627 46.804 -99.200 -91.000 PHE 156 1.000 13.691 12.524 34.457 -99.200 -91.000 TYR 172 0.840 3.077 7.121 50.745 -99.200 -91.000 TYR 185 0.840 11.051 14.263 56.781 -99.200 -91.000 PHE 190 1.000 8.405 14.500 50.497 -99.200 -91.000 TYR 197 0.840 13.100 15.498 41.306 -99.200 -91.000 HIS 199 0.900 13.137 26.422 39.508 -99.200 -91.000 TRP 204 1.040 15.545 16.973 31.542 -99.200 -91.000 TRP6 204 1.020 13.440 15.986 31.059 -99.200 -91.000 HIS 214 0.900 8.370 21.793 25.044 -99.200 -91.000 PHE 216 1.000 6.286 20.578 37.704 -99.200 -91.000 TRP 218 1.040 4.197 16.258 42.971 -99.200 -91.000 TRP6 218 1.020 3.708 18.013 44.467 -99.200 -91.000 TYR 229 0.840 -14.523 23.278 47.515 -99.200 -91.000 TYR 232 0.840 -15.126 12.929 56.755 -99.200 -91.000 TYR 233 0.840 -17.929 21.204 59.066 -99.200 -91.000 PHE 237 1.000 -11.941 25.072 58.200 -99.200 -91.000 PHE 246 1.000 -9.091 20.556 55.996 -99.200 -91.000 PHE 254 1.000 -1.023 20.659 46.670 -99.200 -91.000 PHE 267 1.000 -11.343 16.580 40.131 -99.200 -91.000 TYR 271 0.840 -14.211 18.010 36.159 -99.200 -91.000 TYR 278 0.840 -14.844 13.410 49.791 -99.200 -91.000 PHE 280 1.000 -7.705 7.761 53.101 -99.200 -91.000 TRP 281 1.040 -14.020 7.479 50.140 -99.200 -91.000 TRP6 281 1.020 -13.089 6.932 48.032 -99.200 -91.000 TRP 294 1.040 -9.677 12.758 54.739 -99.200 -91.000 TRP6 294 1.020 -8.431 14.436 55.856 -99.200 -91.000 TYR 298 0.840 -4.143 16.880 45.451 -99.200 -91.000 PHE 299 1.000 -2.826 12.314 37.289 -99.200 -91.000 TYR 308 0.840 -0.253 21.243 24.866 -99.200 -91.000 PHE 313 1.000 -11.556 10.146 33.927 -99.200 -91.000 HIS 323 0.900 -5.110 6.833 49.322 -99.200 -91.000 PHE 326 1.000 -8.616 12.322 40.844 -99.200 -91.000 TRP 329 1.040 -8.459 10.398 29.311 -99.200 -91.000 TRP6 329 1.020 -10.586 10.523 28.282 -99.200 -91.000 HIS 332 0.900 0.396 12.308 21.359 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j63B1 ILE 90 HA 0.01 -0.03 0.18 -0.75 4.18 3.58 2j63B1 ILE 90 HB 0.01 -0.00 0.06 -0.04 1.89 1.91 2j63B1 ILE 90 HG12 0.01 -0.03 -0.15 -0.04 1.49 1.28 2j63B1 ILE 90 HG13 0.01 -0.03 0.04 -0.04 1.21 1.19 2j63B1 ILE 90 HG23 0.01 -0.00 0.02 -0.04 0.93 0.91 2j63B1 ILE 90 HD13 0.01 0.01 0.01 -0.04 0.88 0.87 2j63B1 ARG 91 H 0.00 0.25 0.09 -0.55 8.46 8.25 2j63B1 ARG 91 HA 0.00 0.11 0.79 -0.75 4.34 4.48 2j63B1 ARG 91 HB2 0.00 0.03 -0.01 -0.04 1.90 1.88 2j63B1 ARG 91 HB3 -0.00 -0.07 -0.00 -0.04 1.80 1.68 2j63B1 ARG 91 HG2 0.00 0.01 -0.22 -0.04 1.67 1.42 2j63B1 ARG 91 HG3 0.00 0.04 0.01 -0.04 1.67 1.69 2j63B1 ARG 91 HD2 0.00 0.04 -0.02 -0.04 3.22 3.20 2j63B1 ARG 91 HD3 -0.00 0.01 -0.04 -0.04 3.22 3.15 2j63B1 THR 92 H -0.00 0.10 0.16 -0.55 8.28 7.99 2j63B1 THR 92 HA 0.00 0.15 0.31 -0.75 4.39 4.10 2j63B1 THR 92 HB -0.00 0.07 0.14 -0.04 4.32 4.49 2j63B1 THR 92 HG23 -0.00 0.04 0.10 -0.04 1.22 1.32 2j63B1 ALA 93 H 0.00 0.19 0.18 -0.55 8.40 8.23 2j63B1 ALA 93 HA 0.01 0.14 0.42 -0.75 4.34 4.14 2j63B1 ALA 93 HB3 0.00 0.03 0.12 -0.04 1.41 1.52 2j63B1 GLU 94 H 0.00 0.09 -0.11 -0.55 8.60 8.03 2j63B1 GLU 94 HA 0.01 0.11 0.41 -0.75 4.29 4.06 2j63B1 GLU 94 HB2 0.00 0.02 0.09 -0.04 2.09 2.16 2j63B1 GLU 94 HB3 0.00 -0.04 0.02 -0.04 1.99 1.93 2j63B1 GLU 94 HG2 0.00 0.03 -0.15 -0.04 2.34 2.18 2j63B1 GLU 94 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 2j63B1 ALA 95 H 0.00 0.05 -0.27 -0.55 8.40 7.63 2j63B1 ALA 95 HA -0.01 0.06 0.44 -0.75 4.34 4.09 2j63B1 ALA 95 HB3 -0.01 0.04 0.02 -0.04 1.41 1.43 2j63B1 LEU 96 H 0.00 0.44 -0.24 -0.55 8.37 8.04 2j63B1 LEU 96 HA 0.01 0.04 0.35 -0.75 4.35 3.99 2j63B1 LEU 96 HB2 0.01 0.11 0.05 -0.04 1.64 1.77 2j63B1 LEU 96 HB3 0.01 0.07 0.10 -0.04 1.64 1.78 2j63B1 LEU 96 HG 0.01 -0.04 0.00 -0.04 1.64 1.58 2j63B1 LEU 96 HD13 0.01 0.01 -0.01 -0.04 0.93 0.89 2j63B1 LEU 96 HD23 0.01 -0.01 -0.03 -0.04 0.89 0.83 2j63B1 ALA 97 H 0.01 0.52 -0.06 -0.55 8.40 8.33 2j63B1 ALA 97 HA 0.02 0.02 0.45 -0.75 4.34 4.08 2j63B1 ALA 97 HB3 0.02 0.02 0.10 -0.04 1.41 1.51 2j63B1 ALA 98 H 0.02 0.39 -0.18 -0.55 8.40 8.08 2j63B1 ALA 98 HA 0.07 0.03 0.44 -0.75 4.34 4.13 2j63B1 ALA 98 HB3 0.02 0.02 0.10 -0.04 1.41 1.51 2j63B1 LEU 99 H 0.02 0.27 -0.41 -0.55 8.37 7.70 2j63B1 LEU 99 HA -0.02 0.07 0.50 -0.75 4.35 4.15 2j63B1 LEU 99 HB2 -0.00 0.14 0.21 -0.04 1.64 1.94 2j63B1 LEU 99 HB3 0.01 0.00 0.01 -0.04 1.64 1.62 2j63B1 LEU 99 HG -0.04 -0.00 0.04 -0.04 1.64 1.60 2j63B1 LEU 99 HD13 -0.00 -0.03 -0.04 -0.04 0.93 0.81 2j63B1 LEU 99 HD23 -0.02 -0.01 0.00 -0.04 0.89 0.82 2j63B1 ASN 100 H 0.04 0.34 -0.14 -0.55 8.53 8.22 2j63B1 ASN 100 HA 0.05 0.01 0.40 -0.75 4.76 4.47 2j63B1 ASN 100 HB2 0.04 0.09 0.15 -0.04 2.88 3.11 2j63B1 ASN 100 HB3 0.04 -0.09 0.03 -0.04 2.79 2.73 2j63B1 ASN 100 HD21 0.02 -0.08 -0.05 -0.04 7.03 6.88 2j63B1 ASN 100 HD22 0.02 -0.04 -0.05 -0.04 7.74 7.63 2j63B1 ALA 101 H 0.09 0.27 -0.22 -0.55 8.40 7.99 2j63B1 ALA 101 HA 0.07 -0.04 0.29 -0.75 4.34 3.90 2j63B1 ALA 101 HB3 0.07 0.02 0.09 -0.04 1.41 1.55 2j63B1 LYS 102 H 0.06 0.07 0.21 -0.55 8.42 8.20 2j63B1 LYS 102 HA 0.16 0.08 0.85 -0.75 4.32 4.66 2j63B1 LYS 102 HB2 0.06 -0.01 0.14 -0.04 1.87 2.01 2j63B1 LYS 102 HB3 0.08 -0.07 0.00 -0.04 1.79 1.77 2j63B1 LYS 102 HG2 0.10 0.11 0.02 -0.04 1.46 1.65 2j63B1 LYS 102 HG3 0.07 0.03 0.08 -0.04 1.46 1.59 2j63B1 LYS 102 HD2 0.12 -0.08 0.06 -0.04 1.69 1.74 2j63B1 LYS 102 HD3 0.08 0.01 0.04 -0.04 1.68 1.77 2j63B1 LYS 102 HE2 0.06 -0.01 -0.00 -0.04 2.99 3.00 2j63B1 LYS 102 HE3 0.07 -0.02 0.01 -0.04 2.99 3.01 2j63B1 LYS 103 H 0.12 0.17 0.16 -0.55 8.42 8.32 2j63B1 LYS 103 HA -0.07 0.09 0.54 -0.75 4.32 4.13 2j63B1 LYS 103 HB2 -0.95 0.00 0.04 -0.04 1.87 0.92 2j63B1 LYS 103 HB3 -0.30 0.04 -0.06 -0.04 1.79 1.43 2j63B1 LYS 103 HG2 -0.20 -0.01 0.02 -0.04 1.46 1.23 2j63B1 LYS 103 HG3 -0.24 0.14 -0.11 -0.04 1.46 1.21 2j63B1 LYS 103 HD2 -0.99 0.04 -0.08 -0.04 1.69 0.62 2j63B1 LYS 103 HD3 -0.65 -0.02 -0.04 -0.04 1.68 0.93 2j63B1 LYS 103 HE2 -0.13 0.02 -0.02 -0.04 2.99 2.82 2j63B1 LYS 103 HE3 -0.13 0.00 -0.03 -0.04 2.99 2.80 2j63B1 SER 104 H -0.01 0.14 0.08 -0.55 8.46 8.12 2j63B1 SER 104 HA -0.01 0.16 0.72 -0.75 4.49 4.61 2j63B1 SER 104 HB2 -0.00 0.09 0.11 -0.04 3.95 4.10 2j63B1 SER 104 HB3 -0.03 0.02 0.12 -0.04 3.93 4.00 2j63B1 GLU 105 H -0.71 0.20 0.15 -0.55 8.60 7.69 2j63B1 GLU 105 HA -0.27 0.14 0.40 -0.75 4.29 3.81 2j63B1 GLU 105 HB2 -1.07 0.03 0.12 -0.04 2.09 1.13 2j63B1 GLU 105 HB3 -0.32 -0.01 0.08 -0.04 1.99 1.70 2j63B1 GLU 105 HG2 -0.14 -0.01 0.02 -0.04 2.34 2.17 2j63B1 GLU 105 HG3 -0.22 0.01 0.06 -0.04 2.34 2.15 2j63B1 LYS 106 H -0.12 0.05 -0.15 -0.55 8.42 7.64 2j63B1 LYS 106 HA 0.01 0.15 0.34 -0.75 4.32 4.07 2j63B1 LYS 106 HB2 -0.03 0.04 0.07 -0.04 1.87 1.91 2j63B1 LYS 106 HB3 -0.04 -0.11 0.04 -0.04 1.79 1.64 2j63B1 LYS 106 HG2 -0.00 0.05 -0.42 -0.04 1.46 1.04 2j63B1 LYS 106 HG3 -0.00 0.05 -0.04 -0.04 1.46 1.43 2j63B1 LYS 106 HD2 -0.01 -0.00 -0.02 -0.04 1.69 1.62 2j63B1 LYS 106 HD3 -0.01 -0.06 -0.05 -0.04 1.68 1.52 2j63B1 LYS 106 HE2 -0.00 -0.01 -0.03 -0.04 2.99 2.91 2j63B1 LYS 106 HE3 -0.00 0.03 -0.07 -0.04 2.99 2.90 2j63B1 GLU 107 H -0.02 0.16 -0.38 -0.55 8.60 7.82 2j63B1 GLU 107 HA 0.00 0.18 0.52 -0.75 4.29 4.24 2j63B1 GLU 107 HB2 -0.02 0.06 0.13 -0.04 2.09 2.22 2j63B1 GLU 107 HB3 -0.01 -0.04 0.03 -0.04 1.99 1.92 2j63B1 GLU 107 HG2 -0.03 0.30 0.06 -0.04 2.34 2.62 2j63B1 GLU 107 HG3 -0.05 0.08 -0.01 -0.04 2.34 2.32 2j63B1 ILE 108 H 0.07 0.27 -0.15 -0.55 8.25 7.89 2j63B1 ILE 108 HA -0.02 0.24 1.04 -0.75 4.18 4.69 2j63B1 ILE 108 HB 0.03 -0.05 -0.00 -0.04 1.89 1.83 2j63B1 ILE 108 HG12 0.18 0.06 0.02 -0.04 1.49 1.71 2j63B1 ILE 108 HG13 0.24 0.06 -0.16 -0.04 1.21 1.31 2j63B1 ILE 108 HG23 -0.08 -0.01 -0.09 -0.04 0.93 0.71 2j63B1 ILE 108 HD13 0.34 -0.00 -0.13 -0.04 0.88 1.04 2j63B1 TRP 109 H 0.28 0.56 0.05 -0.55 7.97 8.31 2j63B1 TRP 109 HA -0.06 0.17 0.76 -0.75 4.62 4.73 2j63B1 TRP 109 HB2 -0.03 0.07 0.07 -0.04 3.23 3.30 2j63B1 TRP 109 HB3 -0.01 0.04 0.14 -0.04 3.23 3.36 2j63B1 TRP 109 HD1 0.04 -0.03 0.03 -0.04 7.22 7.22 2j63B1 TRP 109 HE1 0.20 0.08 -0.02 -0.04 10.20 10.41 2j63B1 TRP 109 HE3 0.02 0.08 -0.08 -0.04 7.59 7.56 2j63B1 TRP 109 HZ2 0.24 0.11 -0.16 -0.04 7.44 7.59 2j63B1 TRP 109 HZ3 0.06 -0.04 -0.37 -0.04 7.13 6.74 2j63B1 TRP 109 HH2 0.17 -0.08 -0.03 -0.04 7.19 7.20 2j63B1 SER 110 H 0.03 0.01 -0.61 -0.55 8.46 7.34 2j63B1 SER 110 HA 0.04 0.08 0.43 -0.75 4.49 4.28 2j63B1 SER 110 HB2 -0.01 -0.02 0.02 -0.04 3.95 3.90 2j63B1 SER 110 HB3 -0.00 -0.01 -0.07 -0.04 3.93 3.80 2j63B1 ASP 111 H -0.08 0.12 -0.13 -0.55 8.40 7.75 2j63B1 ASP 111 HA -0.04 0.13 0.42 -0.75 4.63 4.39 2j63B1 ASP 111 HB2 -0.10 0.03 0.02 -0.04 2.71 2.61 2j63B1 ASP 111 HB3 -0.06 0.01 0.11 -0.04 2.70 2.72 2j63B1 VAL 112 H -0.11 0.06 -0.80 -0.55 8.24 6.85 2j63B1 VAL 112 HA -0.26 0.25 0.57 -0.75 4.13 3.94 2j63B1 VAL 112 HB 0.02 0.03 0.01 -0.04 2.12 2.14 2j63B1 VAL 112 HG13 -0.08 0.05 -0.30 -0.04 0.97 0.60 2j63B1 VAL 112 HG23 -1.12 -0.03 -0.04 -0.04 0.95 -0.28 2j63B1 VAL 113 H -0.02 0.39 0.18 -0.55 8.24 8.23 2j63B1 VAL 113 HA 0.05 0.19 0.93 -0.75 4.13 4.55 2j63B1 VAL 113 HB 0.04 -0.01 0.07 -0.04 2.12 2.17 2j63B1 VAL 113 HG13 0.01 0.02 -0.15 -0.04 0.97 0.81 2j63B1 VAL 113 HG23 0.05 0.00 -0.11 -0.04 0.95 0.85 2j63B1 PRO 114 HA 0.14 0.20 0.40 -0.51 4.44 4.66 2j63B1 PRO 114 HB2 0.04 -0.02 -0.07 -0.04 2.28 2.18 2j63B1 PRO 114 HB3 0.06 0.02 0.06 -0.04 2.02 2.12 2j63B1 PRO 114 HG2 0.03 -0.02 0.07 -0.04 2.03 2.08 2j63B1 PRO 114 HG3 0.06 0.05 0.11 -0.04 2.03 2.21 2j63B1 PRO 114 HD2 0.04 0.05 0.19 -0.04 3.68 3.92 2j63B1 PRO 114 HD3 0.06 0.20 0.24 -0.04 3.65 4.11 2j63B1 PHE 115 H 0.23 0.16 0.04 -0.55 8.34 8.22 2j63B1 PHE 115 HA 0.04 0.11 0.58 -0.75 4.62 4.60 2j63B1 PHE 115 HB2 0.07 -0.04 -0.05 -0.04 3.15 3.09 2j63B1 PHE 115 HB3 0.03 0.04 0.11 -0.04 3.06 3.19 2j63B1 PHE 115 HD2 -0.13 0.02 -0.03 -0.04 7.28 7.10 2j63B1 PHE 115 HE2 -0.91 0.04 -0.01 -0.04 7.38 6.47 2j63B1 PHE 115 HZ -0.10 -0.02 0.05 -0.04 7.32 7.20 2j63B1 VAL 116 H -0.20 0.27 0.12 -0.55 8.24 7.89 2j63B1 VAL 116 HA -0.46 0.12 0.89 -0.75 4.13 3.93 2j63B1 VAL 116 HB -0.12 0.00 -0.09 -0.04 2.12 1.88 2j63B1 VAL 116 HG13 -0.05 0.02 0.03 -0.04 0.97 0.93 2j63B1 VAL 116 HG23 -0.12 0.01 -0.11 -0.04 0.95 0.69 2j63B1 ARG 117 H -0.79 0.14 0.02 -0.55 8.46 7.28 2j63B1 ARG 117 HA -0.37 -0.01 0.42 -0.75 4.34 3.63 2j63B1 ARG 117 HB2 -0.30 0.01 0.12 -0.04 1.90 1.69 2j63B1 ARG 117 HB3 -0.28 0.03 0.14 -0.04 1.80 1.65 2j63B1 ARG 117 HG2 -0.26 -0.01 -0.14 -0.04 1.67 1.22 2j63B1 ARG 117 HG3 -0.15 -0.06 0.02 -0.04 1.67 1.44 2j63B1 ARG 117 HD2 -0.69 0.01 -0.03 -0.04 3.22 2.46 2j63B1 ARG 117 HD3 -0.39 -0.00 0.00 -0.04 3.22 2.79 2j63B1 ARG 118 H 0.27 0.09 0.22 -0.55 8.46 8.50 2j63B1 ARG 118 HA -0.01 0.12 0.43 -0.75 4.34 4.12 2j63B1 ARG 118 HB2 0.02 0.02 0.20 -0.04 1.90 2.10 2j63B1 ARG 118 HB3 0.00 0.03 0.05 -0.04 1.80 1.84 2j63B1 ARG 118 HG2 -0.02 -0.04 0.16 -0.04 1.67 1.73 2j63B1 ARG 118 HG3 -0.04 0.02 0.10 -0.04 1.67 1.70 2j63B1 ARG 118 HD2 -0.06 0.04 0.06 -0.04 3.22 3.23 2j63B1 ARG 118 HD3 -0.04 -0.05 0.06 -0.04 3.22 3.15 2j63B1 THR 119 H -0.11 -0.01 -0.21 -0.55 8.28 7.41 2j63B1 THR 119 HA 0.01 0.27 1.02 -0.75 4.39 4.93 2j63B1 THR 119 HB 0.15 0.03 0.04 -0.04 4.32 4.50 2j63B1 THR 119 HG23 0.09 0.01 -0.17 -0.04 1.22 1.10 2j63B1 THR 120 H 0.07 0.17 0.14 -0.55 8.28 8.12 2j63B1 THR 120 HA -0.05 0.23 0.69 -0.75 4.39 4.50 2j63B1 THR 120 HB 0.01 -0.00 0.12 -0.04 4.32 4.40 2j63B1 THR 120 HG23 -0.01 0.05 -0.11 -0.04 1.22 1.10 2j63B1 ASP 121 H 0.05 0.19 0.09 -0.55 8.40 8.20 2j63B1 ASP 121 HA 0.42 0.09 0.18 -0.75 4.63 4.58 2j63B1 ASP 121 HB2 0.08 -0.02 0.09 -0.04 2.71 2.81 2j63B1 ASP 121 HB3 0.12 0.09 0.05 -0.04 2.70 2.93 2j63B1 SER 122 H 0.10 0.01 -0.39 -0.55 8.46 7.64 2j63B1 SER 122 HA 0.06 0.24 0.65 -0.75 4.49 4.70 2j63B1 SER 122 HB2 0.03 0.05 0.12 -0.04 3.95 4.11 2j63B1 SER 122 HB3 0.04 -0.02 0.03 -0.04 3.93 3.94 2j63B1 ASP 123 H 0.23 0.48 -0.24 -0.55 8.40 8.33 2j63B1 ASP 123 HA 0.07 0.10 0.60 -0.75 4.63 4.65 2j63B1 ASP 123 HB2 0.54 0.09 0.05 -0.04 2.71 3.35 2j63B1 ASP 123 HB3 0.31 0.00 0.02 -0.04 2.70 3.00 2j63B1 PHE 124 H 0.02 0.26 -0.34 -0.55 8.34 7.73 2j63B1 PHE 124 HA -0.88 0.00 0.43 -0.75 4.62 3.42 2j63B1 PHE 124 HB2 -1.32 -0.04 0.02 -0.04 3.15 1.78 2j63B1 PHE 124 HB3 -0.42 0.07 0.05 -0.04 3.06 2.72 2j63B1 PHE 124 HD2 -1.59 -0.02 -0.17 -0.04 7.28 5.46 2j63B1 PHE 124 HE2 -0.38 0.03 -0.20 -0.04 7.38 6.79 2j63B1 PHE 124 HZ -0.20 -0.05 -0.49 -0.04 7.32 6.53 2j63B1 ASP 125 H -0.89 0.17 0.10 -0.55 8.40 7.22 2j63B1 ASP 125 HA -0.32 0.22 0.83 -0.75 4.63 4.60 2j63B1 ASP 125 HB2 -0.25 0.13 0.02 -0.04 2.71 2.57 2j63B1 ASP 125 HB3 -0.40 -0.01 0.17 -0.04 2.70 2.42 2j63B1 PRO 126 HA -0.29 0.16 0.31 -0.51 4.44 4.11 2j63B1 PRO 126 HB2 -0.03 -0.00 -0.00 -0.04 2.28 2.21 2j63B1 PRO 126 HB3 0.09 0.06 0.09 -0.04 2.02 2.22 2j63B1 PRO 126 HG2 0.01 0.02 0.04 -0.04 2.03 2.06 2j63B1 PRO 126 HG3 0.17 0.07 -0.03 -0.04 2.03 2.20 2j63B1 PRO 126 HD2 -0.13 0.04 0.16 -0.04 3.68 3.71 2j63B1 PRO 126 HD3 -0.18 0.48 0.08 -0.04 3.65 3.99 2j63B1 SER 127 H -0.19 0.03 -0.35 -0.55 8.46 7.41 2j63B1 SER 127 HA -0.02 0.24 0.84 -0.75 4.49 4.80 2j63B1 SER 127 HB2 -0.04 0.03 0.14 -0.04 3.95 4.04 2j63B1 SER 127 HB3 -0.05 -0.05 0.03 -0.04 3.93 3.81 2j63B1 ARG 128 H -0.33 0.27 -0.10 -0.55 8.46 7.76 2j63B1 ARG 128 HA -0.71 0.31 0.91 -0.75 4.34 4.09 2j63B1 ARG 128 HB2 -0.27 -0.11 0.04 -0.04 1.90 1.53 2j63B1 ARG 128 HB3 -0.32 -0.03 0.19 -0.04 1.80 1.61 2j63B1 ARG 128 HG2 -0.23 0.08 0.12 -0.04 1.67 1.59 2j63B1 ARG 128 HG3 -0.22 0.16 -0.18 -0.04 1.67 1.40 2j63B1 ARG 128 HD2 -0.15 -0.07 -0.05 -0.04 3.22 2.90 2j63B1 ARG 128 HD3 -0.13 -0.02 0.00 -0.04 3.22 3.03 2j63B1 MET 129 H -0.41 0.24 0.10 -0.55 8.47 7.86 2j63B1 MET 129 HA -0.27 0.38 0.93 -0.75 4.52 4.80 2j63B1 MET 129 HB2 -1.10 -0.05 -0.06 -0.04 2.15 0.90 2j63B1 MET 129 HB3 -0.17 -0.05 -0.04 -0.04 2.03 1.73 2j63B1 MET 129 HG2 -0.13 0.02 -0.23 -0.04 2.63 2.25 2j63B1 MET 129 HG3 -0.35 -0.03 -0.53 -0.04 2.56 1.61 2j63B1 MET 129 HE3 -0.13 0.03 -0.01 -0.04 2.10 1.95 2j63B1 TYR 130 H -0.05 0.59 0.32 -0.55 8.29 8.60 2j63B1 TYR 130 HA 0.03 0.18 0.90 -0.75 4.56 4.91 2j63B1 TYR 130 HB2 -0.40 -0.04 -0.01 -0.04 3.06 2.58 2j63B1 TYR 130 HB3 -0.40 -0.06 -0.01 -0.04 2.98 2.47 2j63B1 TYR 130 HD2 0.08 -0.00 -0.08 -0.04 7.15 7.11 2j63B1 TYR 130 HE2 -0.20 0.03 -0.13 -0.04 6.85 6.51 2j63B1 LYS 131 H 0.03 0.16 0.21 -0.55 8.42 8.27 2j63B1 LYS 131 HA 0.03 0.32 1.06 -0.75 4.32 4.98 2j63B1 LYS 131 HB2 -0.54 0.05 0.00 -0.04 1.87 1.34 2j63B1 LYS 131 HB3 -0.09 -0.15 0.21 -0.04 1.79 1.72 2j63B1 LYS 131 HG2 0.04 -0.04 -0.22 -0.04 1.46 1.20 2j63B1 LYS 131 HG3 0.06 -0.01 -0.04 -0.04 1.46 1.43 2j63B1 LYS 131 HD2 -0.13 0.04 -0.20 -0.04 1.69 1.36 2j63B1 LYS 131 HD3 -0.05 -0.06 -0.11 -0.04 1.68 1.42 2j63B1 LYS 131 HE2 -0.67 -0.10 -0.08 -0.04 2.99 2.10 2j63B1 LYS 131 HE3 -1.07 -0.05 -0.08 -0.04 2.99 1.75 2j63B1 PHE 132 H 0.04 0.78 0.38 -0.55 8.34 8.99 2j63B1 PHE 132 HA 0.20 0.24 1.09 -0.75 4.62 5.40 2j63B1 PHE 132 HB2 -0.02 -0.05 0.03 -0.04 3.15 3.07 2j63B1 PHE 132 HB3 0.31 0.01 -0.01 -0.04 3.06 3.32 2j63B1 PHE 132 HD2 0.10 -0.00 -0.09 -0.04 7.28 7.24 2j63B1 PHE 132 HE2 0.11 0.04 -0.17 -0.04 7.38 7.32 2j63B1 PHE 132 HZ 0.18 0.08 -0.16 -0.04 7.32 7.38 2j63B1 ILE 133 H 0.39 0.54 0.36 -0.55 8.25 8.99 2j63B1 ILE 133 HA 0.51 0.27 0.82 -0.75 4.18 5.03 2j63B1 ILE 133 HB 0.22 0.02 0.10 -0.04 1.89 2.19 2j63B1 ILE 133 HG12 0.33 -0.09 -0.22 -0.04 1.49 1.47 2j63B1 ILE 133 HG13 0.26 0.10 -0.05 -0.04 1.21 1.47 2j63B1 ILE 133 HG23 0.24 -0.02 -0.15 -0.04 0.93 0.96 2j63B1 ILE 133 HD13 0.24 -0.01 -0.16 -0.04 0.88 0.91 2j63B1 THR 134 H 0.32 0.61 0.37 -0.55 8.28 9.04 2j63B1 THR 134 HA 0.18 0.24 1.02 -0.75 4.39 5.07 2j63B1 THR 134 HB -0.14 0.02 -0.05 -0.04 4.32 4.11 2j63B1 THR 134 HG23 -0.23 0.02 -0.01 -0.04 1.22 0.96 2j63B1 TRP 135 H 0.18 0.63 0.25 -0.55 7.97 8.49 2j63B1 TRP 135 HA -0.02 0.09 0.59 -0.75 4.62 4.53 2j63B1 TRP 135 HB2 -0.05 0.06 -0.37 -0.04 3.23 2.83 2j63B1 TRP 135 HB3 -0.08 -0.02 -0.09 -0.04 3.23 3.00 2j63B1 TRP 135 HD1 0.03 -0.11 -0.41 -0.04 7.22 6.69 2j63B1 TRP 135 HE1 0.06 0.58 -0.15 -0.04 10.20 10.65 2j63B1 TRP 135 HE3 -0.37 -0.04 -0.18 -0.04 7.59 6.96 2j63B1 TRP 135 HZ2 -0.05 0.01 -0.30 -0.04 7.44 7.07 2j63B1 TRP 135 HZ3 -0.36 -0.02 -0.16 -0.04 7.13 6.54 2j63B1 TRP 135 HH2 -0.14 0.08 -0.10 -0.04 7.19 6.99 2j63B1 ASN 136 H 0.14 0.23 -0.00 -0.55 8.53 8.35 2j63B1 ASN 136 HA -0.30 0.04 0.88 -0.75 4.76 4.63 2j63B1 ASN 136 HB2 -0.41 -0.04 0.06 -0.04 2.88 2.45 2j63B1 ASN 136 HB3 -0.67 0.04 0.14 -0.04 2.79 2.26 2j63B1 ASN 136 HD21 -0.33 -0.02 -0.04 -0.04 7.03 6.60 2j63B1 ASN 136 HD22 -0.70 0.00 -0.02 -0.04 7.74 6.98 2j63B1 VAL 137 H -0.45 0.42 0.17 -0.55 8.24 7.83 2j63B1 VAL 137 HA -0.89 0.22 0.46 -0.75 4.13 3.16 2j63B1 VAL 137 HB -0.66 0.06 -0.11 -0.04 2.12 1.37 2j63B1 VAL 137 HG13 -1.25 0.04 -0.20 -0.04 0.97 -0.48 2j63B1 VAL 137 HG23 -0.34 -0.02 -0.33 -0.04 0.95 0.22 2j63B1 ALA 138 H -0.30 0.07 -0.09 -0.55 8.40 7.53 2j63B1 ALA 138 HA -0.19 -0.06 0.36 -0.75 4.34 3.70 2j63B1 ALA 138 HB3 -0.02 0.02 0.02 -0.04 1.41 1.39 2j63B1 GLY 139 H -0.22 0.69 -0.01 -0.55 8.43 8.34 2j63B1 GLY 139 HA2 -0.13 0.01 0.18 -0.51 4.01 3.56 2j63B1 GLY 139 HA3 -0.11 0.10 0.69 -0.51 4.01 4.18 2j63B1 LEU 140 H -0.15 0.43 0.17 -0.55 8.37 8.28 2j63B1 LEU 140 HA -0.20 0.11 0.30 -0.75 4.35 3.81 2j63B1 LEU 140 HB2 -0.16 -0.07 0.09 -0.04 1.64 1.45 2j63B1 LEU 140 HB3 -0.12 0.06 0.12 -0.04 1.64 1.66 2j63B1 LEU 140 HG -0.11 -0.00 -0.23 -0.04 1.64 1.26 2j63B1 LEU 140 HD13 -0.12 0.00 -0.05 -0.04 0.93 0.72 2j63B1 LEU 140 HD23 -0.14 0.02 -0.11 -0.04 0.89 0.62 2j63B1 ARG 141 H -0.09 0.00 -0.14 -0.55 8.46 7.68 2j63B1 ARG 141 HA -0.06 0.10 0.38 -0.75 4.34 4.00 2j63B1 ARG 141 HB2 -0.05 0.02 -0.02 -0.04 1.90 1.82 2j63B1 ARG 141 HB3 -0.04 0.04 0.01 -0.04 1.80 1.78 2j63B1 ARG 141 HG2 -0.04 0.03 -0.02 -0.04 1.67 1.59 2j63B1 ARG 141 HG3 -0.06 0.01 -0.01 -0.04 1.67 1.56 2j63B1 ARG 141 HD2 -0.08 0.21 -0.02 -0.04 3.22 3.30 2j63B1 ARG 141 HD3 -0.09 0.00 -0.02 -0.04 3.22 3.07 2j63B1 GLY 142 H -0.07 0.06 -0.19 -0.55 8.43 7.69 2j63B1 GLY 142 HA2 -0.04 0.01 0.36 -0.51 4.01 3.83 2j63B1 GLY 142 HA3 -0.05 0.11 0.28 -0.51 4.01 3.84 2j63B1 LEU 143 H -0.10 0.62 -0.17 -0.55 8.37 8.17 2j63B1 LEU 143 HA -0.06 0.10 0.55 -0.75 4.35 4.19 2j63B1 LEU 143 HB2 -0.21 0.20 0.05 -0.04 1.64 1.64 2j63B1 LEU 143 HB3 -0.17 0.01 0.09 -0.04 1.64 1.53 2j63B1 LEU 143 HG -0.06 -0.07 -0.21 -0.04 1.64 1.25 2j63B1 LEU 143 HD13 -0.12 0.04 -0.05 -0.04 0.93 0.76 2j63B1 LEU 143 HD23 -0.29 -0.03 -0.13 -0.04 0.89 0.40 2j63B1 LEU 144 H -0.07 0.54 -0.15 -0.55 8.37 8.15 2j63B1 LEU 144 HA -0.02 0.09 0.22 -0.75 4.35 3.88 2j63B1 LEU 144 HB2 -0.05 0.11 0.15 -0.04 1.64 1.81 2j63B1 LEU 144 HB3 -0.02 -0.06 0.02 -0.04 1.64 1.54 2j63B1 LEU 144 HG -0.05 -0.00 -0.03 -0.04 1.64 1.51 2j63B1 LEU 144 HD13 -0.04 -0.01 -0.05 -0.04 0.93 0.78 2j63B1 LEU 144 HD23 0.00 -0.02 0.02 -0.04 0.89 0.84 2j63B1 LYS 145 H -0.03 0.53 -0.25 -0.55 8.42 8.11 2j63B1 LYS 145 HA -0.01 0.06 0.67 -0.75 4.32 4.29 2j63B1 LYS 145 HB2 -0.02 0.13 0.06 -0.04 1.87 2.00 2j63B1 LYS 145 HB3 -0.01 -0.03 0.01 -0.04 1.79 1.72 2j63B1 LYS 145 HG2 -0.01 -0.03 0.03 -0.04 1.46 1.41 2j63B1 LYS 145 HG3 -0.01 -0.01 -0.05 -0.04 1.46 1.34 2j63B1 LYS 145 HD2 -0.02 0.01 -0.08 -0.04 1.69 1.55 2j63B1 LYS 145 HD3 -0.02 -0.03 -0.07 -0.04 1.68 1.53 2j63B1 LYS 145 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2j63B1 LYS 145 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.92 2j63B1 LYS 146 H -0.02 0.44 -0.22 -0.55 8.42 8.07 2j63B1 LYS 146 HA -0.00 0.03 0.66 -0.75 4.32 4.25 2j63B1 LYS 146 HB2 -0.01 0.23 0.24 -0.04 1.87 2.29 2j63B1 LYS 146 HB3 0.01 -0.07 0.07 -0.04 1.79 1.76 2j63B1 LYS 146 HG2 -0.01 -0.05 0.03 -0.04 1.46 1.38 2j63B1 LYS 146 HG3 -0.01 0.02 0.05 -0.04 1.46 1.48 2j63B1 LYS 146 HD2 0.00 -0.01 0.04 -0.04 1.69 1.68 2j63B1 LYS 146 HD3 0.00 -0.01 0.10 -0.04 1.68 1.72 2j63B1 LYS 146 HE2 -0.00 -0.00 0.01 -0.04 2.99 2.95 2j63B1 LYS 146 HE3 -0.00 -0.03 0.02 -0.04 2.99 2.94 2j63B1 ASN 147 H 0.00 0.19 -0.59 -0.55 8.53 7.59 2j63B1 ASN 147 HA 0.01 0.10 0.70 -0.75 4.76 4.82 2j63B1 ASN 147 HB2 0.02 0.16 -0.18 -0.04 2.88 2.84 2j63B1 ASN 147 HB3 0.03 0.07 0.02 -0.04 2.79 2.87 2j63B1 ASN 147 HD21 0.05 -0.02 -0.07 -0.04 7.03 6.94 2j63B1 ASN 147 HD22 0.05 0.09 -0.04 -0.04 7.74 7.80 2j63B1 ALA 148 H 0.01 0.16 0.11 -0.55 8.40 8.14 2j63B1 ALA 148 HA 0.01 0.29 0.30 -0.75 4.34 4.19 2j63B1 ALA 148 HB3 0.01 0.00 0.14 -0.04 1.41 1.52 2j63B1 SER 149 H 0.03 0.09 -0.48 -0.55 8.46 7.54 2j63B1 SER 149 HA 0.03 0.16 0.70 -0.75 4.49 4.63 2j63B1 SER 149 HB2 0.03 0.05 0.01 -0.04 3.95 4.00 2j63B1 SER 149 HB3 0.04 -0.05 0.09 -0.04 3.93 3.97 2j63B1 ALA 150 H 0.04 0.71 -0.08 -0.55 8.40 8.52 2j63B1 ALA 150 HA 0.10 0.02 0.21 -0.75 4.34 3.92 2j63B1 ALA 150 HB3 0.08 0.04 0.04 -0.04 1.41 1.53 2j63B1 LEU 151 H 0.04 0.13 -0.27 -0.55 8.37 7.74 2j63B1 LEU 151 HA 0.11 0.13 0.53 -0.75 4.35 4.36 2j63B1 LEU 151 HB2 0.01 -0.01 0.01 -0.04 1.64 1.60 2j63B1 LEU 151 HB3 -0.07 0.08 -0.18 -0.04 1.64 1.44 2j63B1 LEU 151 HG -0.02 0.09 -0.07 -0.04 1.64 1.60 2j63B1 LEU 151 HD13 -0.16 0.00 -0.09 -0.04 0.93 0.65 2j63B1 LEU 151 HD23 -0.02 -0.01 -0.14 -0.04 0.89 0.67 2j63B1 ARG 152 H 0.04 0.09 -0.13 -0.55 8.46 7.92 2j63B1 ARG 152 HA 0.02 0.06 0.47 -0.75 4.34 4.13 2j63B1 ARG 152 HB2 0.04 0.03 0.15 -0.04 1.90 2.08 2j63B1 ARG 152 HB3 0.04 -0.02 0.08 -0.04 1.80 1.87 2j63B1 ARG 152 HG2 0.04 0.08 0.09 -0.04 1.67 1.83 2j63B1 ARG 152 HG3 0.04 -0.03 0.16 -0.04 1.67 1.79 2j63B1 ARG 152 HD2 0.03 -0.04 0.04 -0.04 3.22 3.21 2j63B1 ARG 152 HD3 0.04 -0.01 0.04 -0.04 3.22 3.25 2j63B1 ALA 153 H 0.07 0.72 -0.08 -0.55 8.40 8.56 2j63B1 ALA 153 HA 0.04 0.03 0.23 -0.75 4.34 3.89 2j63B1 ALA 153 HB3 0.06 0.01 -0.00 -0.04 1.41 1.44 2j63B1 PHE 154 H 0.20 0.29 -0.31 -0.55 8.34 7.96 2j63B1 PHE 154 HA -0.03 0.06 0.42 -0.75 4.62 4.32 2j63B1 PHE 154 HB2 -0.01 0.03 0.09 -0.04 3.15 3.22 2j63B1 PHE 154 HB3 0.01 0.07 0.15 -0.04 3.06 3.25 2j63B1 PHE 154 HD2 -0.09 0.00 -0.13 -0.04 7.28 7.02 2j63B1 PHE 154 HE2 -0.10 -0.01 -0.12 -0.04 7.38 7.10 2j63B1 PHE 154 HZ -0.09 -0.02 -0.13 -0.04 7.32 7.05 2j63B1 MET 155 H 0.05 0.52 -0.14 -0.55 8.47 8.35 2j63B1 MET 155 HA -0.24 0.04 0.46 -0.75 4.52 4.03 2j63B1 MET 155 HB2 -0.10 0.06 0.10 -0.04 2.15 2.18 2j63B1 MET 155 HB3 -0.28 -0.02 -0.04 -0.04 2.03 1.66 2j63B1 MET 155 HG2 -0.08 0.15 0.10 -0.04 2.63 2.76 2j63B1 MET 155 HG3 -0.38 -0.06 -0.07 -0.04 2.56 2.01 2j63B1 MET 155 HE3 -1.36 -0.00 -0.15 -0.04 2.10 0.55 2j63B1 GLU 156 H -0.03 0.48 -0.19 -0.55 8.60 8.32 2j63B1 GLU 156 HA 0.02 0.03 0.43 -0.75 4.29 4.01 2j63B1 GLU 156 HB2 0.02 0.03 0.11 -0.04 2.09 2.21 2j63B1 GLU 156 HB3 0.00 0.07 0.13 -0.04 1.99 2.16 2j63B1 GLU 156 HG2 0.01 -0.06 -0.05 -0.04 2.34 2.21 2j63B1 GLU 156 HG3 0.00 0.04 -0.24 -0.04 2.34 2.09 2j63B1 ALA 157 H -0.08 0.50 -0.14 -0.55 8.40 8.14 2j63B1 ALA 157 HA -0.05 0.02 0.40 -0.75 4.34 3.96 2j63B1 ALA 157 HB3 -0.07 -0.02 0.08 -0.04 1.41 1.37 2j63B1 GLU 158 H -0.24 0.18 -0.55 -0.55 8.60 7.44 2j63B1 GLU 158 HA -0.15 0.16 0.84 -0.75 4.29 4.38 2j63B1 GLU 158 HB2 -0.76 0.08 -0.03 -0.04 2.09 1.34 2j63B1 GLU 158 HB3 -0.49 -0.02 -0.07 -0.04 1.99 1.37 2j63B1 GLU 158 HG2 -0.27 -0.07 -0.11 -0.04 2.34 1.85 2j63B1 GLU 158 HG3 -0.14 -0.02 -0.04 -0.04 2.34 2.10 2j63B1 LYS 159 H -0.08 0.66 0.08 -0.55 8.42 8.52 2j63B1 LYS 159 HA 0.13 0.04 0.34 -0.75 4.32 4.07 2j63B1 LYS 159 HB2 -0.00 0.06 -0.07 -0.04 1.87 1.82 2j63B1 LYS 159 HB3 0.05 -0.10 0.15 -0.04 1.79 1.86 2j63B1 LYS 159 HG2 0.04 0.07 0.06 -0.04 1.46 1.59 2j63B1 LYS 159 HG3 -0.01 0.06 -0.22 -0.04 1.46 1.25 2j63B1 LYS 159 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.63 2j63B1 LYS 159 HD3 0.04 -0.07 0.01 -0.04 1.68 1.62 2j63B1 LYS 159 HE2 0.02 -0.09 -0.00 -0.04 2.99 2.87 2j63B1 LYS 159 HE3 0.02 0.11 0.01 -0.04 2.99 3.08 2j63B1 PRO 160 HA 0.02 0.08 0.42 -0.51 4.44 4.45 2j63B1 PRO 160 HB2 0.18 0.06 -0.22 -0.04 2.28 2.27 2j63B1 PRO 160 HB3 0.07 0.00 -0.14 -0.04 2.02 1.91 2j63B1 PRO 160 HG2 0.11 -0.03 -0.19 -0.04 2.03 1.89 2j63B1 PRO 160 HG3 0.07 -0.01 -0.14 -0.04 2.03 1.91 2j63B1 PRO 160 HD2 -0.03 0.05 0.05 -0.04 3.68 3.71 2j63B1 PRO 160 HD3 -0.17 0.05 -0.30 -0.04 3.65 3.19 2j63B1 ASP 161 H 0.08 0.48 0.38 -0.55 8.40 8.79 2j63B1 ASP 161 HA 0.10 0.01 0.55 -0.75 4.63 4.53 2j63B1 ASP 161 HB2 -0.02 0.10 0.21 -0.04 2.71 2.96 2j63B1 ASP 161 HB3 0.00 -0.02 0.04 -0.04 2.70 2.68 2j63B1 VAL 162 H 0.30 0.36 0.22 -0.55 8.24 8.57 2j63B1 VAL 162 HA 0.32 0.29 0.47 -0.75 4.13 4.46 2j63B1 VAL 162 HB 0.23 0.09 0.23 -0.04 2.12 2.63 2j63B1 VAL 162 HG13 0.48 -0.01 -0.18 -0.04 0.97 1.21 2j63B1 VAL 162 HG23 0.24 -0.02 -0.18 -0.04 0.95 0.95 2j63B1 LEU 163 H 0.34 0.51 0.19 -0.55 8.37 8.86 2j63B1 LEU 163 HA 0.30 0.27 0.99 -0.75 4.35 5.15 2j63B1 LEU 163 HB2 0.20 0.04 -0.09 -0.04 1.64 1.74 2j63B1 LEU 163 HB3 0.19 -0.05 0.07 -0.04 1.64 1.81 2j63B1 LEU 163 HG 0.25 -0.03 -0.48 -0.04 1.64 1.34 2j63B1 LEU 163 HD13 0.33 0.03 -0.20 -0.04 0.93 1.05 2j63B1 LEU 163 HD23 -0.07 -0.01 -0.15 -0.04 0.89 0.62 2j63B1 CYS 164 H 0.25 0.71 0.38 -0.55 8.50 9.29 2j63B1 CYS 164 HA 0.17 0.20 0.96 -0.75 4.58 5.15 2j63B1 CYS 164 HB2 0.13 -0.04 0.20 -0.04 2.97 3.22 2j63B1 CYS 164 HB3 0.09 -0.06 -0.06 -0.04 2.97 2.90 2j63B1 LEU 165 H 0.09 0.78 0.45 -0.55 8.37 9.14 2j63B1 LEU 165 HA 0.01 0.43 1.10 -0.75 4.35 5.13 2j63B1 LEU 165 HB2 0.01 -0.04 0.10 -0.04 1.64 1.68 2j63B1 LEU 165 HB3 -0.11 -0.07 0.02 -0.04 1.64 1.43 2j63B1 LEU 165 HG 0.22 0.04 -0.28 -0.04 1.64 1.58 2j63B1 LEU 165 HD13 0.08 -0.01 -0.13 -0.04 0.93 0.83 2j63B1 LEU 165 HD23 0.08 0.03 -0.18 -0.04 0.89 0.78 2j63B1 GLN 166 H -0.17 0.40 0.34 -0.55 8.47 8.49 2j63B1 GLN 166 HA -0.17 0.28 0.79 -0.75 4.36 4.51 2j63B1 GLN 166 HB2 -0.26 -0.05 0.17 -0.04 2.15 1.98 2j63B1 GLN 166 HB3 -0.04 0.13 -0.06 -0.04 2.02 2.01 2j63B1 GLN 166 HG2 -0.24 -0.09 0.01 -0.04 2.40 2.04 2j63B1 GLN 166 HG3 -0.00 0.01 0.09 -0.04 2.39 2.44 2j63B1 GLN 166 HE21 -0.03 0.04 -0.28 -0.04 6.97 6.65 2j63B1 GLN 166 HE22 -0.13 -0.04 -0.19 -0.04 7.69 7.29 2j63B1 GLU 167 H -0.58 0.39 0.15 -0.55 8.60 8.02 2j63B1 GLU 167 HA -0.52 0.21 0.33 -0.75 4.29 3.56 2j63B1 GLU 167 HB2 -0.46 -0.04 0.16 -0.04 2.09 1.71 2j63B1 GLU 167 HB3 -0.36 -0.06 0.29 -0.04 1.99 1.82 2j63B1 GLU 167 HG2 -0.96 -0.01 0.13 -0.04 2.34 1.46 2j63B1 GLU 167 HG3 -1.32 0.01 -0.03 -0.04 2.34 0.96 2j63B1 THR 168 H -0.22 0.40 -0.25 -0.55 8.28 7.66 2j63B1 THR 168 HA -0.18 0.04 0.39 -0.75 4.39 3.88 2j63B1 THR 168 HB -0.12 0.03 -0.07 -0.04 4.32 4.11 2j63B1 THR 168 HG23 -0.12 0.06 -0.33 -0.04 1.22 0.79 2j63B1 LYS 169 H -0.16 0.67 -0.11 -0.55 8.42 8.26 2j63B1 LYS 169 HA -0.07 0.11 -0.08 -0.75 4.32 3.53 2j63B1 LYS 169 HB2 -0.10 0.01 -0.21 -0.04 1.87 1.52 2j63B1 LYS 169 HB3 -0.05 -0.02 -0.04 -0.04 1.79 1.63 2j63B1 LYS 169 HG2 -0.10 -0.05 -0.34 -0.04 1.46 0.92 2j63B1 LYS 169 HG3 -0.18 -0.01 -0.33 -0.04 1.46 0.90 2j63B1 LYS 169 HD2 -0.08 -0.05 -0.12 -0.04 1.69 1.39 2j63B1 LYS 169 HD3 -0.05 0.17 -0.08 -0.04 1.68 1.69 2j63B1 LYS 169 HE2 -0.16 -0.09 -0.05 -0.04 2.99 2.64 2j63B1 LYS 169 HE3 -0.14 -0.06 -0.40 -0.04 2.99 2.36 2j63B1 LEU 170 H -0.07 -0.04 -0.54 -0.55 8.37 7.18 2j63B1 LEU 170 HA -0.04 0.07 0.48 -0.75 4.35 4.11 2j63B1 LEU 170 HB2 -0.04 -0.06 -0.07 -0.04 1.64 1.43 2j63B1 LEU 170 HB3 -0.03 0.09 -0.01 -0.04 1.64 1.64 2j63B1 LEU 170 HG -0.08 -0.11 -0.18 -0.04 1.64 1.23 2j63B1 LEU 170 HD13 -0.07 0.03 -0.09 -0.04 0.93 0.76 2j63B1 LEU 170 HD23 -0.06 0.01 -0.08 -0.04 0.89 0.73 2j63B1 ASN 171 H -0.02 0.14 0.17 -0.55 8.53 8.27 2j63B1 ASN 171 HA -0.00 0.23 0.80 -0.75 4.76 5.03 2j63B1 ASN 171 HB2 -0.01 -0.00 0.12 -0.04 2.88 2.95 2j63B1 ASN 171 HB3 -0.01 -0.05 0.05 -0.04 2.79 2.75 2j63B1 ASN 171 HD21 -0.01 0.07 0.01 -0.04 7.03 7.05 2j63B1 ASN 171 HD22 -0.01 0.00 0.04 -0.04 7.74 7.73 2j63B1 VAL 172 H 0.00 0.23 0.12 -0.55 8.24 8.04 2j63B1 VAL 172 HA 0.01 0.14 -0.02 -0.75 4.13 3.50 2j63B1 VAL 172 HB 0.01 0.14 -0.24 -0.04 2.12 1.99 2j63B1 VAL 172 HG13 0.01 -0.01 0.01 -0.04 0.97 0.94 2j63B1 VAL 172 HG23 0.02 0.01 -0.06 -0.04 0.95 0.88 2j63B1 ASP 173 H 0.00 0.04 -0.15 -0.55 8.40 7.74 2j63B1 ASP 173 HA 0.01 0.18 0.57 -0.75 4.63 4.64 2j63B1 ASP 173 HB2 0.00 0.03 0.12 -0.04 2.71 2.82 2j63B1 ASP 173 HB3 0.00 0.03 0.06 -0.04 2.70 2.76 2j63B1 GLU 174 H 0.01 0.36 -0.50 -0.55 8.60 7.91 2j63B1 GLU 174 HA 0.01 0.16 0.64 -0.75 4.29 4.35 2j63B1 GLU 174 HB2 0.00 0.11 0.12 -0.04 2.09 2.29 2j63B1 GLU 174 HB3 0.00 -0.06 0.13 -0.04 1.99 2.02 2j63B1 GLU 174 HG2 -0.00 0.07 -0.11 -0.04 2.34 2.25 2j63B1 GLU 174 HG3 -0.00 -0.13 -0.16 -0.04 2.34 2.01 2j63B1 ALA 175 H 0.01 0.36 -0.40 -0.55 8.40 7.82 2j63B1 ALA 175 HA 0.03 0.10 0.24 -0.75 4.34 3.96 2j63B1 ALA 175 HB3 0.02 0.03 0.06 -0.04 1.41 1.48 2j63B1 ASP 176 H 0.02 0.12 -0.06 -0.55 8.40 7.93 2j63B1 ASP 176 HA 0.03 0.11 0.41 -0.75 4.63 4.44 2j63B1 ASP 176 HB2 0.02 -0.06 0.08 -0.04 2.71 2.70 2j63B1 ASP 176 HB3 0.02 0.07 -0.08 -0.04 2.70 2.67 2j63B1 ALA 177 H 0.02 0.04 -0.18 -0.55 8.40 7.73 2j63B1 ALA 177 HA 0.02 0.06 0.37 -0.75 4.34 4.04 2j63B1 ALA 177 HB3 0.01 0.01 0.04 -0.04 1.41 1.43 2j63B1 ASN 178 H 0.03 0.63 -0.21 -0.55 8.53 8.42 2j63B1 ASN 178 HA -0.00 -0.01 0.52 -0.75 4.76 4.51 2j63B1 ASN 178 HB2 0.05 0.14 0.10 -0.04 2.88 3.13 2j63B1 ASN 178 HB3 0.04 -0.04 -0.05 -0.04 2.79 2.70 2j63B1 ASN 178 HD21 0.00 0.17 -0.10 -0.04 7.03 7.06 2j63B1 ASN 178 HD22 0.02 0.01 -0.19 -0.04 7.74 7.54 2j63B1 ALA 179 H 0.09 0.57 0.03 -0.55 8.40 8.54 2j63B1 ALA 179 HA 0.43 0.04 0.26 -0.75 4.34 4.33 2j63B1 ALA 179 HB3 0.08 -0.01 0.09 -0.04 1.41 1.53 2j63B1 THR 180 H 0.09 0.28 -0.51 -0.55 8.28 7.59 2j63B1 THR 180 HA 0.13 0.17 0.86 -0.75 4.39 4.80 2j63B1 THR 180 HB 0.06 -0.06 0.14 -0.04 4.32 4.41 2j63B1 THR 180 HG23 0.06 -0.02 -0.10 -0.04 1.22 1.13 2j63B1 LEU 181 H 0.03 0.50 -0.27 -0.55 8.37 8.08 2j63B1 LEU 181 HA -0.00 0.06 0.95 -0.75 4.35 4.60 2j63B1 LEU 181 HB2 -0.02 0.05 0.08 -0.04 1.64 1.71 2j63B1 LEU 181 HB3 -0.05 0.10 0.22 -0.04 1.64 1.86 2j63B1 LEU 181 HG -0.08 0.02 -0.31 -0.04 1.64 1.23 2j63B1 LEU 181 HD13 -0.03 -0.02 -0.01 -0.04 0.93 0.83 2j63B1 LEU 181 HD23 -0.06 -0.04 -0.10 -0.04 0.89 0.65 2j63B1 GLY 182 H -0.01 0.15 0.11 -0.55 8.43 8.14 2j63B1 GLY 182 HA2 0.01 0.00 0.26 -0.51 4.01 3.77 2j63B1 GLY 182 HA3 -0.04 0.04 0.36 -0.51 4.01 3.86 2j63B1 VAL 183 H 0.07 0.05 -0.32 -0.55 8.24 7.50 2j63B1 VAL 183 HA 0.33 0.14 0.49 -0.75 4.13 4.33 2j63B1 VAL 183 HB 0.28 0.14 -0.02 -0.04 2.12 2.48 2j63B1 VAL 183 HG13 0.10 -0.01 -0.05 -0.04 0.97 0.97 2j63B1 VAL 183 HG23 0.17 -0.01 -0.16 -0.04 0.95 0.91 2j63B1 VAL 184 H 0.30 0.31 0.09 -0.55 8.24 8.38 2j63B1 VAL 184 HA 0.12 0.05 0.68 -0.75 4.13 4.23 2j63B1 VAL 184 HB 0.12 0.01 -0.07 -0.04 2.12 2.14 2j63B1 VAL 184 HG13 0.02 0.04 -0.15 -0.04 0.97 0.84 2j63B1 VAL 184 HG23 -0.01 0.03 -0.46 -0.04 0.95 0.47 2j63B1 ASP 185 H 0.13 0.10 0.10 -0.55 8.40 8.19 2j63B1 ASP 185 HA 0.14 0.05 0.46 -0.75 4.63 4.52 2j63B1 ASP 185 HB2 0.10 0.01 0.13 -0.04 2.71 2.91 2j63B1 ASP 185 HB3 0.09 0.02 0.04 -0.04 2.70 2.81 2j63B1 GLY 186 H 0.10 0.13 0.20 -0.55 8.43 8.31 2j63B1 GLY 186 HA2 0.00 -0.03 0.40 -0.51 4.01 3.87 2j63B1 GLY 186 HA3 0.02 0.14 0.61 -0.51 4.01 4.27 2j63B1 TYR 187 H 0.27 0.32 -0.11 -0.55 8.29 8.23 2j63B1 TYR 187 HA 0.13 0.17 1.09 -0.75 4.56 5.19 2j63B1 TYR 187 HB2 0.26 0.09 -0.09 -0.04 3.06 3.28 2j63B1 TYR 187 HB3 0.38 0.05 -0.14 -0.04 2.98 3.23 2j63B1 TYR 187 HD2 0.17 0.07 -0.43 -0.04 7.15 6.91 2j63B1 TYR 187 HE2 0.07 0.08 -0.17 -0.04 6.85 6.79 2j63B1 SER 188 H 0.17 0.56 0.33 -0.55 8.46 8.98 2j63B1 SER 188 HA 0.01 0.13 0.85 -0.75 4.49 4.73 2j63B1 SER 188 HB2 0.04 0.02 0.09 -0.04 3.95 4.07 2j63B1 SER 188 HB3 -0.06 0.07 0.09 -0.04 3.93 3.98 2j63B1 PHE 189 H -0.53 0.25 0.19 -0.55 8.34 7.69 2j63B1 PHE 189 HA -0.10 0.33 0.92 -0.75 4.62 5.01 2j63B1 PHE 189 HB2 -0.53 -0.01 -0.16 -0.04 3.15 2.41 2j63B1 PHE 189 HB3 -0.87 -0.01 -0.16 -0.04 3.06 1.98 2j63B1 PHE 189 HD2 -0.10 -0.05 -0.40 -0.04 7.28 6.69 2j63B1 PHE 189 HE2 -0.01 -0.08 -0.15 -0.04 7.38 7.10 2j63B1 PHE 189 HZ -0.01 0.15 0.02 -0.04 7.32 7.44 2j63B1 VAL 190 H 0.08 0.62 0.30 -0.55 8.24 8.70 2j63B1 VAL 190 HA 0.01 0.14 0.87 -0.75 4.13 4.39 2j63B1 VAL 190 HB 0.04 -0.02 0.05 -0.04 2.12 2.15 2j63B1 VAL 190 HG13 0.02 0.00 -0.10 -0.04 0.97 0.85 2j63B1 VAL 190 HG23 -0.01 0.02 -0.22 -0.04 0.95 0.70 2j63B1 ASP 191 H 0.11 0.18 0.12 -0.55 8.40 8.26 2j63B1 ASP 191 HA 0.08 0.16 0.98 -0.75 4.63 5.09 2j63B1 ASP 191 HB2 0.13 0.01 0.05 -0.04 2.71 2.86 2j63B1 ASP 191 HB3 0.07 -0.02 -0.10 -0.04 2.70 2.60 2j63B1 HIS 192 H 0.08 0.70 0.20 -0.55 8.41 8.84 2j63B1 HIS 192 HA 0.01 0.21 0.58 -0.75 4.63 4.67 2j63B1 HIS 192 HB2 -0.00 0.09 -0.11 -0.04 3.26 3.20 2j63B1 HIS 192 HB3 -0.01 -0.05 0.08 -0.04 3.20 3.18 2j63B1 HIS 192 HD2 -0.03 -0.04 -0.35 -0.04 6.97 6.51 2j63B1 HIS 192 HE1 -0.03 0.25 0.00 -0.04 7.75 7.93 2j63B1 PRO 193 HA -0.09 -0.09 0.60 -0.51 4.44 4.36 2j63B1 PRO 193 HB2 -0.02 0.10 -0.41 -0.04 2.28 1.90 2j63B1 PRO 193 HB3 -0.03 -0.08 -0.21 -0.04 2.02 1.66 2j63B1 PRO 193 HG2 0.00 0.02 -0.15 -0.04 2.03 1.87 2j63B1 PRO 193 HG3 0.01 0.06 -0.19 -0.04 2.03 1.87 2j63B1 PRO 193 HD2 0.05 0.19 -0.00 -0.04 3.68 3.88 2j63B1 PRO 193 HD3 0.04 0.07 -0.24 -0.04 3.65 3.48 2j63B1 CYS 194 H -0.04 0.18 0.15 -0.55 8.50 8.24 2j63B1 CYS 194 HA -0.05 -0.01 0.24 -0.75 4.58 4.00 2j63B1 CYS 194 HB2 0.07 -0.04 0.00 -0.04 2.97 2.97 2j63B1 CYS 194 HB3 0.10 0.24 0.18 -0.04 2.97 3.46 2j63B1 ALA 195 H 0.05 0.47 0.31 -0.55 8.40 8.69 2j63B1 ALA 195 HA 0.04 0.05 0.68 -0.75 4.34 4.36 2j63B1 ALA 195 HB3 0.06 0.01 0.11 -0.04 1.41 1.55 2j63B1 PHE 196 H 0.36 0.33 0.12 -0.55 8.34 8.60 2j63B1 PHE 196 HA -0.03 0.13 0.34 -0.75 4.62 4.31 2j63B1 PHE 196 HB2 -0.03 0.02 0.08 -0.04 3.15 3.18 2j63B1 PHE 196 HB3 -0.00 -0.05 -0.00 -0.04 3.06 2.97 2j63B1 PHE 196 HD2 -0.02 0.01 -0.07 -0.04 7.28 7.16 2j63B1 PHE 196 HE2 -0.02 0.00 -0.07 -0.04 7.38 7.26 2j63B1 PHE 196 HZ -0.11 -0.01 -0.06 -0.04 7.32 7.10 2j63B1 LYS 197 H 0.09 0.22 -0.64 -0.55 8.42 7.53 2j63B1 LYS 197 HA -0.28 0.07 0.45 -0.75 4.32 3.80 2j63B1 LYS 197 HB2 -0.54 -0.13 -0.26 -0.04 1.87 0.90 2j63B1 LYS 197 HB3 -0.38 0.05 -0.21 -0.04 1.79 1.21 2j63B1 LYS 197 HG2 -0.57 0.08 0.18 -0.04 1.46 1.10 2j63B1 LYS 197 HG3 -1.14 -0.04 -0.07 -0.04 1.46 0.17 2j63B1 LYS 197 HD2 -0.53 0.07 -0.09 -0.04 1.69 1.10 2j63B1 LYS 197 HD3 -0.41 0.00 0.00 -0.04 1.68 1.24 2j63B1 LYS 197 HE2 -1.08 -0.05 -0.06 -0.04 2.99 1.77 2j63B1 LYS 197 HE3 -0.93 -0.02 -0.04 -0.04 2.99 1.96 2j63B1 ARG 198 H -0.10 0.12 0.05 -0.55 8.46 7.98 2j63B1 ARG 198 HA -0.00 0.10 0.58 -0.75 4.34 4.26 2j63B1 ARG 198 HB2 -0.04 0.03 0.06 -0.04 1.90 1.90 2j63B1 ARG 198 HB3 -0.02 -0.01 0.03 -0.04 1.80 1.76 2j63B1 ARG 198 HG2 -0.02 -0.01 0.01 -0.04 1.67 1.60 2j63B1 ARG 198 HG3 -0.05 0.01 0.03 -0.04 1.67 1.61 2j63B1 ARG 198 HD2 -0.03 0.02 0.00 -0.04 3.22 3.17 2j63B1 ARG 198 HD3 -0.04 0.02 0.01 -0.04 3.22 3.17 2j63B1 GLY 199 H 0.01 0.12 0.04 -0.55 8.43 8.05 2j63B1 GLY 199 HA2 -0.00 0.40 0.37 -0.51 4.01 4.27 2j63B1 GLY 199 HA3 0.01 -0.00 0.43 -0.51 4.01 3.94 2j63B1 TYR 200 H 0.08 0.30 -0.08 -0.55 8.29 8.04 2j63B1 TYR 200 HA -0.03 0.10 0.80 -0.75 4.56 4.67 2j63B1 TYR 200 HB2 -0.03 0.16 -0.60 -0.04 3.06 2.55 2j63B1 TYR 200 HB3 0.01 0.11 -0.28 -0.04 2.98 2.78 2j63B1 TYR 200 HD2 0.10 0.05 -0.10 -0.04 7.15 7.15 2j63B1 TYR 200 HE2 0.15 -0.02 -0.02 -0.04 6.85 6.92 2j63B1 SER 201 H -0.57 0.12 0.15 -0.55 8.46 7.61 2j63B1 SER 201 HA -0.35 0.00 0.42 -0.75 4.49 3.81 2j63B1 SER 201 HB2 -0.17 -0.03 0.06 -0.04 3.95 3.76 2j63B1 SER 201 HB3 0.09 0.11 -0.21 -0.04 3.93 3.87 2j63B1 GLY 202 H -0.03 0.29 0.25 -0.55 8.43 8.40 2j63B1 GLY 202 HA2 -0.10 0.25 0.64 -0.51 4.01 4.29 2j63B1 GLY 202 HA3 -0.11 -0.09 0.67 -0.51 4.01 3.97 2j63B1 THR 203 H -0.05 0.42 0.17 -0.55 8.28 8.27 2j63B1 THR 203 HA -0.04 0.18 0.90 -0.75 4.39 4.68 2j63B1 THR 203 HB 0.04 0.23 -0.20 -0.04 4.32 4.35 2j63B1 THR 203 HG23 0.16 -0.01 -0.22 -0.04 1.22 1.10 2j63B1 ARG 204 H 0.00 0.61 0.32 -0.55 8.46 8.84 2j63B1 ARG 204 HA 0.03 0.27 0.81 -0.75 4.34 4.70 2j63B1 ARG 204 HB2 -0.06 -0.05 -0.07 -0.04 1.90 1.67 2j63B1 ARG 204 HB3 -0.06 -0.12 -0.04 -0.04 1.80 1.54 2j63B1 ARG 204 HG2 -0.18 -0.01 -0.47 -0.04 1.67 0.97 2j63B1 ARG 204 HG3 -0.12 0.13 -0.16 -0.04 1.67 1.48 2j63B1 ARG 204 HD2 -0.19 -0.12 -0.14 -0.04 3.22 2.72 2j63B1 ARG 204 HD3 -0.64 0.05 -0.19 -0.04 3.22 2.41 2j63B1 THR 205 H 0.05 0.62 0.31 -0.55 8.28 8.70 2j63B1 THR 205 HA 0.16 0.30 1.25 -0.75 4.39 5.36 2j63B1 THR 205 HB 0.08 -0.02 0.03 -0.04 4.32 4.37 2j63B1 THR 205 HG23 0.15 0.01 -0.25 -0.04 1.22 1.09 2j63B1 TYR 206 H 0.41 0.67 0.35 -0.55 8.29 9.18 2j63B1 TYR 206 HA 0.27 0.27 1.05 -0.75 4.56 5.40 2j63B1 TYR 206 HB2 0.15 -0.11 0.12 -0.04 3.06 3.18 2j63B1 TYR 206 HB3 0.26 0.05 -0.10 -0.04 2.98 3.15 2j63B1 TYR 206 HD2 0.13 0.05 -0.13 -0.04 7.15 7.17 2j63B1 TYR 206 HE2 -0.00 0.01 -0.11 -0.04 6.85 6.70 2j63B1 MET 207 H 0.35 0.79 0.35 -0.55 8.47 9.40 2j63B1 MET 207 HA 0.25 0.27 0.99 -0.75 4.52 5.28 2j63B1 MET 207 HB2 0.12 -0.04 0.05 -0.04 2.15 2.23 2j63B1 MET 207 HB3 0.09 -0.01 -0.05 -0.04 2.03 2.02 2j63B1 MET 207 HG2 0.12 0.04 -0.11 -0.04 2.63 2.63 2j63B1 MET 207 HG3 0.16 -0.04 -0.61 -0.04 2.56 2.03 2j63B1 MET 207 HE3 0.07 -0.01 -0.22 -0.04 2.10 1.90 2j63B1 LYS 208 H 0.09 0.65 0.28 -0.55 8.42 8.88 2j63B1 LYS 208 HA -0.83 0.17 0.66 -0.75 4.32 3.57 2j63B1 LYS 208 HB2 -0.41 0.24 0.14 -0.04 1.87 1.80 2j63B1 LYS 208 HB3 -0.08 0.02 0.31 -0.04 1.79 1.99 2j63B1 LYS 208 HG2 -0.12 -0.46 -0.02 -0.04 1.46 0.83 2j63B1 LYS 208 HG3 -0.29 -0.00 0.11 -0.04 1.46 1.24 2j63B1 LYS 208 HD2 -0.08 -0.04 0.05 -0.04 1.69 1.57 2j63B1 LYS 208 HD3 -0.13 0.16 -0.02 -0.04 1.68 1.65 2j63B1 LYS 208 HE2 0.00 -0.04 0.04 -0.04 2.99 2.95 2j63B1 LYS 208 HE3 0.00 -0.10 0.07 -0.04 2.99 2.92 2j63B1 ASN 209 H -0.24 0.90 0.47 -0.55 8.53 9.12 2j63B1 ASN 209 HA -0.04 0.04 0.39 -0.75 4.76 4.40 2j63B1 ASN 209 HB2 -0.06 -0.04 0.15 -0.04 2.88 2.90 2j63B1 ASN 209 HB3 -0.02 0.01 0.01 -0.04 2.79 2.75 2j63B1 ASN 209 HD21 0.04 0.07 -0.29 -0.04 7.03 6.81 2j63B1 ASN 209 HD22 0.01 -0.06 -0.09 -0.04 7.74 7.55 2j63B1 SER 210 H -0.09 0.12 0.01 -0.55 8.46 7.95 2j63B1 SER 210 HA -0.03 0.09 0.43 -0.75 4.49 4.23 2j63B1 SER 210 HB2 -0.02 0.09 0.06 -0.04 3.95 4.03 2j63B1 SER 210 HB3 -0.03 0.00 0.13 -0.04 3.93 3.99 2j63B1 THR 211 H -0.05 0.09 -0.01 -0.55 8.28 7.76 2j63B1 THR 211 HA -0.03 0.11 0.29 -0.75 4.39 4.01 2j63B1 THR 211 HB -0.01 -0.03 0.13 -0.04 4.32 4.36 2j63B1 THR 211 HG23 0.03 0.03 -0.06 -0.04 1.22 1.18 2j63B1 THR 212 H -0.05 0.29 -0.17 -0.55 8.28 7.80 2j63B1 THR 212 HA -0.09 0.17 0.43 -0.75 4.39 4.14 2j63B1 THR 212 HB 0.02 0.04 0.16 -0.04 4.32 4.50 2j63B1 THR 212 HG23 0.04 0.01 -0.12 -0.04 1.22 1.11 2j63B1 VAL 213 H -0.02 0.47 0.07 -0.55 8.24 8.22 2j63B1 VAL 213 HA 0.02 0.05 0.40 -0.75 4.13 3.85 2j63B1 VAL 213 HB -0.01 0.07 0.22 -0.04 2.12 2.37 2j63B1 VAL 213 HG13 0.02 0.01 0.02 -0.04 0.97 0.98 2j63B1 VAL 213 HG23 0.02 0.01 -0.13 -0.04 0.95 0.81 2j63B1 LYS 214 H -0.04 0.30 -0.18 -0.55 8.42 7.94 2j63B1 LYS 214 HA -0.01 0.09 0.33 -0.75 4.32 3.98 2j63B1 LYS 214 HB2 -0.03 0.29 0.32 -0.04 1.87 2.40 2j63B1 LYS 214 HB3 -0.02 -0.04 -0.01 -0.04 1.79 1.68 2j63B1 LYS 214 HG2 0.01 -0.02 -0.05 -0.04 1.46 1.35 2j63B1 LYS 214 HG3 -0.01 0.04 0.01 -0.04 1.46 1.45 2j63B1 LYS 214 HD2 -0.00 0.02 0.00 -0.04 1.69 1.68 2j63B1 LYS 214 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.61 2j63B1 LYS 214 HE2 -0.01 -0.02 -0.08 -0.04 2.99 2.84 2j63B1 LYS 214 HE3 -0.00 -0.03 -0.02 -0.04 2.99 2.89 2j63B1 GLY 215 H -0.09 0.36 0.01 -0.55 8.43 8.16 2j63B1 GLY 215 HA2 -0.15 -0.01 0.46 -0.51 4.01 3.80 2j63B1 GLY 215 HA3 -0.10 0.07 0.40 -0.51 4.01 3.87 2j63B1 LEU 216 H -0.15 0.15 -0.24 -0.55 8.37 7.58 2j63B1 LEU 216 HA -0.15 0.29 0.76 -0.75 4.35 4.49 2j63B1 LEU 216 HB2 -0.10 0.02 0.16 -0.04 1.64 1.68 2j63B1 LEU 216 HB3 -0.04 -0.18 0.13 -0.04 1.64 1.51 2j63B1 LEU 216 HG -0.19 0.09 -0.23 -0.04 1.64 1.27 2j63B1 LEU 216 HD13 -0.62 -0.05 -0.13 -0.04 0.93 0.09 2j63B1 LEU 216 HD23 -0.05 0.02 -0.21 -0.04 0.89 0.61 2j63B1 HIS 217 H -0.30 0.14 -0.49 -0.55 8.41 7.21 2j63B1 HIS 217 HA 0.04 0.12 0.39 -0.75 4.63 4.43 2j63B1 HIS 217 HB2 0.07 0.02 0.06 -0.04 3.26 3.38 2j63B1 HIS 217 HB3 0.05 -0.14 0.15 -0.04 3.20 3.22 2j63B1 HIS 217 HD2 0.03 -0.08 0.10 -0.04 6.97 6.97 2j63B1 HIS 217 HE1 0.03 0.45 0.07 -0.04 7.75 8.25 2j63B1 ALA 218 H 0.05 0.18 -0.06 -0.55 8.40 8.02 2j63B1 ALA 218 HA 0.12 0.38 0.38 -0.75 4.34 4.47 2j63B1 ALA 218 HB3 0.06 -0.07 -0.12 -0.04 1.41 1.24 2j63B1 ARG 219 H 0.16 0.41 0.46 -0.55 8.46 8.94 2j63B1 ARG 219 HA 0.07 0.24 0.82 -0.75 4.34 4.71 2j63B1 ARG 219 HB2 0.03 -0.05 0.19 -0.04 1.90 2.03 2j63B1 ARG 219 HB3 0.06 0.07 0.35 -0.04 1.80 2.23 2j63B1 ARG 219 HG2 0.14 0.18 0.23 -0.04 1.67 2.18 2j63B1 ARG 219 HG3 0.01 -0.11 0.00 -0.04 1.67 1.53 2j63B1 ARG 219 HD2 0.05 0.09 0.08 -0.04 3.22 3.40 2j63B1 ARG 219 HD3 0.01 -0.03 0.06 -0.04 3.22 3.22 2j63B1 CYS 220 H 0.05 0.71 0.37 -0.55 8.50 9.09 2j63B1 CYS 220 HA 0.15 0.25 1.24 -0.75 4.58 5.47 2j63B1 CYS 220 HB2 0.03 -0.03 0.10 -0.04 2.97 3.03 2j63B1 CYS 220 HB3 0.03 0.03 0.09 -0.04 2.97 3.08 2j63B1 THR 221 H 0.14 0.48 0.33 -0.55 8.28 8.69 2j63B1 THR 221 HA -0.02 0.10 0.66 -0.75 4.39 4.38 2j63B1 THR 221 HB -0.03 0.01 0.06 -0.04 4.32 4.31 2j63B1 THR 221 HG23 -0.06 -0.01 -0.42 -0.04 1.22 0.69 2j63B1 ARG 222 H -0.13 0.48 0.26 -0.55 8.46 8.51 2j63B1 ARG 222 HA -0.33 0.21 0.99 -0.75 4.34 4.45 2j63B1 ARG 222 HB2 -0.32 -0.01 -0.29 -0.04 1.90 1.25 2j63B1 ARG 222 HB3 -1.22 -0.09 0.02 -0.04 1.80 0.46 2j63B1 ARG 222 HG2 -0.30 -0.02 -0.06 -0.04 1.67 1.25 2j63B1 ARG 222 HG3 -0.15 -0.06 -0.29 -0.04 1.67 1.13 2j63B1 ARG 222 HD2 -0.06 0.21 -0.02 -0.04 3.22 3.32 2j63B1 ARG 222 HD3 0.10 -0.05 0.01 -0.04 3.22 3.23 2j63B1 GLY 223 H -0.45 0.67 0.34 -0.55 8.43 8.45 2j63B1 GLY 223 HA2 -0.53 -0.11 0.44 -0.51 4.01 3.30 2j63B1 GLY 223 HA3 -0.30 -0.05 0.60 -0.51 4.01 3.75 2j63B1 PHE 224 H -0.22 0.06 0.08 -0.55 8.34 7.71 2j63B1 PHE 224 HA -1.50 0.22 0.61 -0.75 4.62 3.19 2j63B1 PHE 224 HB2 -0.27 -0.02 0.16 -0.04 3.15 2.98 2j63B1 PHE 224 HB3 -0.39 0.06 0.13 -0.04 3.06 2.82 2j63B1 PHE 224 HD2 -0.30 0.02 -0.03 -0.04 7.28 6.93 2j63B1 PHE 224 HE2 -0.24 -0.03 -0.13 -0.04 7.38 6.94 2j63B1 PHE 224 HZ -0.56 -0.02 -0.10 -0.04 7.32 6.59 2j63B1 ALA 225 H -0.28 0.34 -0.53 -0.55 8.40 7.39 2j63B1 ALA 225 HA -0.01 0.14 0.92 -0.75 4.34 4.63 2j63B1 ALA 225 HB3 -0.07 0.03 -0.05 -0.04 1.41 1.28 2j63B1 LEU 226 H -0.01 0.08 0.10 -0.55 8.37 8.00 2j63B1 LEU 226 HA -0.21 0.16 0.75 -0.75 4.35 4.29 2j63B1 LEU 226 HB2 -0.07 -0.03 0.04 -0.04 1.64 1.53 2j63B1 LEU 226 HB3 -0.28 0.09 0.02 -0.04 1.64 1.43 2j63B1 LEU 226 HG 0.07 -0.09 -0.15 -0.04 1.64 1.43 2j63B1 LEU 226 HD13 0.06 0.01 -0.07 -0.04 0.93 0.90 2j63B1 LEU 226 HD23 -0.10 0.02 -0.12 -0.04 0.89 0.64 2j63B1 PRO 227 HA -0.26 0.07 0.16 -0.51 4.44 3.91 2j63B1 PRO 227 HB2 -0.31 0.06 -0.06 -0.04 2.28 1.92 2j63B1 PRO 227 HB3 -0.32 0.02 0.04 -0.04 2.02 1.72 2j63B1 PRO 227 HG2 -1.25 0.09 -0.03 -0.04 2.03 0.80 2j63B1 PRO 227 HG3 -1.51 0.06 -0.11 -0.04 2.03 0.43 2j63B1 PRO 227 HD2 -1.02 0.13 0.07 -0.04 3.68 2.81 2j63B1 PRO 227 HD3 -1.65 0.14 0.09 -0.04 3.65 2.19 2j63B1 SER 228 H -0.12 0.10 0.09 -0.55 8.46 7.98 2j63B1 SER 228 HA -0.06 0.10 0.07 -0.75 4.49 3.84 2j63B1 SER 228 HB2 -0.05 -0.01 0.04 -0.04 3.95 3.90 2j63B1 SER 228 HB3 -0.05 0.01 0.17 -0.04 3.93 4.02 2j63B1 GLU 229 H -0.03 0.08 -0.01 -0.55 8.60 8.10 2j63B1 GLU 229 HA -0.01 0.20 0.46 -0.75 4.29 4.19 2j63B1 GLU 229 HB2 -0.00 0.02 0.06 -0.04 2.09 2.13 2j63B1 GLU 229 HB3 0.00 0.05 0.04 -0.04 1.99 2.04 2j63B1 GLU 229 HG2 -0.00 0.02 -0.02 -0.04 2.34 2.29 2j63B1 GLU 229 HG3 -0.01 -0.00 -0.15 -0.04 2.34 2.13 2j63B1 LEU 241 HA -0.01 -0.13 0.29 -0.75 4.35 3.76 2j63B1 LEU 241 HB2 0.01 -0.03 0.22 -0.04 1.64 1.79 2j63B1 LEU 241 HB3 0.00 -0.05 0.11 -0.04 1.64 1.66 2j63B1 LEU 241 HG 0.02 0.04 0.15 -0.04 1.64 1.82 2j63B1 LEU 241 HD13 0.04 0.01 0.06 -0.04 0.93 1.00 2j63B1 LEU 241 HD23 0.01 -0.02 0.05 -0.04 0.89 0.89 2j63B1 VAL 242 H -0.01 0.10 0.18 -0.55 8.24 7.96 2j63B1 VAL 242 HA 0.00 0.34 0.99 -0.75 4.13 4.70 2j63B1 VAL 242 HB -0.00 0.04 -0.12 -0.04 2.12 2.00 2j63B1 VAL 242 HG13 -0.01 -0.02 -0.03 -0.04 0.97 0.87 2j63B1 VAL 242 HG23 -0.02 0.01 -0.16 -0.04 0.95 0.75 2j63B1 GLU 243 H -0.03 0.23 0.09 -0.55 8.60 8.35 2j63B1 GLU 243 HA -0.03 0.05 0.93 -0.75 4.29 4.49 2j63B1 GLU 243 HB2 -0.04 0.12 -0.17 -0.04 2.09 1.96 2j63B1 GLU 243 HB3 -0.06 -0.01 0.03 -0.04 1.99 1.91 2j63B1 GLU 243 HG2 -0.05 -0.06 -0.03 -0.04 2.34 2.17 2j63B1 GLU 243 HG3 -0.04 0.02 0.03 -0.04 2.34 2.32 2j63B1 GLY 244 H -0.03 0.10 0.12 -0.55 8.43 8.07 2j63B1 GLY 244 HA2 -0.03 -0.03 0.40 -0.51 4.01 3.84 2j63B1 GLY 244 HA3 -0.05 0.11 0.41 -0.51 4.01 3.97 2j63B1 ALA 245 H -0.02 0.08 0.15 -0.55 8.40 8.07 2j63B1 ALA 245 HA 0.02 0.17 0.64 -0.75 4.34 4.42 2j63B1 ALA 245 HB3 0.02 -0.00 0.07 -0.04 1.41 1.46 2j63B1 GLY 246 H -0.04 -0.03 -0.07 -0.55 8.43 7.74 2j63B1 GLY 246 HA2 -0.12 0.09 0.06 -0.51 4.01 3.52 2j63B1 GLY 246 HA3 -0.22 0.07 -0.05 -0.51 4.01 3.30 2j63B1 ASP 247 H -0.10 0.03 0.18 -0.55 8.40 7.95 2j63B1 ASP 247 HA 0.05 0.09 0.52 -0.75 4.63 4.54 2j63B1 ASP 247 HB2 0.09 -0.01 0.11 -0.04 2.71 2.86 2j63B1 ASP 247 HB3 -0.08 0.07 0.18 -0.04 2.70 2.82 2j63B1 GLU 248 H 0.02 0.17 0.21 -0.55 8.60 8.45 2j63B1 GLU 248 HA 0.04 0.23 0.39 -0.75 4.29 4.20 2j63B1 GLU 248 HB2 0.06 -0.02 0.13 -0.04 2.09 2.21 2j63B1 GLU 248 HB3 0.02 0.10 0.15 -0.04 1.99 2.22 2j63B1 GLU 248 HG2 -0.07 -0.00 0.10 -0.04 2.34 2.33 2j63B1 GLU 248 HG3 -0.28 -0.03 -0.12 -0.04 2.34 1.86 2j63B1 GLU 249 H -0.06 0.06 -0.29 -0.55 8.60 7.76 2j63B1 GLU 249 HA 0.01 0.11 0.70 -0.75 4.29 4.35 2j63B1 GLU 249 HB2 -0.04 -0.02 0.01 -0.04 2.09 2.01 2j63B1 GLU 249 HB3 -0.04 0.04 0.11 -0.04 1.99 2.07 2j63B1 GLU 249 HG2 -1.43 0.01 -0.10 -0.04 2.34 0.78 2j63B1 GLU 249 HG3 -0.37 -0.02 -0.01 -0.04 2.34 1.90 2j63B1 GLY 250 H -0.09 0.43 -0.33 -0.55 8.43 7.89 2j63B1 GLY 250 HA2 -1.16 0.19 0.17 -0.51 4.01 2.70 2j63B1 GLY 250 HA3 -0.33 0.02 0.14 -0.51 4.01 3.33 2j63B1 ARG 251 H 0.10 -0.03 -0.15 -0.55 8.46 7.83 2j63B1 ARG 251 HA 0.13 0.18 0.57 -0.75 4.34 4.47 2j63B1 ARG 251 HB2 0.27 -0.04 -0.05 -0.04 1.90 2.04 2j63B1 ARG 251 HB3 0.06 0.38 0.12 -0.04 1.80 2.32 2j63B1 ARG 251 HG2 0.06 0.13 -0.21 -0.04 1.67 1.61 2j63B1 ARG 251 HG3 0.12 -0.19 -0.12 -0.04 1.67 1.44 2j63B1 ARG 251 HD2 -0.01 -0.09 -0.02 -0.04 3.22 3.06 2j63B1 ARG 251 HD3 -0.32 0.02 0.03 -0.04 3.22 2.91 2j63B1 VAL 252 H 0.15 0.03 -0.12 -0.55 8.24 7.75 2j63B1 VAL 252 HA 0.04 0.39 0.99 -0.75 4.13 4.80 2j63B1 VAL 252 HB -0.52 -0.23 0.08 -0.04 2.12 1.41 2j63B1 VAL 252 HG13 -0.32 0.05 -0.26 -0.04 0.97 0.40 2j63B1 VAL 252 HG23 -0.16 -0.02 -0.31 -0.04 0.95 0.42 2j63B1 LEU 253 H 0.04 0.80 0.29 -0.55 8.37 8.95 2j63B1 LEU 253 HA -0.10 0.20 1.02 -0.75 4.35 4.72 2j63B1 LEU 253 HB2 0.07 -0.10 -0.16 -0.04 1.64 1.41 2j63B1 LEU 253 HB3 0.04 -0.05 0.07 -0.04 1.64 1.67 2j63B1 LEU 253 HG -0.01 0.07 -0.09 -0.04 1.64 1.57 2j63B1 LEU 253 HD13 0.08 -0.02 -0.35 -0.04 0.93 0.60 2j63B1 LEU 253 HD23 0.02 0.03 -0.21 -0.04 0.89 0.70 2j63B1 THR 254 H -0.04 0.55 0.27 -0.55 8.28 8.51 2j63B1 THR 254 HA -0.11 0.23 1.09 -0.75 4.39 4.84 2j63B1 THR 254 HB -0.09 -0.00 -0.02 -0.04 4.32 4.17 2j63B1 THR 254 HG23 -0.78 0.01 -0.28 -0.04 1.22 0.12 2j63B1 THR 255 H -0.23 0.64 0.34 -0.55 8.28 8.49 2j63B1 THR 255 HA -0.00 0.22 0.93 -0.75 4.39 4.78 2j63B1 THR 255 HB -0.03 -0.05 0.16 -0.04 4.32 4.36 2j63B1 THR 255 HG23 0.06 0.02 -0.19 -0.04 1.22 1.06 2j63B1 PHE 256 H 0.21 0.95 0.42 -0.55 8.34 9.37 2j63B1 PHE 256 HA 0.01 0.13 1.00 -0.75 4.62 4.99 2j63B1 PHE 256 HB2 -0.08 0.00 0.19 -0.04 3.15 3.23 2j63B1 PHE 256 HB3 -0.11 0.05 0.02 -0.04 3.06 2.98 2j63B1 PHE 256 HD2 -1.30 0.12 -0.11 -0.04 7.28 5.95 2j63B1 PHE 256 HE2 -0.54 -0.03 -0.12 -0.04 7.38 6.65 2j63B1 PHE 256 HZ -0.20 0.09 -0.06 -0.04 7.32 7.11 2j63B1 LEU 257 H 0.33 0.71 0.43 -0.55 8.37 9.29 2j63B1 LEU 257 HA 0.16 0.35 0.93 -0.75 4.35 5.04 2j63B1 LEU 257 HB2 0.12 -0.06 0.13 -0.04 1.64 1.78 2j63B1 LEU 257 HB3 0.04 0.02 -0.01 -0.04 1.64 1.65 2j63B1 LEU 257 HG 0.06 -0.01 -0.30 -0.04 1.64 1.35 2j63B1 LEU 257 HD13 0.05 -0.04 -0.12 -0.04 0.93 0.78 2j63B1 LEU 257 HD23 0.04 0.02 -0.19 -0.04 0.89 0.72 2j63B1 SER 258 H 0.16 0.83 0.24 -0.55 8.46 9.15 2j63B1 SER 258 HA 0.11 0.34 0.60 -0.75 4.49 4.79 2j63B1 SER 258 HB2 0.21 -0.05 -0.32 -0.04 3.95 3.75 2j63B1 SER 258 HB3 0.20 -0.08 -0.28 -0.04 3.93 3.73 2j63B1 PRO 259 HA 0.03 0.32 0.75 -0.51 4.44 5.03 2j63B1 PRO 259 HB2 0.07 -0.05 0.03 -0.04 2.28 2.29 2j63B1 PRO 259 HB3 0.06 0.01 0.14 -0.04 2.02 2.19 2j63B1 PRO 259 HG2 0.05 -0.06 0.14 -0.04 2.03 2.11 2j63B1 PRO 259 HG3 0.05 0.04 0.08 -0.04 2.03 2.17 2j63B1 PRO 259 HD2 0.06 0.06 0.30 -0.04 3.68 4.05 2j63B1 PRO 259 HD3 0.06 0.19 0.20 -0.04 3.65 4.07 2j63B1 ASP 260 H 0.12 0.15 -0.14 -0.55 8.40 7.98 2j63B1 ASP 260 HA 0.08 0.18 -0.01 -0.75 4.63 4.13 2j63B1 ASP 260 HB2 0.09 0.03 0.05 -0.04 2.71 2.84 2j63B1 ASP 260 HB3 0.04 -0.04 0.04 -0.04 2.70 2.69 2j63B1 PRO 261 HA 0.05 0.07 0.50 -0.51 4.44 4.56 2j63B1 PRO 261 HB2 -0.06 -0.06 -0.03 -0.04 2.28 2.09 2j63B1 PRO 261 HB3 0.04 -0.00 0.04 -0.04 2.02 2.06 2j63B1 PRO 261 HG2 -0.17 0.01 0.04 -0.04 2.03 1.87 2j63B1 PRO 261 HG3 0.09 0.16 0.00 -0.04 2.03 2.24 2j63B1 PRO 261 HD2 -0.52 0.05 0.11 -0.04 3.68 3.28 2j63B1 PRO 261 HD3 -0.07 0.31 -0.14 -0.04 3.65 3.71 2j63B1 ASP 262 H 0.02 0.14 0.03 -0.55 8.40 8.05 2j63B1 ASP 262 HA -0.01 0.06 0.17 -0.75 4.63 4.10 2j63B1 ASP 262 HB2 -0.00 -0.03 0.05 -0.04 2.71 2.69 2j63B1 ASP 262 HB3 0.01 -0.05 -0.11 -0.04 2.70 2.51 2j63B1 SER 267 HA 0.07 -0.09 0.17 -0.75 4.49 3.90 2j63B1 SER 267 HB2 0.03 0.14 0.10 -0.04 3.95 4.19 2j63B1 SER 267 HB3 0.05 -0.18 0.15 -0.04 3.93 3.91 2j63B1 SER 268 H 0.02 0.03 0.12 -0.55 8.46 8.08 2j63B1 SER 268 HA -0.45 0.10 0.67 -0.75 4.49 4.06 2j63B1 SER 268 HB2 -0.22 -0.06 0.13 -0.04 3.95 3.75 2j63B1 SER 268 HB3 -0.04 -0.11 0.24 -0.04 3.93 3.99 2j63B1 ARG 269 H 0.18 0.20 0.32 -0.55 8.46 8.62 2j63B1 ARG 269 HA 0.03 0.35 1.13 -0.75 4.34 5.10 2j63B1 ARG 269 HB2 -0.30 0.07 0.31 -0.04 1.90 1.93 2j63B1 ARG 269 HB3 -0.83 -0.09 0.02 -0.04 1.80 0.86 2j63B1 ARG 269 HG2 -0.23 -0.00 -0.09 -0.04 1.67 1.32 2j63B1 ARG 269 HG3 -0.16 0.10 -0.17 -0.04 1.67 1.39 2j63B1 ARG 269 HD2 -0.56 0.05 0.01 -0.04 3.22 2.68 2j63B1 ARG 269 HD3 -1.76 -0.06 -0.07 -0.04 3.22 1.29 2j63B1 ILE 270 H 0.23 0.78 0.38 -0.55 8.25 9.09 2j63B1 ILE 270 HA 0.18 0.22 0.98 -0.75 4.18 4.80 2j63B1 ILE 270 HB 0.13 -0.05 0.06 -0.04 1.89 1.98 2j63B1 ILE 270 HG12 0.09 0.11 -0.27 -0.04 1.49 1.38 2j63B1 ILE 270 HG13 0.15 -0.05 -0.17 -0.04 1.21 1.11 2j63B1 ILE 270 HG23 0.08 -0.04 -0.26 -0.04 0.93 0.67 2j63B1 ILE 270 HD13 0.01 0.07 -0.36 -0.04 0.88 0.56 2j63B1 ALA 271 H 0.28 0.56 0.35 -0.55 8.40 9.05 2j63B1 ALA 271 HA -0.15 0.27 1.04 -0.75 4.34 4.75 2j63B1 ALA 271 HB3 -0.07 -0.02 0.04 -0.04 1.41 1.32 2j63B1 LEU 272 H -0.19 0.72 0.26 -0.55 8.37 8.62 2j63B1 LEU 272 HA 0.00 0.22 1.01 -0.75 4.35 4.83 2j63B1 LEU 272 HB2 -0.16 0.02 -0.05 -0.04 1.64 1.41 2j63B1 LEU 272 HB3 -0.08 0.05 0.19 -0.04 1.64 1.77 2j63B1 LEU 272 HG -0.00 -0.06 -0.19 -0.04 1.64 1.35 2j63B1 LEU 272 HD13 0.02 0.00 -0.10 -0.04 0.93 0.81 2j63B1 LEU 272 HD23 -0.32 0.00 -0.10 -0.04 0.89 0.43 2j63B1 VAL 273 H 0.10 0.69 0.33 -0.55 8.24 8.81 2j63B1 VAL 273 HA -0.01 0.14 0.72 -0.75 4.13 4.22 2j63B1 VAL 273 HB 0.22 -0.11 0.14 -0.04 2.12 2.33 2j63B1 VAL 273 HG13 0.10 -0.00 -0.28 -0.04 0.97 0.76 2j63B1 VAL 273 HG23 -0.16 0.03 -0.18 -0.04 0.95 0.60 2j63B1 ASN 274 H 0.05 0.87 0.40 -0.55 8.53 9.31 2j63B1 ASN 274 HA 0.09 0.13 0.74 -0.75 4.76 4.96 2j63B1 ASN 274 HB2 0.08 -0.00 0.02 -0.04 2.88 2.94 2j63B1 ASN 274 HB3 0.06 0.14 0.22 -0.04 2.79 3.16 2j63B1 ASN 274 HD21 0.05 0.22 0.11 -0.04 7.03 7.37 2j63B1 ASN 274 HD22 0.07 0.03 -0.19 -0.04 7.74 7.61 2j63B1 THR 275 H 0.10 0.50 0.35 -0.55 8.28 8.69 2j63B1 THR 275 HA 0.18 0.39 1.07 -0.75 4.39 5.28 2j63B1 THR 275 HB 0.38 0.16 -0.05 -0.04 4.32 4.76 2j63B1 THR 275 HG23 0.44 -0.05 -0.41 -0.04 1.22 1.17 2j63B1 TYR 276 H 0.17 0.61 0.24 -0.55 8.29 8.76 2j63B1 TYR 276 HA -0.11 0.13 0.95 -0.75 4.56 4.78 2j63B1 TYR 276 HB2 -0.11 -0.06 0.12 -0.04 3.06 2.98 2j63B1 TYR 276 HB3 -0.08 0.03 0.24 -0.04 2.98 3.13 2j63B1 TYR 276 HD2 -0.19 0.00 0.09 -0.04 7.15 7.01 2j63B1 TYR 276 HE2 -0.32 -0.05 0.03 -0.04 6.85 6.48 2j63B1 VAL 277 H -0.17 0.54 -0.00 -0.55 8.24 8.06 2j63B1 VAL 277 HA -0.63 -0.01 0.36 -0.75 4.13 3.09 2j63B1 VAL 277 HB -0.23 0.04 -0.03 -0.04 2.12 1.86 2j63B1 VAL 277 HG13 -0.30 0.01 -0.22 -0.04 0.97 0.43 2j63B1 VAL 277 HG23 0.28 -0.00 -0.11 -0.04 0.95 1.08 2j63B1 ALA 278 H -1.14 0.07 0.10 -0.55 8.40 6.89 2j63B1 ALA 278 HA -0.48 0.02 0.40 -0.75 4.34 3.53 2j63B1 ALA 278 HB3 -0.21 0.00 0.07 -0.04 1.41 1.23 2j63B1 ASN 279 H -0.31 0.11 0.18 -0.55 8.53 7.96 2j63B1 ASN 279 HA -0.19 0.12 0.51 -0.75 4.76 4.45 2j63B1 ASN 279 HB2 -0.16 0.08 0.15 -0.04 2.88 2.91 2j63B1 ASN 279 HB3 -0.08 -0.07 -0.00 -0.04 2.79 2.60 2j63B1 ASN 279 HD21 -0.26 0.06 -0.03 -0.04 7.03 6.75 2j63B1 ASN 279 HD22 -0.19 0.05 0.01 -0.04 7.74 7.56 2j63B1 SER 280 H -0.10 0.15 0.13 -0.55 8.46 8.11 2j63B1 SER 280 HA -0.01 0.17 0.30 -0.75 4.49 4.20 2j63B1 SER 280 HB2 -0.04 -0.04 0.14 -0.04 3.95 3.96 2j63B1 SER 280 HB3 -0.01 -0.01 0.00 -0.04 3.93 3.86 2j63B1 GLY 281 H -0.06 0.05 -0.16 -0.55 8.43 7.71 2j63B1 GLY 281 HA2 -0.02 0.11 0.23 -0.51 4.01 3.81 2j63B1 GLY 281 HA3 -0.00 0.05 0.26 -0.51 4.01 3.81 2j63B1 MET 282 H -0.01 0.18 0.16 -0.55 8.47 8.26 2j63B1 MET 282 HA -0.01 0.09 0.40 -0.75 4.52 4.25 2j63B1 MET 282 HB2 -0.00 -0.04 0.19 -0.04 2.15 2.26 2j63B1 MET 282 HB3 0.00 0.11 0.02 -0.04 2.03 2.11 2j63B1 MET 282 HG2 -0.00 -0.04 0.10 -0.04 2.63 2.65 2j63B1 MET 282 HG3 0.00 0.07 0.06 -0.04 2.56 2.65 2j63B1 MET 282 HE3 -0.04 -0.04 -0.03 -0.04 2.10 1.96 2j63B1 GLY 283 H 0.00 -0.01 -0.06 -0.55 8.43 7.82 2j63B1 GLY 283 HA2 0.01 0.25 0.64 -0.51 4.01 4.40 2j63B1 GLY 283 HA3 0.01 0.02 0.33 -0.51 4.01 3.86 2j63B1 LEU 284 H 0.00 0.45 -0.55 -0.55 8.37 7.73 2j63B1 LEU 284 HA 0.00 -0.02 0.11 -0.75 4.35 3.68 2j63B1 LEU 284 HB2 0.01 0.29 0.44 -0.04 1.64 2.33 2j63B1 LEU 284 HB3 0.01 -0.13 0.22 -0.04 1.64 1.70 2j63B1 LEU 284 HG 0.01 0.19 -0.16 -0.04 1.64 1.64 2j63B1 LEU 284 HD13 0.01 0.00 0.00 -0.04 0.93 0.91 2j63B1 LEU 284 HD23 0.01 -0.02 -0.23 -0.04 0.89 0.61 2j63B1 THR 285 H 0.00 -0.10 -0.13 -0.55 8.28 7.51 2j63B1 THR 285 HA 0.01 0.18 0.18 -0.75 4.39 4.01 2j63B1 THR 285 HB 0.01 -0.08 0.10 -0.04 4.32 4.30 2j63B1 THR 285 HG23 0.00 0.03 -0.07 -0.04 1.22 1.14 2j63B1 ARG 286 H 0.02 0.44 0.03 -0.55 8.46 8.40 2j63B1 ARG 286 HA 0.06 0.15 0.71 -0.75 4.34 4.51 2j63B1 ARG 286 HB2 0.04 0.05 -0.08 -0.04 1.90 1.87 2j63B1 ARG 286 HB3 0.11 -0.06 0.14 -0.04 1.80 1.95 2j63B1 ARG 286 HG2 0.02 0.01 -0.01 -0.04 1.67 1.65 2j63B1 ARG 286 HG3 0.02 0.05 -0.06 -0.04 1.67 1.63 2j63B1 ARG 286 HD2 0.01 0.04 -0.05 -0.04 3.22 3.17 2j63B1 ARG 286 HD3 0.01 -0.13 -0.08 -0.04 3.22 2.99 2j63B1 LEU 287 H 0.03 0.41 -0.69 -0.55 8.37 7.57 2j63B1 LEU 287 HA 0.02 -0.07 0.33 -0.75 4.35 3.88 2j63B1 LEU 287 HB2 0.01 0.03 0.10 -0.04 1.64 1.73 2j63B1 LEU 287 HB3 0.02 0.17 0.07 -0.04 1.64 1.85 2j63B1 LEU 287 HG 0.00 0.01 0.03 -0.04 1.64 1.65 2j63B1 LEU 287 HD13 0.01 -0.00 -0.16 -0.04 0.93 0.73 2j63B1 LEU 287 HD23 0.00 -0.07 0.06 -0.04 0.89 0.85 2j63B1 PRO 288 HA 0.02 0.08 0.43 -0.51 4.44 4.46 2j63B1 PRO 288 HB2 0.07 0.01 -0.01 -0.04 2.28 2.30 2j63B1 PRO 288 HB3 0.03 0.06 0.06 -0.04 2.02 2.14 2j63B1 PRO 288 HG2 0.03 0.11 0.07 -0.04 2.03 2.21 2j63B1 PRO 288 HG3 0.02 0.07 0.05 -0.04 2.03 2.13 2j63B1 PRO 288 HD2 0.05 0.18 -0.17 -0.04 3.68 3.70 2j63B1 PRO 288 HD3 0.03 0.21 0.06 -0.04 3.65 3.91 2j63B1 TYR 289 H 0.17 0.26 -0.28 -0.55 8.29 7.88 2j63B1 TYR 289 HA 0.02 0.07 0.58 -0.75 4.56 4.48 2j63B1 TYR 289 HB2 0.02 0.02 0.09 -0.04 3.06 3.15 2j63B1 TYR 289 HB3 0.02 0.15 0.15 -0.04 2.98 3.26 2j63B1 TYR 289 HD2 0.02 0.07 -0.06 -0.04 7.15 7.14 2j63B1 TYR 289 HE2 0.04 0.02 -0.03 -0.04 6.85 6.84 2j63B1 ARG 290 H 0.08 0.56 -0.03 -0.55 8.46 8.52 2j63B1 ARG 290 HA -0.05 -0.04 0.47 -0.75 4.34 3.96 2j63B1 ARG 290 HB2 -0.02 0.12 -0.00 -0.04 1.90 1.95 2j63B1 ARG 290 HB3 0.01 0.03 0.13 -0.04 1.80 1.93 2j63B1 ARG 290 HG2 -0.01 -0.07 -0.05 -0.04 1.67 1.50 2j63B1 ARG 290 HG3 0.01 0.03 -0.48 -0.04 1.67 1.19 2j63B1 ARG 290 HD2 0.04 0.00 -0.05 -0.04 3.22 3.17 2j63B1 ARG 290 HD3 -0.01 -0.13 0.05 -0.04 3.22 3.09 2j63B1 VAL 291 H -0.01 0.51 -0.18 -0.55 8.24 8.00 2j63B1 VAL 291 HA -0.00 0.08 0.40 -0.75 4.13 3.86 2j63B1 VAL 291 HB -0.00 0.08 0.07 -0.04 2.12 2.23 2j63B1 VAL 291 HG13 -0.01 -0.00 -0.11 -0.04 0.97 0.81 2j63B1 VAL 291 HG23 0.01 -0.01 -0.12 -0.04 0.95 0.78 2j63B1 GLN 292 H -0.07 0.30 -0.14 -0.55 8.47 8.02 2j63B1 GLN 292 HA -0.06 0.20 0.78 -0.75 4.36 4.54 2j63B1 GLN 292 HB2 -0.02 0.30 0.18 -0.04 2.15 2.57 2j63B1 GLN 292 HB3 -0.03 -0.04 -0.03 -0.04 2.02 1.88 2j63B1 GLN 292 HG2 -0.02 -0.01 0.03 -0.04 2.40 2.36 2j63B1 GLN 292 HG3 -0.02 -0.04 -0.13 -0.04 2.39 2.16 2j63B1 GLN 292 HE21 0.00 0.01 0.01 -0.04 6.97 6.95 2j63B1 GLN 292 HE22 -0.01 -0.03 -0.02 -0.04 7.69 7.60 2j63B1 SER 293 H -0.25 0.29 0.04 -0.55 8.46 8.00 2j63B1 SER 293 HA -0.16 0.24 1.01 -0.75 4.49 4.82 2j63B1 SER 293 HB2 -0.76 0.03 0.20 -0.04 3.95 3.38 2j63B1 SER 293 HB3 -0.12 -0.04 0.02 -0.04 3.93 3.75 2j63B1 PHE 294 H -0.51 0.58 0.22 -0.55 8.34 8.07 2j63B1 PHE 294 HA -0.22 0.04 0.45 -0.75 4.62 4.14 2j63B1 PHE 294 HB2 -0.40 -0.04 0.09 -0.04 3.15 2.76 2j63B1 PHE 294 HB3 -0.21 0.09 0.24 -0.04 3.06 3.14 2j63B1 PHE 294 HD2 0.06 0.05 -0.12 -0.04 7.28 7.22 2j63B1 PHE 294 HE2 0.14 0.00 -0.10 -0.04 7.38 7.38 2j63B1 PHE 294 HZ 0.12 0.05 -0.18 -0.04 7.32 7.27 2j63B1 ASP 295 H 0.06 0.67 0.10 -0.55 8.40 8.69 2j63B1 ASP 295 HA 0.09 -0.03 0.26 -0.75 4.63 4.19 2j63B1 ASP 295 HB2 0.02 0.15 0.11 -0.04 2.71 2.96 2j63B1 ASP 295 HB3 0.05 -0.01 -0.10 -0.04 2.70 2.60 2j63B1 PRO 296 HA -0.13 0.05 0.54 -0.51 4.44 4.39 2j63B1 PRO 296 HB2 -0.16 0.10 -0.11 -0.04 2.28 2.07 2j63B1 PRO 296 HB3 -0.11 0.00 0.03 -0.04 2.02 1.90 2j63B1 PRO 296 HG2 -0.09 0.19 -0.11 -0.04 2.03 1.98 2j63B1 PRO 296 HG3 -0.07 0.03 -0.01 -0.04 2.03 1.94 2j63B1 PRO 296 HD2 -0.15 -0.05 -0.90 -0.04 3.68 2.54 2j63B1 PRO 296 HD3 -0.06 0.19 -0.21 -0.04 3.65 3.52 2j63B1 SER 297 H -0.34 0.43 -0.36 -0.55 8.46 7.65 2j63B1 SER 297 HA -0.44 0.03 0.51 -0.75 4.49 3.84 2j63B1 SER 297 HB2 -0.50 0.07 0.15 -0.04 3.95 3.63 2j63B1 SER 297 HB3 -0.72 0.12 0.20 -0.04 3.93 3.49 2j63B1 MET 298 H -0.44 0.54 -0.10 -0.55 8.47 7.93 2j63B1 MET 298 HA -0.08 -0.00 0.43 -0.75 4.52 4.11 2j63B1 MET 298 HB2 -0.45 -0.01 -0.01 -0.04 2.15 1.65 2j63B1 MET 298 HB3 -0.19 0.13 0.06 -0.04 2.03 1.99 2j63B1 MET 298 HG2 -0.03 -0.01 -0.12 -0.04 2.63 2.42 2j63B1 MET 298 HG3 -0.69 0.00 -0.14 -0.04 2.56 1.68 2j63B1 MET 298 HE3 -0.11 0.00 -0.09 -0.04 2.10 1.87 2j63B1 ARG 299 H -0.21 0.59 -0.13 -0.55 8.46 8.15 2j63B1 ARG 299 HA -0.23 0.03 0.39 -0.75 4.34 3.78 2j63B1 ARG 299 HB2 -0.13 0.09 0.15 -0.04 1.90 1.96 2j63B1 ARG 299 HB3 -0.11 0.00 -0.12 -0.04 1.80 1.53 2j63B1 ARG 299 HG2 -0.09 0.01 0.02 -0.04 1.67 1.57 2j63B1 ARG 299 HG3 -0.08 0.02 -0.01 -0.04 1.67 1.56 2j63B1 ARG 299 HD2 -0.07 0.01 -0.07 -0.04 3.22 3.05 2j63B1 ARG 299 HD3 -0.04 -0.00 -0.19 -0.04 3.22 2.95 2j63B1 GLU 300 H -0.17 0.42 -0.23 -0.55 8.60 8.07 2j63B1 GLU 300 HA -0.05 0.05 0.33 -0.75 4.29 3.88 2j63B1 GLU 300 HB2 -0.12 0.04 0.11 -0.04 2.09 2.08 2j63B1 GLU 300 HB3 -0.16 0.06 0.14 -0.04 1.99 2.00 2j63B1 GLU 300 HG2 -0.01 -0.02 0.04 -0.04 2.34 2.30 2j63B1 GLU 300 HG3 -0.06 -0.02 0.00 -0.04 2.34 2.22 2j63B1 TYR 301 H -0.03 0.42 -0.22 -0.55 8.29 7.91 2j63B1 TYR 301 HA -0.04 0.03 0.29 -0.75 4.56 4.09 2j63B1 TYR 301 HB2 0.17 0.02 0.08 -0.04 3.06 3.28 2j63B1 TYR 301 HB3 -0.02 0.07 0.08 -0.04 2.98 3.08 2j63B1 TYR 301 HD2 -0.03 -0.01 -0.14 -0.04 7.15 6.93 2j63B1 TYR 301 HE2 -0.07 0.01 -0.35 -0.04 6.85 6.40 2j63B1 LEU 302 H -0.28 0.61 -0.12 -0.55 8.37 8.02 2j63B1 LEU 302 HA -0.78 -0.01 0.41 -0.75 4.35 3.22 2j63B1 LEU 302 HB2 -0.45 0.13 0.05 -0.04 1.64 1.33 2j63B1 LEU 302 HB3 -1.01 -0.02 -0.06 -0.04 1.64 0.50 2j63B1 LEU 302 HG -0.73 0.18 0.01 -0.04 1.64 1.06 2j63B1 LEU 302 HD13 -1.15 -0.03 -0.17 -0.04 0.93 -0.46 2j63B1 LEU 302 HD23 -1.05 -0.03 -0.10 -0.04 0.89 -0.33 2j63B1 HIS 303 H -0.06 0.48 -0.37 -0.55 8.41 7.91 2j63B1 HIS 303 HA -0.01 0.07 0.47 -0.75 4.63 4.41 2j63B1 HIS 303 HB2 -0.06 0.07 0.09 -0.04 3.26 3.32 2j63B1 HIS 303 HB3 -0.05 0.12 0.18 -0.04 3.20 3.41 2j63B1 HIS 303 HD2 -0.01 -0.02 -0.08 -0.04 6.97 6.82 2j63B1 HIS 303 HE1 0.02 0.00 0.00 -0.04 7.75 7.73 2j63B1 ARG 304 H -0.01 0.56 -0.05 -0.55 8.46 8.41 2j63B1 ARG 304 HA -0.05 -0.01 0.36 -0.75 4.34 3.89 2j63B1 ARG 304 HB2 0.06 0.02 0.09 -0.04 1.90 2.03 2j63B1 ARG 304 HB3 0.04 0.14 0.12 -0.04 1.80 2.06 2j63B1 ARG 304 HG2 0.09 0.01 -0.17 -0.04 1.67 1.56 2j63B1 ARG 304 HG3 0.06 -0.04 0.01 -0.04 1.67 1.65 2j63B1 ARG 304 HD2 0.06 -0.02 -0.04 -0.04 3.22 3.18 2j63B1 ARG 304 HD3 0.06 -0.03 -0.02 -0.04 3.22 3.19 2j63B1 LEU 305 H -0.23 0.63 -0.19 -0.55 8.37 8.04 2j63B1 LEU 305 HA 0.10 0.04 0.45 -0.75 4.35 4.19 2j63B1 LEU 305 HB2 -0.35 0.10 0.08 -0.04 1.64 1.42 2j63B1 LEU 305 HB3 -0.02 -0.04 -0.09 -0.04 1.64 1.44 2j63B1 LEU 305 HG -1.06 0.15 -0.13 -0.04 1.64 0.57 2j63B1 LEU 305 HD13 -0.68 -0.03 -0.18 -0.04 0.93 0.00 2j63B1 LEU 305 HD23 -0.16 -0.00 -0.11 -0.04 0.89 0.57 2j63B1 ASP 306 H 0.01 0.55 -0.21 -0.55 8.40 8.21 2j63B1 ASP 306 HA 0.27 -0.03 0.42 -0.75 4.63 4.54 2j63B1 ASP 306 HB2 0.43 0.10 0.19 -0.04 2.71 3.39 2j63B1 ASP 306 HB3 0.06 0.10 0.13 -0.04 2.70 2.95 2j63B1 THR 307 H -0.08 0.56 -0.16 -0.55 8.28 8.04 2j63B1 THR 307 HA -0.04 -0.06 0.62 -0.75 4.39 4.16 2j63B1 THR 307 HB -0.20 -0.01 0.07 -0.04 4.32 4.14 2j63B1 THR 307 HG23 -0.10 0.09 0.08 -0.04 1.22 1.24 2j63B1 TRP 308 H 0.26 0.46 -0.24 -0.55 7.97 7.90 2j63B1 TRP 308 HA 0.00 0.01 0.48 -0.75 4.62 4.36 2j63B1 TRP 308 HB2 0.02 -0.04 0.07 -0.04 3.23 3.24 2j63B1 TRP 308 HB3 0.08 0.10 0.17 -0.04 3.23 3.54 2j63B1 TRP 308 HD1 -0.03 -0.03 -0.04 -0.04 7.22 7.09 2j63B1 TRP 308 HE1 -0.05 -0.01 -0.08 -0.04 10.20 10.03 2j63B1 TRP 308 HE3 0.17 0.12 -0.09 -0.04 7.59 7.75 2j63B1 TRP 308 HZ2 0.12 0.01 -0.11 -0.04 7.44 7.42 2j63B1 TRP 308 HZ3 0.17 -0.05 -0.45 -0.04 7.13 6.76 2j63B1 TRP 308 HH2 0.25 0.08 -0.10 -0.04 7.19 7.38 2j63B1 ALA 309 H 0.25 0.45 -0.18 -0.55 8.40 8.37 2j63B1 ALA 309 HA -0.79 0.09 0.43 -0.75 4.34 3.32 2j63B1 ALA 309 HB3 0.16 0.00 0.08 -0.04 1.41 1.61 2j63B1 THR 310 H -0.06 0.21 -0.43 -0.55 8.28 7.46 2j63B1 THR 310 HA -0.16 0.16 0.67 -0.75 4.39 4.30 2j63B1 THR 310 HB -0.03 0.09 0.22 -0.04 4.32 4.57 2j63B1 THR 310 HG23 -0.05 -0.01 -0.10 -0.04 1.22 1.02 2j63B1 GLU 311 H -0.06 0.18 0.16 -0.55 8.60 8.34 2j63B1 GLU 311 HA -0.06 0.02 0.08 -0.75 4.29 3.57 2j63B1 GLU 311 HB2 -0.03 -0.01 0.07 -0.04 2.09 2.08 2j63B1 GLU 311 HB3 -0.03 -0.05 0.11 -0.04 1.99 1.98 2j63B1 GLU 311 HG2 -0.02 -0.09 0.05 -0.04 2.34 2.24 2j63B1 GLU 311 HG3 -0.03 0.31 0.14 -0.04 2.34 2.72 2j63B1 ASN 312 H -0.10 0.22 -0.41 -0.55 8.53 7.69 2j63B1 ASN 312 HA -0.07 -0.02 0.58 -0.75 4.76 4.50 2j63B1 ASN 312 HB2 -0.26 0.31 0.03 -0.04 2.88 2.91 2j63B1 ASN 312 HB3 -0.18 -0.01 -0.07 -0.04 2.79 2.49 2j63B1 ASN 312 HD21 0.06 -0.10 -0.02 -0.04 7.03 6.93 2j63B1 ASN 312 HD22 -0.04 0.02 -0.01 -0.04 7.74 7.67 2j63B1 ALA 313 H -0.21 0.20 -0.27 -0.55 8.40 7.56 2j63B1 ALA 313 HA -0.13 0.04 0.12 -0.75 4.34 3.61 2j63B1 ALA 313 HB3 -0.22 0.05 0.12 -0.04 1.41 1.32 2j63B1 ALA 314 H -0.30 0.25 0.08 -0.55 8.40 7.88 2j63B1 ALA 314 HA -0.17 0.09 -0.03 -0.75 4.34 3.47 2j63B1 ALA 314 HB3 -0.33 -0.01 0.09 -0.04 1.41 1.12 2j63B1 SER 325 HA 0.07 -0.09 0.26 -0.75 4.49 3.98 2j63B1 SER 325 HB2 0.10 -0.04 0.22 -0.04 3.95 4.18 2j63B1 SER 325 HB3 0.07 -0.03 0.00 -0.04 3.93 3.93 2j63B1 SER 326 H 0.23 0.48 0.26 -0.55 8.46 8.88 2j63B1 SER 326 HA 0.20 0.13 0.62 -0.75 4.49 4.70 2j63B1 SER 326 HB2 0.19 0.05 -2.93 -0.04 3.95 1.22 2j63B1 SER 326 HB3 0.14 -0.11 0.50 -0.04 3.93 4.41 2j63B1 PRO 327 HA -0.57 0.11 0.40 -0.51 4.44 3.87 2j63B1 PRO 327 HB2 -0.35 0.02 0.20 -0.04 2.28 2.10 2j63B1 PRO 327 HB3 -0.74 0.05 0.08 -0.04 2.02 1.37 2j63B1 PRO 327 HG2 -0.33 0.01 0.06 -0.04 2.03 1.72 2j63B1 PRO 327 HG3 -0.12 0.00 0.06 -0.04 2.03 1.93 2j63B1 PRO 327 HD2 -0.11 0.11 -0.01 -0.04 3.68 3.63 2j63B1 PRO 327 HD3 0.06 0.12 0.11 -0.04 3.65 3.90 2j63B1 HIS 328 H -0.03 0.69 -0.06 -0.55 8.41 8.46 2j63B1 HIS 328 HA -0.04 0.43 0.90 -0.75 4.63 5.17 2j63B1 HIS 328 HB2 -0.03 -0.10 -0.01 -0.04 3.26 3.08 2j63B1 HIS 328 HB3 -0.07 0.13 -0.00 -0.04 3.20 3.22 2j63B1 HIS 328 HD2 -0.11 -0.17 0.34 -0.04 6.97 6.98 2j63B1 HIS 328 HE1 -0.01 -0.04 -0.13 -0.04 7.75 7.53 2j63B1 GLY 329 H 0.10 0.64 0.39 -0.55 8.43 9.01 2j63B1 GLY 329 HA2 0.09 0.01 0.28 -0.51 4.01 3.88 2j63B1 GLY 329 HA3 -0.02 0.07 0.87 -0.51 4.01 4.41 2j63B1 PHE 330 H -0.33 0.11 0.28 -0.55 8.34 7.84 2j63B1 PHE 330 HA 0.07 0.27 1.15 -0.75 4.62 5.36 2j63B1 PHE 330 HB2 -0.01 0.06 0.06 -0.04 3.15 3.22 2j63B1 PHE 330 HB3 0.03 -0.01 -0.09 -0.04 3.06 2.95 2j63B1 PHE 330 HD2 0.08 -0.01 -0.21 -0.04 7.28 7.09 2j63B1 PHE 330 HE2 0.12 0.05 -0.12 -0.04 7.38 7.38 2j63B1 PHE 330 HZ 0.05 0.02 -0.21 -0.04 7.32 7.13 2j63B1 ILE 331 H 0.23 0.82 0.36 -0.55 8.25 9.10 2j63B1 ILE 331 HA 0.25 0.20 0.88 -0.75 4.18 4.77 2j63B1 ILE 331 HB 0.02 -0.04 0.12 -0.04 1.89 1.94 2j63B1 ILE 331 HG12 0.10 0.02 -0.16 -0.04 1.49 1.42 2j63B1 ILE 331 HG13 0.07 -0.05 -0.53 -0.04 1.21 0.66 2j63B1 ILE 331 HG23 0.25 -0.02 -0.27 -0.04 0.93 0.85 2j63B1 ILE 331 HD13 -0.14 0.01 -0.19 -0.04 0.88 0.52 2j63B1 TRP 332 H 0.58 1.05 0.25 -0.55 7.97 9.30 2j63B1 TRP 332 HA 0.10 0.11 0.79 -0.75 4.62 4.86 2j63B1 TRP 332 HB2 0.20 0.01 -0.01 -0.04 3.23 3.39 2j63B1 TRP 332 HB3 0.26 -0.06 0.17 -0.04 3.23 3.56 2j63B1 TRP 332 HD1 0.05 0.17 -0.06 -0.04 7.22 7.35 2j63B1 TRP 332 HE1 0.09 -0.05 -0.21 -0.04 10.20 9.98 2j63B1 TRP 332 HE3 0.21 0.01 -0.16 -0.04 7.59 7.60 2j63B1 TRP 332 HZ2 0.14 -0.04 -0.15 -0.04 7.44 7.35 2j63B1 TRP 332 HZ3 0.21 0.01 -0.15 -0.04 7.13 7.15 2j63B1 TRP 332 HH2 0.24 -0.01 -0.11 -0.04 7.19 7.26 2j63B1 ALA 333 H 0.25 0.77 0.35 -0.55 8.40 9.23 2j63B1 ALA 333 HA -0.28 0.29 0.99 -0.75 4.34 4.59 2j63B1 ALA 333 HB3 -0.07 -0.01 -0.07 -0.04 1.41 1.23 2j63B1 GLY 334 H -0.37 0.50 0.36 -0.55 8.43 8.36 2j63B1 GLY 334 HA2 -0.12 -0.04 0.20 -0.51 4.01 3.54 2j63B1 GLY 334 HA3 -0.08 0.38 1.15 -0.51 4.01 4.94 2j63B1 ASP 335 H -0.06 0.36 0.27 -0.55 8.40 8.42 2j63B1 ASP 335 HA -0.12 0.15 0.78 -0.75 4.63 4.69 2j63B1 ASP 335 HB2 -0.20 -0.03 0.08 -0.04 2.71 2.53 2j63B1 ASP 335 HB3 0.07 -0.01 0.30 -0.04 2.70 3.02 2j63B1 LEU 336 H -0.15 0.55 0.29 -0.55 8.37 8.51 2j63B1 LEU 336 HA -0.26 0.05 0.47 -0.75 4.35 3.86 2j63B1 LEU 336 HB2 -0.90 0.07 -0.03 -0.04 1.64 0.75 2j63B1 LEU 336 HB3 -0.78 -0.01 -0.01 -0.04 1.64 0.79 2j63B1 LEU 336 HG -0.52 0.06 -0.17 -0.04 1.64 0.97 2j63B1 LEU 336 HD13 -1.59 0.01 -0.18 -0.04 0.93 -0.87 2j63B1 LEU 336 HD23 -0.61 -0.00 -0.49 -0.04 0.89 -0.25 2j63B1 ASN 337 H -0.16 0.14 -0.15 -0.55 8.53 7.81 2j63B1 ASN 337 HA -0.18 -0.04 0.24 -0.75 4.76 4.03 2j63B1 ASN 337 HB2 -0.27 0.08 -0.61 -0.04 2.88 2.04 2j63B1 ASN 337 HB3 -0.21 -0.09 0.05 -0.04 2.79 2.49 2j63B1 ASN 337 HD21 -0.25 -0.10 -0.04 -0.04 7.03 6.60 2j63B1 ASN 337 HD22 -0.43 0.37 -0.24 -0.04 7.74 7.40 2j63B1 VAL 338 H -0.10 0.27 -0.10 -0.55 8.24 7.75 2j63B1 VAL 338 HA 0.03 0.17 0.53 -0.75 4.13 4.10 2j63B1 VAL 338 HB -0.17 0.11 -0.13 -0.04 2.12 1.88 2j63B1 VAL 338 HG13 -0.89 -0.02 -0.24 -0.04 0.97 -0.22 2j63B1 VAL 338 HG23 0.00 0.01 -0.30 -0.04 0.95 0.62 2j63B1 ALA 339 H 0.32 0.69 0.12 -0.55 8.40 8.98 2j63B1 ALA 339 HA 0.25 0.27 0.90 -0.75 4.34 5.01 2j63B1 ALA 339 HB3 0.33 -0.03 -0.05 -0.04 1.41 1.62 2j63B1 GLU 340 H 0.26 0.14 0.01 -0.55 8.60 8.47 2j63B1 GLU 340 HA 0.15 0.21 0.50 -0.75 4.29 4.39 2j63B1 GLU 340 HB2 0.27 0.02 0.04 -0.04 2.09 2.37 2j63B1 GLU 340 HB3 0.39 -0.03 -0.06 -0.04 1.99 2.25 2j63B1 GLU 340 HG2 0.37 -0.02 -0.07 -0.04 2.34 2.58 2j63B1 GLU 340 HG3 0.34 -0.02 -0.03 -0.04 2.34 2.58 2j63B1 ARG 341 H 0.04 0.04 -0.00 -0.55 8.46 7.98 2j63B1 ARG 341 HA -0.13 0.18 0.80 -0.75 4.34 4.43 2j63B1 ARG 341 HB2 -0.43 -0.01 0.03 -0.04 1.90 1.45 2j63B1 ARG 341 HB3 -1.40 -0.08 0.02 -0.04 1.80 0.30 2j63B1 ARG 341 HG2 -0.09 -0.09 -0.01 -0.04 1.67 1.44 2j63B1 ARG 341 HG3 -0.39 0.17 0.01 -0.04 1.67 1.43 2j63B1 ARG 341 HD2 -0.30 -0.06 0.09 -0.04 3.22 2.91 2j63B1 ARG 341 HD3 -0.06 -0.02 -0.01 -0.04 3.22 3.09 2j63B1 ASP 342 H -0.07 0.20 0.14 -0.55 8.40 8.13 2j63B1 ASP 342 HA 0.48 0.13 0.41 -0.75 4.63 4.90 2j63B1 ASP 342 HB2 0.13 0.02 0.09 -0.04 2.71 2.91 2j63B1 ASP 342 HB3 0.25 0.00 0.03 -0.04 2.70 2.93 2j63B1 TYR 343 H -0.58 0.05 -0.33 -0.55 8.29 6.88 2j63B1 TYR 343 HA -0.26 0.24 0.68 -0.75 4.56 4.47 2j63B1 TYR 343 HB2 -1.48 0.02 0.08 -0.04 3.06 1.64 2j63B1 TYR 343 HB3 -1.55 0.03 -0.08 -0.04 2.98 1.34 2j63B1 TYR 343 HD2 -0.27 0.01 -0.07 -0.04 7.15 6.78 2j63B1 TYR 343 HE2 -0.05 0.05 -0.03 -0.04 6.85 6.78 2j63B1 ASP 344 H -0.09 0.56 -0.51 -0.55 8.40 7.82 2j63B1 ASP 344 HA 0.12 0.16 0.67 -0.75 4.63 4.82 2j63B1 ASP 344 HB2 0.05 0.42 0.03 -0.04 2.71 3.17 2j63B1 ASP 344 HB3 0.11 -0.08 0.16 -0.04 2.70 2.84 2j63B1 ARG 345 H -0.02 0.29 -0.40 -0.55 8.46 7.78 2j63B1 ARG 345 HA -0.44 0.22 0.50 -0.75 4.34 3.86 2j63B1 ARG 345 HB2 -1.74 0.01 0.02 -0.04 1.90 0.14 2j63B1 ARG 345 HB3 -1.11 -0.08 0.05 -0.04 1.80 0.62 2j63B1 ARG 345 HG2 -1.22 -0.02 -0.19 -0.04 1.67 0.20 2j63B1 ARG 345 HG3 -0.99 0.08 -0.08 -0.04 1.67 0.65 2j63B1 ARG 345 HD2 -2.57 -0.09 -0.12 -0.04 3.22 0.40 2j63B1 ARG 345 HD3 -2.23 0.00 -0.09 -0.04 3.22 0.86 2j63B1 TYR 346 H -0.22 0.30 0.14 -0.55 8.29 7.96 2j63B1 TYR 346 HA 0.18 0.06 0.38 -0.75 4.56 4.43 2j63B1 TYR 346 HB2 -0.05 0.05 0.09 -0.04 3.06 3.11 2j63B1 TYR 346 HB3 -0.06 -0.04 0.17 -0.04 2.98 3.00 2j63B1 TYR 346 HD2 -0.30 0.18 -0.21 -0.04 7.15 6.79 2j63B1 TYR 346 HE2 -0.01 -0.06 -0.18 -0.04 6.85 6.56 2j63B1 TYR 347 H 0.13 0.11 0.17 -0.55 8.29 8.14 2j63B1 TYR 347 HA -0.12 0.17 0.70 -0.75 4.56 4.55 2j63B1 TYR 347 HB2 0.18 0.08 0.08 -0.04 3.06 3.35 2j63B1 TYR 347 HB3 -0.04 -0.05 0.11 -0.04 2.98 2.97 2j63B1 TYR 347 HD2 0.15 0.05 -0.22 -0.04 7.15 7.09 2j63B1 TYR 347 HE2 0.14 0.15 -0.09 -0.04 6.85 7.01 2j63B1 ALA 348 H -0.51 0.35 0.11 -0.55 8.40 7.80 2j63B1 ALA 348 HA 0.09 0.05 0.42 -0.75 4.34 4.14 2j63B1 ALA 348 HB3 0.06 0.03 -0.06 -0.04 1.41 1.39 2j63B1 GLY 349 H 0.04 0.11 0.10 -0.55 8.43 8.14 2j63B1 GLY 349 HA2 0.03 0.02 0.33 -0.51 4.01 3.87 2j63B1 GLY 349 HA3 -0.03 0.05 0.50 -0.51 4.01 4.02 2j63B1 THR 350 H -0.02 0.07 0.21 -0.55 8.28 8.00 2j63B1 THR 350 HA 0.11 0.25 0.96 -0.75 4.39 4.96 2j63B1 THR 350 HB 0.08 0.08 0.10 -0.04 4.32 4.55 2j63B1 THR 350 HG23 0.03 -0.14 0.08 -0.04 1.22 1.16 2j63B1 PHE 351 H 0.28 0.17 0.20 -0.55 8.34 8.44 2j63B1 PHE 351 HA -0.04 0.13 0.52 -0.75 4.62 4.48 2j63B1 PHE 351 HB2 0.20 0.12 0.28 -0.04 3.15 3.70 2j63B1 PHE 351 HB3 0.10 0.09 0.18 -0.04 3.06 3.38 2j63B1 PHE 351 HD2 0.14 0.12 -0.01 -0.04 7.28 7.50 2j63B1 PHE 351 HE2 0.19 0.06 0.01 -0.04 7.38 7.60 2j63B1 PHE 351 HZ 0.04 -0.02 -0.01 -0.04 7.32 7.30 2j63B1 LYS 352 H 0.15 0.03 -0.05 -0.55 8.42 7.99 2j63B1 LYS 352 HA -0.01 0.29 0.52 -0.75 4.32 4.36 2j63B1 LYS 352 HB2 0.06 0.28 0.13 -0.04 1.87 2.30 2j63B1 LYS 352 HB3 0.06 -0.20 0.10 -0.04 1.79 1.71 2j63B1 LYS 352 HG2 0.02 -0.06 -0.31 -0.04 1.46 1.06 2j63B1 LYS 352 HG3 0.01 0.04 -0.08 -0.04 1.46 1.40 2j63B1 LYS 352 HD2 0.04 -0.03 -0.01 -0.04 1.69 1.65 2j63B1 LYS 352 HD3 0.02 -0.05 -0.06 -0.04 1.68 1.56 2j63B1 LYS 352 HE2 0.03 0.15 -0.15 -0.04 2.99 2.98 2j63B1 LYS 352 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.93 2j63B1 SER 353 H -0.00 -0.02 -0.25 -0.55 8.46 7.64 2j63B1 SER 353 HA -0.01 0.07 0.36 -0.75 4.49 4.16 2j63B1 SER 353 HB2 0.00 -0.05 0.11 -0.04 3.95 3.96 2j63B1 SER 353 HB3 -0.04 0.02 0.16 -0.04 3.93 4.03 2j63B1 MET 354 H -0.10 0.38 -0.31 -0.55 8.47 7.89 2j63B1 MET 354 HA -0.13 0.01 0.52 -0.75 4.52 4.16 2j63B1 MET 354 HB2 -0.20 0.20 0.26 -0.04 2.15 2.37 2j63B1 MET 354 HB3 -0.26 -0.01 0.01 -0.04 2.03 1.74 2j63B1 MET 354 HG2 -0.47 -0.04 0.07 -0.04 2.63 2.16 2j63B1 MET 354 HG3 -0.32 0.20 0.06 -0.04 2.56 2.46 2j63B1 MET 354 HE3 -0.02 0.03 -0.02 -0.04 2.10 2.04 2j63B1 GLN 355 H -0.10 0.47 -0.16 -0.55 8.47 8.13 2j63B1 GLN 355 HA 0.09 0.16 0.26 -0.75 4.36 4.11 2j63B1 GLN 355 HB2 -0.14 0.08 0.12 -0.04 2.15 2.16 2j63B1 GLN 355 HB3 -0.19 -0.14 0.21 -0.04 2.02 1.86 2j63B1 GLN 355 HG2 -0.75 0.03 0.04 -0.04 2.40 1.67 2j63B1 GLN 355 HG3 -0.66 0.19 0.11 -0.04 2.39 1.99 2j63B1 GLN 355 HE21 -0.05 0.20 -0.50 -0.04 6.97 6.58 2j63B1 GLN 355 HE22 -0.23 -0.12 -0.05 -0.04 7.69 7.25 2j63B1 GLU 356 H 0.03 0.23 -0.85 -0.55 8.60 7.46 2j63B1 GLU 356 HA 0.02 0.11 0.82 -0.75 4.29 4.48 2j63B1 GLU 356 HB2 0.02 0.19 0.03 -0.04 2.09 2.29 2j63B1 GLU 356 HB3 0.02 -0.08 0.06 -0.04 1.99 1.95 2j63B1 GLU 356 HG2 0.01 -0.04 -0.02 -0.04 2.34 2.25 2j63B1 GLU 356 HG3 -0.00 0.18 -0.11 -0.04 2.34 2.36 2j63B1 CYS 357 H 0.15 0.43 -0.18 -0.55 8.50 8.35 2j63B1 CYS 357 HA 0.09 0.08 0.73 -0.75 4.58 4.73 2j63B1 CYS 357 HB2 0.46 0.22 0.10 -0.04 2.97 3.72 2j63B1 CYS 357 HB3 0.33 -0.01 -0.05 -0.04 2.97 3.20 2j63B1 SER 358 H -0.01 0.15 0.10 -0.55 8.46 8.15 2j63B1 SER 358 HA 0.00 0.00 0.49 -0.75 4.49 4.23 2j63B1 SER 358 HB2 -0.06 -0.20 0.09 -0.04 3.95 3.73 2j63B1 SER 358 HB3 -0.05 0.29 0.07 -0.04 3.93 4.20 2j63B1 GLY 359 H 0.02 0.07 0.19 -0.55 8.43 8.15 2j63B1 GLY 359 HA2 -0.00 0.28 0.27 -0.51 4.01 4.05 2j63B1 GLY 359 HA3 -0.05 0.14 0.58 -0.51 4.01 4.17 2j63B1 PHE 360 H 0.33 0.43 -0.19 -0.55 8.34 8.35 2j63B1 PHE 360 HA 0.11 0.23 0.87 -0.75 4.62 5.07 2j63B1 PHE 360 HB2 0.40 -0.09 -0.21 -0.04 3.15 3.22 2j63B1 PHE 360 HB3 0.08 0.19 -0.02 -0.04 3.06 3.26 2j63B1 PHE 360 HD2 -0.12 0.01 -0.31 -0.04 7.28 6.82 2j63B1 PHE 360 HE2 -0.32 0.06 -0.09 -0.04 7.38 6.99 2j63B1 PHE 360 HZ 0.14 -0.03 0.02 -0.04 7.32 7.40 2j63B1 ALA 361 H 0.08 -0.17 0.07 -0.55 8.40 7.83 2j63B1 ALA 361 HA -0.05 0.51 0.60 -0.75 4.34 4.66 2j63B1 ALA 361 HB3 -0.00 -0.05 0.08 -0.04 1.41 1.40 2j63B1 PRO 362 HA -0.12 0.16 0.36 -0.51 4.44 4.32 2j63B1 PRO 362 HB2 -0.03 -0.12 0.10 -0.04 2.28 2.18 2j63B1 PRO 362 HB3 -0.05 0.07 0.11 -0.04 2.02 2.11 2j63B1 PRO 362 HG2 -0.04 0.06 0.09 -0.04 2.03 2.10 2j63B1 PRO 362 HG3 -0.09 0.15 0.08 -0.04 2.03 2.12 2j63B1 PRO 362 HD2 -0.04 -0.01 0.23 -0.04 3.68 3.82 2j63B1 PRO 362 HD3 -0.09 0.41 0.34 -0.04 3.65 4.27 2j63B1 GLU 363 H -0.02 0.15 -0.14 -0.55 8.60 8.04 2j63B1 GLU 363 HA -0.00 0.08 0.33 -0.75 4.29 3.94 2j63B1 GLU 363 HB2 -0.00 0.01 0.04 -0.04 2.09 2.09 2j63B1 GLU 363 HB3 0.00 0.05 0.01 -0.04 1.99 2.01 2j63B1 GLU 363 HG2 -0.00 0.04 0.03 -0.04 2.34 2.37 2j63B1 GLU 363 HG3 -0.01 -0.03 -0.01 -0.04 2.34 2.26 2j63B1 GLU 364 H -0.01 0.09 -0.30 -0.55 8.60 7.83 2j63B1 GLU 364 HA 0.03 0.04 0.40 -0.75 4.29 4.01 2j63B1 GLU 364 HB2 0.00 0.15 -0.01 -0.04 2.09 2.19 2j63B1 GLU 364 HB3 0.00 0.11 -0.08 -0.04 1.99 1.98 2j63B1 GLU 364 HG2 -0.01 0.09 0.03 -0.04 2.34 2.40 2j63B1 GLU 364 HG3 -0.00 -0.07 0.01 -0.04 2.34 2.24 2j63B1 ARG 365 H -0.02 0.47 -0.27 -0.55 8.46 8.09 2j63B1 ARG 365 HA 0.11 0.04 0.37 -0.75 4.34 4.10 2j63B1 ARG 365 HB2 -0.05 0.04 0.05 -0.04 1.90 1.90 2j63B1 ARG 365 HB3 0.02 0.03 0.04 -0.04 1.80 1.85 2j63B1 ARG 365 HG2 -0.02 -0.13 -0.17 -0.04 1.67 1.32 2j63B1 ARG 365 HG3 -0.17 0.21 -0.21 -0.04 1.67 1.46 2j63B1 ARG 365 HD2 -0.05 0.03 0.02 -0.04 3.22 3.18 2j63B1 ARG 365 HD3 -0.29 0.04 0.02 -0.04 3.22 2.95 2j63B1 MET 366 H 0.01 0.55 -0.04 -0.55 8.47 8.44 2j63B1 MET 366 HA 0.02 0.05 0.37 -0.75 4.52 4.21 2j63B1 MET 366 HB2 0.01 0.04 0.08 -0.04 2.15 2.24 2j63B1 MET 366 HB3 0.01 -0.04 0.01 -0.04 2.03 1.96 2j63B1 MET 366 HG2 0.00 -0.01 0.01 -0.04 2.63 2.59 2j63B1 MET 366 HG3 -0.01 0.42 0.10 -0.04 2.56 3.03 2j63B1 MET 366 HE3 -0.00 -0.05 -0.17 -0.04 2.10 1.84 2j63B1 SER 367 H 0.06 0.41 -0.40 -0.55 8.46 7.97 2j63B1 SER 367 HA 0.04 0.04 0.35 -0.75 4.49 4.17 2j63B1 SER 367 HB2 0.04 0.07 0.10 -0.04 3.95 4.12 2j63B1 SER 367 HB3 0.08 0.08 0.11 -0.04 3.93 4.17 2j63B1 PHE 368 H 0.22 0.49 -0.13 -0.55 8.34 8.37 2j63B1 PHE 368 HA 0.14 0.01 0.43 -0.75 4.62 4.45 2j63B1 PHE 368 HB2 0.01 0.04 0.05 -0.04 3.15 3.21 2j63B1 PHE 368 HB3 -0.01 0.13 0.13 -0.04 3.06 3.27 2j63B1 PHE 368 HD2 0.04 0.02 -0.08 -0.04 7.28 7.22 2j63B1 PHE 368 HE2 -0.36 -0.02 -0.12 -0.04 7.38 6.85 2j63B1 PHE 368 HZ -0.50 -0.05 -0.12 -0.04 7.32 6.60 2j63B1 ARG 369 H 0.08 0.64 -0.12 -0.55 8.46 8.50 2j63B1 ARG 369 HA -0.22 0.01 0.38 -0.75 4.34 3.75 2j63B1 ARG 369 HB2 0.00 0.09 0.09 -0.04 1.90 2.04 2j63B1 ARG 369 HB3 -0.03 -0.03 0.01 -0.04 1.80 1.71 2j63B1 ARG 369 HG2 -0.01 -0.07 0.01 -0.04 1.67 1.56 2j63B1 ARG 369 HG3 0.07 0.28 0.06 -0.04 1.67 2.03 2j63B1 ARG 369 HD2 0.02 -0.03 -0.05 -0.04 3.22 3.11 2j63B1 ARG 369 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.15 2j63B1 GLU 370 H 0.01 0.37 -0.47 -0.55 8.60 7.96 2j63B1 GLU 370 HA -0.01 0.00 0.34 -0.75 4.29 3.87 2j63B1 GLU 370 HB2 0.01 0.27 0.19 -0.04 2.09 2.51 2j63B1 GLU 370 HB3 0.01 0.13 0.11 -0.04 1.99 2.20 2j63B1 GLU 370 HG2 -0.01 -0.05 0.03 -0.04 2.34 2.26 2j63B1 GLU 370 HG3 -0.01 -0.03 0.02 -0.04 2.34 2.28 2j63B1 THR 371 H 0.03 0.50 -0.16 -0.55 8.28 8.10 2j63B1 THR 371 HA -0.01 0.00 0.42 -0.75 4.39 4.05 2j63B1 THR 371 HB 0.19 0.08 0.14 -0.04 4.32 4.70 2j63B1 THR 371 HG23 -0.07 -0.02 -0.20 -0.04 1.22 0.89 2j63B1 MET 372 H -0.10 0.59 -0.15 -0.55 8.47 8.27 2j63B1 MET 372 HA 0.10 -0.05 0.21 -0.75 4.52 4.03 2j63B1 MET 372 HB2 -0.15 0.12 0.08 -0.04 2.15 2.16 2j63B1 MET 372 HB3 -0.04 0.22 -0.04 -0.04 2.03 2.13 2j63B1 MET 372 HG2 -0.06 -0.09 -0.20 -0.04 2.63 2.25 2j63B1 MET 372 HG3 -0.64 0.17 -0.05 -0.04 2.56 2.01 2j63B1 MET 372 HE3 -0.42 0.02 -0.10 -0.04 2.10 1.57 2j63B1 GLN 373 H -0.03 0.41 -0.34 -0.55 8.47 7.96 2j63B1 GLN 373 HA 0.01 0.06 0.60 -0.75 4.36 4.28 2j63B1 GLN 373 HB2 -0.01 0.08 0.13 -0.04 2.15 2.30 2j63B1 GLN 373 HB3 -0.01 0.05 0.18 -0.04 2.02 2.20 2j63B1 GLN 373 HG2 0.01 -0.01 0.07 -0.04 2.40 2.42 2j63B1 GLN 373 HG3 -0.00 -0.04 0.01 -0.04 2.39 2.32 2j63B1 GLN 373 HE21 -0.01 -0.04 -0.03 -0.04 6.97 6.86 2j63B1 GLN 373 HE22 -0.01 -0.02 -0.02 -0.04 7.69 7.61 2j63B1 ARG 374 H -0.00 0.85 0.13 -0.55 8.46 8.88 2j63B1 ARG 374 HA -0.01 0.04 0.40 -0.75 4.34 4.02 2j63B1 ARG 374 HB2 -0.03 0.12 0.13 -0.04 1.90 2.07 2j63B1 ARG 374 HB3 -0.06 -0.03 0.03 -0.04 1.80 1.71 2j63B1 ARG 374 HG2 -0.04 0.00 0.07 -0.04 1.67 1.65 2j63B1 ARG 374 HG3 -0.03 -0.03 0.02 -0.04 1.67 1.60 2j63B1 ARG 374 HD2 -0.04 -0.04 -0.00 -0.04 3.22 3.09 2j63B1 ARG 374 HD3 -0.05 -0.00 -0.01 -0.04 3.22 3.11 2j63B1 THR 375 H 0.06 0.37 -0.48 -0.55 8.28 7.68 2j63B1 THR 375 HA 0.16 0.15 0.77 -0.75 4.39 4.72 2j63B1 THR 375 HB 0.34 -0.05 -0.03 -0.04 4.32 4.54 2j63B1 THR 375 HG23 -0.05 -0.01 -0.10 -0.04 1.22 1.02 2j63B1 ASN 376 H 0.07 0.42 -0.28 -0.55 8.53 8.19 2j63B1 ASN 376 HA 0.05 0.07 0.44 -0.75 4.76 4.56 2j63B1 ASN 376 HB2 0.06 0.03 -0.07 -0.04 2.88 2.86 2j63B1 ASN 376 HB3 0.07 0.07 0.07 -0.04 2.79 2.96 2j63B1 ASN 376 HD21 0.03 -0.02 0.06 -0.04 7.03 7.06 2j63B1 ASN 376 HD22 0.04 0.02 0.08 -0.04 7.74 7.83 2j63B1 SER 377 H 0.09 0.71 0.12 -0.55 8.46 8.84 2j63B1 SER 377 HA -0.01 0.12 0.93 -0.75 4.49 4.78 2j63B1 SER 377 HB2 0.15 -0.11 -0.31 -0.04 3.95 3.64 2j63B1 SER 377 HB3 -0.04 0.03 -0.35 -0.04 3.93 3.53 2j63B1 VAL 378 H 0.08 0.60 0.24 -0.55 8.24 8.61 2j63B1 VAL 378 HA 0.06 0.13 0.87 -0.75 4.13 4.43 2j63B1 VAL 378 HB 0.08 0.03 -0.10 -0.04 2.12 2.09 2j63B1 VAL 378 HG13 0.04 0.01 -0.22 -0.04 0.97 0.75 2j63B1 VAL 378 HG23 0.07 0.03 -0.06 -0.04 0.95 0.95 2j63B1 ASP 379 H 0.09 0.20 0.08 -0.55 8.40 8.22 2j63B1 ASP 379 HA 0.26 0.11 0.67 -0.75 4.63 4.93 2j63B1 ASP 379 HB2 0.27 0.05 0.08 -0.04 2.71 3.06 2j63B1 ASP 379 HB3 0.18 0.05 0.17 -0.04 2.70 3.06 2j63B1 ILE 380 H 0.25 0.71 0.36 -0.55 8.25 9.03 2j63B1 ILE 380 HA 0.15 0.07 0.02 -0.75 4.18 3.67 2j63B1 ILE 380 HB 0.19 0.06 0.09 -0.04 1.89 2.19 2j63B1 ILE 380 HG12 0.15 0.06 -0.03 -0.04 1.49 1.63 2j63B1 ILE 380 HG13 0.15 -0.02 -0.07 -0.04 1.21 1.23 2j63B1 ILE 380 HG23 0.27 0.03 -0.01 -0.04 0.93 1.19 2j63B1 ILE 380 HD13 0.11 0.02 0.01 -0.04 0.88 0.98 2j63B1 PHE 381 H 0.35 0.05 -0.13 -0.55 8.34 8.06 2j63B1 PHE 381 HA 0.30 0.15 0.44 -0.75 4.62 4.75 2j63B1 PHE 381 HB2 0.09 -0.04 0.06 -0.04 3.15 3.23 2j63B1 PHE 381 HB3 0.05 -0.04 0.01 -0.04 3.06 3.04 2j63B1 PHE 381 HD2 0.26 0.03 -0.13 -0.04 7.28 7.39 2j63B1 PHE 381 HE2 -0.15 0.04 0.07 -0.04 7.38 7.30 2j63B1 PHE 381 HZ -1.01 -0.03 -0.01 -0.04 7.32 6.23 2j63B1 ARG 382 H 0.25 0.16 -0.32 -0.55 8.46 8.01 2j63B1 ARG 382 HA 0.09 0.17 0.26 -0.75 4.34 4.11 2j63B1 ARG 382 HB2 0.17 -0.01 0.04 -0.04 1.90 2.06 2j63B1 ARG 382 HB3 0.13 0.05 0.08 -0.04 1.80 2.02 2j63B1 ARG 382 HG2 0.33 -0.10 -0.16 -0.04 1.67 1.70 2j63B1 ARG 382 HG3 0.21 -0.09 -0.02 -0.04 1.67 1.72 2j63B1 ARG 382 HD2 0.11 -0.03 0.00 -0.04 3.22 3.26 2j63B1 ARG 382 HD3 0.19 0.15 -0.05 -0.04 3.22 3.47 2j63B1 GLN 383 H 0.10 0.25 -0.36 -0.55 8.47 7.92 2j63B1 GLN 383 HA 0.03 0.11 0.82 -0.75 4.36 4.57 2j63B1 GLN 383 HB2 0.08 -0.02 0.05 -0.04 2.15 2.22 2j63B1 GLN 383 HB3 0.03 0.07 -0.07 -0.04 2.02 2.00 2j63B1 GLN 383 HG2 0.03 0.01 0.05 -0.04 2.40 2.46 2j63B1 GLN 383 HG3 0.06 -0.08 -0.07 -0.04 2.39 2.26 2j63B1 GLN 383 HE21 0.04 0.02 -0.02 -0.04 6.97 6.96 2j63B1 GLN 383 HE22 0.04 -0.04 -0.04 -0.04 7.69 7.60 2j63B1 LEU 384 H -0.01 0.34 -0.11 -0.55 8.37 8.04 2j63B1 LEU 384 HA -0.21 0.13 0.66 -0.75 4.35 4.17 2j63B1 LEU 384 HB2 -0.14 0.05 0.17 -0.04 1.64 1.67 2j63B1 LEU 384 HB3 -0.62 -0.06 0.09 -0.04 1.64 1.01 2j63B1 LEU 384 HG 0.02 0.06 -0.01 -0.04 1.64 1.68 2j63B1 LEU 384 HD13 0.15 -0.03 -0.13 -0.04 0.93 0.88 2j63B1 LEU 384 HD23 -0.04 0.05 -0.06 -0.04 0.89 0.79 2j63B1 TYR 385 H -0.09 0.44 -0.03 -0.55 8.29 8.07 2j63B1 TYR 385 HA -0.05 0.20 0.88 -0.75 4.56 4.83 2j63B1 TYR 385 HB2 -0.62 0.03 0.19 -0.04 3.06 2.62 2j63B1 TYR 385 HB3 -0.02 -0.10 0.14 -0.04 2.98 2.96 2j63B1 TYR 385 HD2 -0.34 0.06 0.06 -0.04 7.15 6.89 2j63B1 TYR 385 HE2 0.03 0.09 0.10 -0.04 6.85 7.03 2j63B1 PRO 386 HA 0.11 0.07 0.20 -0.51 4.44 4.30 2j63B1 PRO 386 HB2 0.07 -0.05 0.02 -0.04 2.28 2.27 2j63B1 PRO 386 HB3 0.05 0.19 0.14 -0.04 2.02 2.36 2j63B1 PRO 386 HG2 0.03 -0.02 0.02 -0.04 2.03 2.02 2j63B1 PRO 386 HG3 0.01 0.07 0.02 -0.04 2.03 2.08 2j63B1 PRO 386 HD2 0.01 0.07 0.03 -0.04 3.68 3.75 2j63B1 PRO 386 HD3 -0.03 0.28 -0.36 -0.04 3.65 3.49 2j63B1 GLN 387 H 0.09 0.05 -0.34 -0.55 8.47 7.73 2j63B1 GLN 387 HA 0.01 0.15 0.79 -0.75 4.36 4.57 2j63B1 GLN 387 HB2 0.02 -0.02 0.02 -0.04 2.15 2.13 2j63B1 GLN 387 HB3 -0.06 0.11 0.17 -0.04 2.02 2.20 2j63B1 GLN 387 HG2 0.02 -0.07 -0.17 -0.04 2.40 2.14 2j63B1 GLN 387 HG3 -0.02 0.02 -0.00 -0.04 2.39 2.35 2j63B1 GLN 387 HE21 -0.25 -0.12 -0.14 -0.04 6.97 6.42 2j63B1 GLN 387 HE22 -0.20 0.36 -0.31 -0.04 7.69 7.50 2j63B1 ALA 388 H 0.17 0.23 -0.17 -0.55 8.40 8.09 2j63B1 ALA 388 HA 0.14 0.39 0.38 -0.75 4.34 4.50 2j63B1 ALA 388 HB3 0.31 -0.03 0.03 -0.04 1.41 1.68 2j63B1 GLY 389 H 0.20 0.34 0.08 -0.55 8.43 8.51 2j63B1 GLY 389 HA2 0.17 -0.20 0.29 -0.51 4.01 3.76 2j63B1 GLY 389 HA3 0.17 0.13 0.33 -0.51 4.01 4.13 2j63B1 PRO 390 HA 0.27 0.10 0.36 -0.51 4.44 4.66 2j63B1 PRO 390 HB2 -0.36 0.03 -0.04 -0.04 2.28 1.87 2j63B1 PRO 390 HB3 0.23 0.03 0.04 -0.04 2.02 2.28 2j63B1 PRO 390 HG2 0.03 0.04 0.14 -0.04 2.03 2.20 2j63B1 PRO 390 HG3 -0.00 0.03 0.09 -0.04 2.03 2.11 2j63B1 PRO 390 HD2 0.11 0.01 0.18 -0.04 3.68 3.94 2j63B1 PRO 390 HD3 0.17 0.18 0.50 -0.04 3.65 4.47 2j63B1 VAL 391 H -0.13 0.30 0.06 -0.55 8.24 7.93 2j63B1 VAL 391 HA -0.17 0.19 0.89 -0.75 4.13 4.29 2j63B1 VAL 391 HB -0.04 -0.00 0.09 -0.04 2.12 2.13 2j63B1 VAL 391 HG13 -0.49 0.01 -0.05 -0.04 0.97 0.40 2j63B1 VAL 391 HG23 0.04 0.02 -0.28 -0.04 0.95 0.70 2j63B1 TYR 392 H 0.00 0.24 0.04 -0.55 8.29 8.02 2j63B1 TYR 392 HA -0.12 0.15 0.68 -0.75 4.56 4.52 2j63B1 TYR 392 HB2 -0.14 0.05 -0.14 -0.04 3.06 2.78 2j63B1 TYR 392 HB3 -0.59 -0.00 -0.05 -0.04 2.98 2.30 2j63B1 TYR 392 HD2 0.22 0.09 -0.37 -0.04 7.15 7.06 2j63B1 TYR 392 HE2 0.20 0.22 -0.20 -0.04 6.85 7.03 2j63B1 SER 393 H -0.21 0.47 0.53 -0.55 8.46 8.70 2j63B1 SER 393 HA -0.08 0.25 0.88 -0.75 4.49 4.79 2j63B1 SER 393 HB2 0.16 0.11 0.20 -0.04 3.95 4.38 2j63B1 SER 393 HB3 0.20 0.11 0.04 -0.04 3.93 4.24 2j63B1 PHE 394 H -0.70 0.35 0.41 -0.55 8.34 7.85 2j63B1 PHE 394 HA -0.52 0.42 1.05 -0.75 4.62 4.81 2j63B1 PHE 394 HB2 -0.64 -0.00 -0.07 -0.04 3.15 2.40 2j63B1 PHE 394 HB3 -0.32 -0.04 0.09 -0.04 3.06 2.74 2j63B1 PHE 394 HD2 -0.71 0.04 -0.19 -0.04 7.28 6.38 2j63B1 PHE 394 HE2 -0.36 -0.00 -0.10 -0.04 7.38 6.88 2j63B1 PHE 394 HZ -0.18 -0.07 -0.06 -0.04 7.32 6.97 2j63B1 TRP 395 H -0.67 0.67 0.22 -0.55 7.97 7.64 2j63B1 TRP 395 HA -0.49 0.07 0.77 -0.75 4.62 4.21 2j63B1 TRP 395 HB2 -0.23 0.05 0.02 -0.04 3.23 3.03 2j63B1 TRP 395 HB3 -0.22 -0.09 -0.26 -0.04 3.23 2.62 2j63B1 TRP 395 HD1 -0.08 0.03 -0.64 -0.04 7.22 6.49 2j63B1 TRP 395 HE1 0.27 0.05 -0.26 -0.04 10.20 10.22 2j63B1 TRP 395 HE3 -0.06 0.17 -0.21 -0.04 7.59 7.45 2j63B1 TRP 395 HZ2 0.10 0.03 -0.17 -0.04 7.44 7.36 2j63B1 TRP 395 HZ3 0.07 0.05 -0.30 -0.04 7.13 6.91 2j63B1 TRP 395 HH2 0.03 0.05 -0.15 -0.04 7.19 7.09 2j63B1 SER 396 H -0.34 0.19 0.12 -0.55 8.46 7.89 2j63B1 SER 396 HA -0.19 0.01 0.43 -0.75 4.49 3.99 2j63B1 SER 396 HB2 0.06 0.06 0.12 -0.04 3.95 4.15 2j63B1 SER 396 HB3 0.03 0.04 0.14 -0.04 3.93 4.10 2j63B1 GLN 397 H 0.02 0.09 0.27 -0.55 8.47 8.30 2j63B1 GLN 397 HA -0.01 0.20 0.78 -0.75 4.36 4.58 2j63B1 GLN 397 HB2 0.03 -0.08 0.16 -0.04 2.15 2.23 2j63B1 GLN 397 HB3 0.01 0.04 0.09 -0.04 2.02 2.12 2j63B1 GLN 397 HG2 0.01 0.03 0.08 -0.04 2.40 2.47 2j63B1 GLN 397 HG3 0.02 0.04 0.08 -0.04 2.39 2.49 2j63B1 GLN 397 HE21 0.03 0.05 0.02 -0.04 6.97 7.03 2j63B1 GLN 397 HE22 0.06 -0.08 0.07 -0.04 7.69 7.70 2j63B1 ARG 398 H 0.03 -0.08 -0.02 -0.55 8.46 7.83 2j63B1 ARG 398 HA 0.02 0.10 0.54 -0.75 4.34 4.24 2j63B1 ARG 398 HB2 0.03 -0.01 0.10 -0.04 1.90 1.99 2j63B1 ARG 398 HB3 0.04 -0.09 0.08 -0.04 1.80 1.79 2j63B1 ARG 398 HG2 0.04 0.04 -0.31 -0.04 1.67 1.39 2j63B1 ARG 398 HG3 0.03 0.02 0.02 -0.04 1.67 1.70 2j63B1 ARG 398 HD2 0.05 -0.04 -0.02 -0.04 3.22 3.17 2j63B1 ARG 398 HD3 0.04 0.02 -0.04 -0.04 3.22 3.20 2j63B1 ILE 399 H 0.02 -0.01 -0.29 -0.55 8.25 7.41 2j63B1 ILE 399 HA 0.00 0.19 0.67 -0.75 4.18 4.29 2j63B1 ILE 399 HB -0.02 -0.03 0.04 -0.04 1.89 1.84 2j63B1 ILE 399 HG12 0.03 -0.14 -0.01 -0.04 1.49 1.33 2j63B1 ILE 399 HG13 -0.02 0.12 -0.11 -0.04 1.21 1.16 2j63B1 ILE 399 HG23 0.04 -0.00 -0.07 -0.04 0.93 0.86 2j63B1 ILE 399 HD13 -0.08 0.03 -0.03 -0.04 0.88 0.75 2j63B1 ASN 400 H -0.03 0.15 -0.02 -0.55 8.53 8.09 2j63B1 ASN 400 HA -0.03 0.20 0.79 -0.75 4.76 4.96 2j63B1 ASN 400 HB2 -0.03 -0.01 0.09 -0.04 2.88 2.90 2j63B1 ASN 400 HB3 -0.04 -0.01 0.20 -0.04 2.79 2.90 2j63B1 ASN 400 HD21 -0.05 0.02 0.00 -0.04 7.03 6.96 2j63B1 ASN 400 HD22 -0.06 -0.06 -0.06 -0.04 7.74 7.52 2j63B1 GLY 401 H -0.04 0.57 -0.37 -0.55 8.43 8.05 2j63B1 GLY 401 HA2 -0.07 0.03 0.11 -0.51 4.01 3.56 2j63B1 GLY 401 HA3 -0.00 0.08 0.17 -0.51 4.01 3.75 2j63B1 ARG 402 H -0.08 0.13 -0.13 -0.55 8.46 7.83 2j63B1 ARG 402 HA -0.82 0.04 0.20 -0.75 4.34 3.01 2j63B1 ARG 402 HB2 -0.18 -0.01 0.05 -0.04 1.90 1.72 2j63B1 ARG 402 HB3 -0.26 0.05 0.02 -0.04 1.80 1.57 2j63B1 ARG 402 HG2 -0.69 0.04 -0.13 -0.04 1.67 0.85 2j63B1 ARG 402 HG3 -1.51 -0.04 -0.07 -0.04 1.67 0.00 2j63B1 ARG 402 HD2 -0.09 0.01 -0.04 -0.04 3.22 3.06 2j63B1 ARG 402 HD3 -0.19 -0.04 -0.05 -0.04 3.22 2.90 2j63B1 PRO 403 HA -0.16 0.10 0.42 -0.51 4.44 4.28 2j63B1 PRO 403 HB2 -0.08 0.05 -0.03 -0.04 2.28 2.18 2j63B1 PRO 403 HB3 -0.09 0.02 0.06 -0.04 2.02 1.98 2j63B1 PRO 403 HG2 -0.08 0.03 0.01 -0.04 2.03 1.94 2j63B1 PRO 403 HG3 -0.11 0.04 0.02 -0.04 2.03 1.95 2j63B1 PRO 403 HD2 -0.11 0.15 -0.26 -0.04 3.68 3.42 2j63B1 PRO 403 HD3 -0.14 0.05 0.04 -0.04 3.65 3.55 2j63B1 ARG 404 H -0.10 0.25 -0.45 -0.55 8.46 7.60 2j63B1 ARG 404 HA -0.06 0.12 0.57 -0.75 4.34 4.22 2j63B1 ARG 404 HB2 -0.08 0.04 0.03 -0.04 1.90 1.85 2j63B1 ARG 404 HB3 -0.06 -0.04 0.11 -0.04 1.80 1.77 2j63B1 ARG 404 HG2 -0.05 -0.02 -0.05 -0.04 1.67 1.51 2j63B1 ARG 404 HG3 -0.06 -0.03 -0.06 -0.04 1.67 1.48 2j63B1 ARG 404 HD2 -0.04 -0.06 0.01 -0.04 3.22 3.09 2j63B1 ARG 404 HD3 -0.06 0.05 -0.01 -0.04 3.22 3.16 2j63B1 ASN 405 H -0.13 0.41 -0.42 -0.55 8.53 7.84 2j63B1 ASN 405 HA 0.07 0.02 0.24 -0.75 4.76 4.34 2j63B1 ASN 405 HB2 -0.02 0.06 -0.09 -0.04 2.88 2.79 2j63B1 ASN 405 HB3 0.09 0.02 0.04 -0.04 2.79 2.90 2j63B1 ASN 405 HD21 0.20 -0.06 -0.03 -0.04 7.03 7.11 2j63B1 ASN 405 HD22 -0.13 0.10 0.00 -0.04 7.74 7.67 2j63B1 LEU 406 H 0.01 0.27 -0.34 -0.55 8.37 7.77 2j63B1 LEU 406 HA 0.04 0.14 0.94 -0.75 4.35 4.71 2j63B1 LEU 406 HB2 -1.12 -0.05 0.04 -0.04 1.64 0.48 2j63B1 LEU 406 HB3 -0.20 0.13 -0.00 -0.04 1.64 1.52 2j63B1 LEU 406 HG -0.90 -0.08 -0.00 -0.04 1.64 0.62 2j63B1 LEU 406 HD13 -0.15 0.01 -0.03 -0.04 0.93 0.72 2j63B1 LEU 406 HD23 -0.17 -0.02 -0.03 -0.04 0.89 0.63 2j63B1 GLY 407 H -0.60 0.25 -0.01 -0.55 8.43 7.53 2j63B1 GLY 407 HA2 -0.05 0.01 0.81 -0.51 4.01 4.27 2j63B1 GLY 407 HA3 -0.65 0.23 0.38 -0.51 4.01 3.46 2j63B1 TRP 408 H -0.23 0.61 0.37 -0.55 7.97 8.17 2j63B1 TRP 408 HA -0.27 0.36 1.06 -0.75 4.62 5.01 2j63B1 TRP 408 HB2 0.10 -0.14 -0.02 -0.04 3.23 3.12 2j63B1 TRP 408 HB3 -0.04 0.08 -0.10 -0.04 3.23 3.13 2j63B1 TRP 408 HD1 -0.04 -0.12 -0.17 -0.04 7.22 6.85 2j63B1 TRP 408 HE1 0.15 -0.02 -0.10 -0.04 10.20 10.20 2j63B1 TRP 408 HE3 -0.03 0.01 -0.22 -0.04 7.59 7.31 2j63B1 TRP 408 HZ2 -0.08 -0.03 -0.07 -0.04 7.44 7.22 2j63B1 TRP 408 HZ3 0.08 -0.07 -0.55 -0.04 7.13 6.55 2j63B1 TRP 408 HH2 -0.03 0.01 -0.20 -0.04 7.19 6.93 2j63B1 ARG 409 H 0.17 0.92 0.36 -0.55 8.46 9.36 2j63B1 ARG 409 HA -0.02 -0.13 1.05 -0.75 4.34 4.48 2j63B1 ARG 409 HB2 0.13 0.31 0.32 -0.04 1.90 2.61 2j63B1 ARG 409 HB3 0.00 -0.06 0.39 -0.04 1.80 2.09 2j63B1 ARG 409 HG2 -0.52 -0.05 -0.03 -0.04 1.67 1.03 2j63B1 ARG 409 HG3 -0.20 -0.01 0.01 -0.04 1.67 1.43 2j63B1 ARG 409 HD2 -0.16 0.10 0.01 -0.04 3.22 3.12 2j63B1 ARG 409 HD3 -0.04 -0.04 0.09 -0.04 3.22 3.19 2j63B1 LEU 410 H -0.01 0.11 0.06 -0.55 8.37 7.98 2j63B1 LEU 410 HA 0.13 0.41 0.82 -0.75 4.35 4.95 2j63B1 LEU 410 HB2 0.05 0.04 -0.02 -0.04 1.64 1.66 2j63B1 LEU 410 HB3 -0.05 -0.19 0.09 -0.04 1.64 1.45 2j63B1 LEU 410 HG 0.15 -0.04 -0.37 -0.04 1.64 1.34 2j63B1 LEU 410 HD13 -0.60 0.00 -0.11 -0.04 0.93 0.18 2j63B1 LEU 410 HD23 0.11 0.06 -0.39 -0.04 0.89 0.63 2j63B1 ASP 411 H -0.26 0.09 0.04 -0.55 8.40 7.72 2j63B1 ASP 411 HA -0.11 0.26 1.10 -0.75 4.63 5.12 2j63B1 ASP 411 HB2 -0.07 0.04 0.08 -0.04 2.71 2.72 2j63B1 ASP 411 HB3 -0.13 0.06 -0.05 -0.04 2.70 2.55 2j63B1 TYR 412 H -0.22 0.59 0.39 -0.55 8.29 8.49 2j63B1 TYR 412 HA -0.46 0.18 0.94 -0.75 4.56 4.47 2j63B1 TYR 412 HB2 -0.43 0.01 -0.08 -0.04 3.06 2.52 2j63B1 TYR 412 HB3 -0.16 -0.02 -0.15 -0.04 2.98 2.61 2j63B1 TYR 412 HD2 -0.16 -0.05 -0.20 -0.04 7.15 6.70 2j63B1 TYR 412 HE2 -0.09 -0.00 -0.11 -0.04 6.85 6.61 2j63B1 PHE 413 H 0.13 0.15 0.12 -0.55 8.34 8.19 2j63B1 PHE 413 HA 0.07 0.26 0.54 -0.75 4.62 4.73 2j63B1 PHE 413 HB2 0.13 -0.09 0.14 -0.04 3.15 3.30 2j63B1 PHE 413 HB3 0.15 0.08 -0.06 -0.04 3.06 3.18 2j63B1 PHE 413 HD2 0.11 -0.02 -0.19 -0.04 7.28 7.14 2j63B1 PHE 413 HE2 0.19 -0.00 -0.41 -0.04 7.38 7.11 2j63B1 PHE 413 HZ 0.21 -0.03 -0.35 -0.04 7.32 7.11 2j63B1 VAL 414 H 0.20 0.97 0.17 -0.55 8.24 9.03 2j63B1 VAL 414 HA 0.26 0.25 0.98 -0.75 4.13 4.86 2j63B1 VAL 414 HB 0.50 0.03 0.09 -0.04 2.12 2.70 2j63B1 VAL 414 HG13 0.52 -0.01 -0.37 -0.04 0.97 1.07 2j63B1 VAL 414 HG23 0.16 -0.04 -0.18 -0.04 0.95 0.85 2j63B1 VAL 415 H 0.17 0.66 0.32 -0.55 8.24 8.84 2j63B1 VAL 415 HA 0.03 0.28 0.86 -0.75 4.13 4.54 2j63B1 VAL 415 HB 0.15 -0.02 0.04 -0.04 2.12 2.25 2j63B1 VAL 415 HG13 0.07 0.01 -0.22 -0.04 0.97 0.80 2j63B1 VAL 415 HG23 0.17 0.00 -0.21 -0.04 0.95 0.87 2j63B1 SER 416 H -0.51 0.51 0.35 -0.55 8.46 8.26 2j63B1 SER 416 HA -0.38 0.23 0.68 -0.75 4.49 4.27 2j63B1 SER 416 HB2 -0.19 0.03 0.26 -0.04 3.95 4.01 2j63B1 SER 416 HB3 -0.15 0.01 0.21 -0.04 3.93 3.96 2j63B1 SER 417 H -0.04 0.79 0.49 -0.55 8.46 9.15 2j63B1 SER 417 HA 0.02 0.02 0.45 -0.75 4.49 4.22 2j63B1 SER 417 HB2 0.02 0.02 0.17 -0.04 3.95 4.11 2j63B1 SER 417 HB3 0.03 -0.02 0.01 -0.04 3.93 3.91 2j63B1 ARG 418 H 0.01 0.12 -0.12 -0.55 8.46 7.92 2j63B1 ARG 418 HA 0.08 0.10 0.47 -0.75 4.34 4.23 2j63B1 ARG 418 HB2 0.08 -0.03 0.22 -0.04 1.90 2.13 2j63B1 ARG 418 HB3 0.04 -0.07 0.17 -0.04 1.80 1.90 2j63B1 ARG 418 HG2 0.03 -0.05 0.12 -0.04 1.67 1.73 2j63B1 ARG 418 HG3 0.09 0.31 0.08 -0.04 1.67 2.12 2j63B1 ARG 418 HD2 0.09 0.11 0.07 -0.04 3.22 3.46 2j63B1 ARG 418 HD3 0.07 -0.08 0.09 -0.04 3.22 3.26 2j63B1 LEU 419 H 0.04 0.39 -0.49 -0.55 8.37 7.76 2j63B1 LEU 419 HA 0.20 0.23 0.76 -0.75 4.35 4.78 2j63B1 LEU 419 HB2 0.03 0.08 -0.02 -0.04 1.64 1.69 2j63B1 LEU 419 HB3 0.09 -0.06 -0.06 -0.04 1.64 1.57 2j63B1 LEU 419 HG -0.01 0.12 -0.18 -0.04 1.64 1.53 2j63B1 LEU 419 HD13 0.01 -0.02 -0.25 -0.04 0.93 0.62 2j63B1 LEU 419 HD23 -0.09 0.04 -0.23 -0.04 0.89 0.57 2j63B1 ALA 420 H 0.09 0.39 -0.12 -0.55 8.40 8.22 2j63B1 ALA 420 HA 0.12 -0.02 0.31 -0.75 4.34 4.00 2j63B1 ALA 420 HB3 0.06 0.02 0.09 -0.04 1.41 1.54 2j63B1 SER 421 H 0.08 0.20 -0.19 -0.55 8.46 8.01 2j63B1 SER 421 HA -0.00 0.05 0.35 -0.75 4.49 4.14 2j63B1 SER 421 HB2 -0.14 -0.03 0.01 -0.04 3.95 3.76 2j63B1 SER 421 HB3 -0.03 -0.04 0.06 -0.04 3.93 3.88 2j63B1 TYR 422 H 0.28 0.32 -0.51 -0.55 8.29 7.84 2j63B1 TYR 422 HA 0.04 0.05 0.48 -0.75 4.56 4.37 2j63B1 TYR 422 HB2 0.08 0.19 0.07 -0.04 3.06 3.36 2j63B1 TYR 422 HB3 0.07 0.02 0.13 -0.04 2.98 3.16 2j63B1 TYR 422 HD2 0.03 0.02 -0.07 -0.04 7.15 7.10 2j63B1 TYR 422 HE2 0.02 0.03 -0.16 -0.04 6.85 6.70 2j63B1 VAL 423 H 0.15 0.49 -0.31 -0.55 8.24 8.02 2j63B1 VAL 423 HA 0.21 0.14 0.78 -0.75 4.13 4.51 2j63B1 VAL 423 HB 0.13 0.09 0.13 -0.04 2.12 2.44 2j63B1 VAL 423 HG13 0.16 -0.04 -0.14 -0.04 0.97 0.90 2j63B1 VAL 423 HG23 0.18 0.01 -0.04 -0.04 0.95 1.06 2j63B1 VAL 424 H 0.27 0.38 0.29 -0.55 8.24 8.63 2j63B1 VAL 424 HA 0.14 0.16 0.43 -0.75 4.13 4.10 2j63B1 VAL 424 HB 0.53 -0.10 0.05 -0.04 2.12 2.56 2j63B1 VAL 424 HG13 0.31 -0.01 -0.13 -0.04 0.97 1.10 2j63B1 VAL 424 HG23 0.16 0.03 -0.04 -0.04 0.95 1.05 2j63B1 ASP 425 H 0.24 0.17 0.23 -0.55 8.40 8.50 2j63B1 ASP 425 HA 0.13 0.20 0.44 -0.75 4.63 4.65 2j63B1 ASP 425 HB2 -0.06 0.06 -0.32 -0.04 2.71 2.35 2j63B1 ASP 425 HB3 -0.32 -0.05 -0.14 -0.04 2.70 2.16 2j63B1 CYS 426 H 0.40 0.25 0.08 -0.55 8.50 8.69 2j63B1 CYS 426 HA -0.02 0.33 0.89 -0.75 4.58 5.02 2j63B1 CYS 426 HB2 0.23 0.05 -0.21 -0.04 2.97 2.99 2j63B1 CYS 426 HB3 0.49 -0.02 0.05 -0.04 2.97 3.45 2j63B1 PHE 427 H -0.49 0.61 0.31 -0.55 8.34 8.21 2j63B1 PHE 427 HA 0.06 0.16 0.91 -0.75 4.62 4.99 2j63B1 PHE 427 HB2 0.03 0.15 0.08 -0.04 3.15 3.37 2j63B1 PHE 427 HB3 0.16 -0.04 -0.14 -0.04 3.06 3.01 2j63B1 PHE 427 HD2 -0.16 0.09 -0.27 -0.04 7.28 6.90 2j63B1 PHE 427 HE2 -0.76 -0.00 -0.20 -0.04 7.38 6.37 2j63B1 PHE 427 HZ -0.17 0.03 -0.17 -0.04 7.32 6.96 2j63B1 PRO 428 HA -1.06 0.16 0.90 -0.51 4.44 3.93 2j63B1 PRO 428 HB2 -0.24 0.04 0.08 -0.04 2.28 2.12 2j63B1 PRO 428 HB3 -0.86 0.01 0.09 -0.04 2.02 1.22 2j63B1 PRO 428 HG2 -0.22 0.02 0.04 -0.04 2.03 1.83 2j63B1 PRO 428 HG3 -0.51 0.03 0.06 -0.04 2.03 1.57 2j63B1 PRO 428 HD2 -0.25 0.08 0.25 -0.04 3.68 3.71 2j63B1 PRO 428 HD3 -0.83 0.13 0.17 -0.04 3.65 3.08 2j63B1 MET 429 H -0.15 0.51 0.12 -0.55 8.47 8.40 2j63B1 MET 429 HA 0.03 0.17 0.82 -0.75 4.52 4.79 2j63B1 MET 429 HB2 -0.11 0.02 0.19 -0.04 2.15 2.21 2j63B1 MET 429 HB3 0.01 -0.04 0.07 -0.04 2.03 2.03 2j63B1 MET 429 HG2 0.10 0.09 -0.36 -0.04 2.63 2.42 2j63B1 MET 429 HG3 -0.11 0.02 -0.40 -0.04 2.56 2.03 2j63B1 MET 429 HE3 0.13 0.00 -0.08 -0.04 2.10 2.12 2j63B1 PRO 430 HA 0.12 0.09 0.13 -0.51 4.44 4.27 2j63B1 PRO 430 HB2 -0.02 0.03 -0.07 -0.04 2.28 2.18 2j63B1 PRO 430 HB3 0.10 0.04 0.05 -0.04 2.02 2.16 2j63B1 PRO 430 HG2 0.06 0.06 0.01 -0.04 2.03 2.12 2j63B1 PRO 430 HG3 0.08 0.05 -0.00 -0.04 2.03 2.11 2j63B1 PRO 430 HD2 0.03 0.07 0.05 -0.04 3.68 3.79 2j63B1 PRO 430 HD3 0.02 0.31 -0.34 -0.04 3.65 3.60 2j63B1 THR 431 H -0.02 0.08 -0.37 -0.55 8.28 7.42 2j63B1 THR 431 HA -0.07 0.17 0.62 -0.75 4.39 4.36 2j63B1 THR 431 HB -0.03 -0.01 0.11 -0.04 4.32 4.34 2j63B1 THR 431 HG23 -0.03 -0.00 -0.04 -0.04 1.22 1.11 2j63B1 VAL 432 H -0.08 0.42 -0.19 -0.55 8.24 7.85 2j63B1 VAL 432 HA -0.07 0.04 0.75 -0.75 4.13 4.09 2j63B1 VAL 432 HB -0.38 0.10 0.21 -0.04 2.12 2.00 2j63B1 VAL 432 HG13 -0.74 -0.01 -0.10 -0.04 0.97 0.09 2j63B1 VAL 432 HG23 -0.02 -0.03 -0.04 -0.04 0.95 0.82 2j63B1 MET 433 H 0.00 0.11 0.18 -0.55 8.47 8.21 2j63B1 MET 433 HA 0.09 0.18 0.51 -0.75 4.52 4.54 2j63B1 MET 433 HB2 0.04 -0.02 0.03 -0.04 2.15 2.16 2j63B1 MET 433 HB3 0.03 -0.08 0.08 -0.04 2.03 2.02 2j63B1 MET 433 HG2 -0.02 0.20 -0.04 -0.04 2.63 2.73 2j63B1 MET 433 HG3 -0.02 -0.05 -0.01 -0.04 2.56 2.44 2j63B1 MET 433 HE3 -0.11 0.05 -0.04 -0.04 2.10 1.96 2j63B1 GLY 434 H 0.12 0.16 0.14 -0.55 8.43 8.30 2j63B1 GLY 434 HA2 0.08 -0.02 0.31 -0.51 4.01 3.87 2j63B1 GLY 434 HA3 0.17 0.19 0.83 -0.51 4.01 4.70 2j63B1 SER 435 H 0.27 0.25 0.06 -0.55 8.46 8.50 2j63B1 SER 435 HA 0.05 0.19 0.80 -0.75 4.49 4.78 2j63B1 SER 435 HB2 -0.19 0.06 -0.07 -0.04 3.95 3.70 2j63B1 SER 435 HB3 0.44 0.27 0.04 -0.04 3.93 4.63 2j63B1 ASP 436 H 0.16 0.12 0.12 -0.55 8.40 8.26 2j63B1 ASP 436 HA 0.18 0.19 0.83 -0.75 4.63 5.07 2j63B1 ASP 436 HB2 0.06 0.06 0.17 -0.04 2.71 2.97 2j63B1 ASP 436 HB3 0.11 0.00 0.15 -0.04 2.70 2.92 2j63B1 HIS 437 H 0.41 0.08 -0.11 -0.55 8.41 8.25 2j63B1 HIS 437 HA 0.35 0.28 1.11 -0.75 4.63 5.62 2j63B1 HIS 437 HB2 0.22 0.30 0.16 -0.04 3.26 3.90 2j63B1 HIS 437 HB3 0.28 0.07 0.09 -0.04 3.20 3.60 2j63B1 HIS 437 HD2 0.06 -0.04 -0.09 -0.04 6.97 6.85 2j63B1 HIS 437 HE1 -0.35 -0.07 -0.08 -0.04 7.75 7.21 2j63B1 CYS 438 H 0.41 0.49 0.26 -0.55 8.50 9.11 2j63B1 CYS 438 HA 0.17 0.29 0.86 -0.75 4.58 5.15 2j63B1 CYS 438 HB2 0.07 0.20 0.05 -0.04 2.97 3.25 2j63B1 CYS 438 HB3 0.56 -0.05 -0.04 -0.04 2.97 3.41 2j63B1 PRO 439 HA 0.01 0.16 0.67 -0.51 4.44 4.77 2j63B1 PRO 439 HB2 -0.18 -0.02 -0.07 -0.04 2.28 1.97 2j63B1 PRO 439 HB3 -0.26 0.04 0.01 -0.04 2.02 1.78 2j63B1 PRO 439 HG2 -0.88 0.02 0.04 -0.04 2.03 1.17 2j63B1 PRO 439 HG3 -2.41 0.01 -0.01 -0.04 2.03 -0.42 2j63B1 PRO 439 HD2 -0.40 0.21 0.27 -0.04 3.68 3.72 2j63B1 PRO 439 HD3 -0.96 0.25 0.23 -0.04 3.65 3.12 2j63B1 PHE 440 H 0.20 0.53 0.40 -0.55 8.34 8.93 2j63B1 PHE 440 HA -0.04 0.16 0.88 -0.75 4.62 4.86 2j63B1 PHE 440 HB2 -0.06 -0.06 -0.02 -0.04 3.15 2.97 2j63B1 PHE 440 HB3 0.12 -0.04 -0.10 -0.04 3.06 2.99 2j63B1 PHE 440 HD2 -0.02 0.02 -0.13 -0.04 7.28 7.12 2j63B1 PHE 440 HE2 -0.30 -0.00 -0.22 -0.04 7.38 6.81 2j63B1 PHE 440 HZ -1.73 0.02 -0.09 -0.04 7.32 5.48 2j63B1 GLN 441 H -0.33 0.82 0.35 -0.55 8.47 8.76 2j63B1 GLN 441 HA 0.11 0.27 1.16 -0.75 4.36 5.14 2j63B1 GLN 441 HB2 -0.18 -0.04 -0.12 -0.04 2.15 1.77 2j63B1 GLN 441 HB3 -1.25 -0.03 -0.03 -0.04 2.02 0.67 2j63B1 GLN 441 HG2 -0.08 -0.01 -0.09 -0.04 2.40 2.17 2j63B1 GLN 441 HG3 0.05 0.06 -0.03 -0.04 2.39 2.44 2j63B1 GLN 441 HE21 0.10 0.04 -0.09 -0.04 6.97 6.98 2j63B1 GLN 441 HE22 0.07 -0.03 -0.12 -0.04 7.69 7.57 2j63B1 MET 442 H -0.06 0.58 0.38 -0.55 8.47 8.82 2j63B1 MET 442 HA -0.19 0.25 0.99 -0.75 4.52 4.81 2j63B1 MET 442 HB2 -1.09 -0.06 -0.21 -0.04 2.15 0.74 2j63B1 MET 442 HB3 -0.63 -0.03 0.03 -0.04 2.03 1.37 2j63B1 MET 442 HG2 0.06 0.15 -0.11 -0.04 2.63 2.68 2j63B1 MET 442 HG3 -0.13 -0.04 -0.01 -0.04 2.56 2.34 2j63B1 MET 442 HE3 0.35 0.05 -0.28 -0.04 2.10 2.18 2j63B1 TRP 443 H 0.20 0.58 0.38 -0.55 7.97 8.58 2j63B1 TRP 443 HA 0.12 0.36 1.13 -0.75 4.62 5.48 2j63B1 TRP 443 HB2 0.21 -0.22 0.19 -0.04 3.23 3.37 2j63B1 TRP 443 HB3 0.28 0.07 -0.01 -0.04 3.23 3.53 2j63B1 TRP 443 HD1 -0.03 0.13 -0.42 -0.04 7.22 6.85 2j63B1 TRP 443 HE1 -0.05 0.02 -0.15 -0.04 10.20 9.98 2j63B1 TRP 443 HE3 0.24 0.02 -0.17 -0.04 7.59 7.63 2j63B1 TRP 443 HZ2 0.13 0.01 -0.13 -0.04 7.44 7.41 2j63B1 TRP 443 HZ3 0.15 0.01 -0.26 -0.04 7.13 6.99 2j63B1 TRP 443 HH2 0.10 0.06 -0.22 -0.04 7.19 7.10 2j63B1 MET 444 H 0.21 0.60 0.35 -0.55 8.47 9.08 2j63B1 MET 444 HA 0.24 0.24 1.13 -0.75 4.52 5.37 2j63B1 MET 444 HB2 0.41 -0.11 -0.18 -0.04 2.15 2.24 2j63B1 MET 444 HB3 0.32 -0.04 0.01 -0.04 2.03 2.28 2j63B1 MET 444 HG2 0.24 0.25 -0.07 -0.04 2.63 3.00 2j63B1 MET 444 HG3 0.27 -0.04 -0.16 -0.04 2.56 2.58 2j63B1 MET 444 HE3 0.15 0.03 -0.12 -0.04 2.10 2.11 2j63B1 ARG 445 H 0.17 0.71 0.35 -0.55 8.46 9.13 2j63B1 ARG 445 HA -0.12 0.20 0.78 -0.75 4.34 4.45 2j63B1 ARG 445 HB2 0.14 0.06 0.22 -0.04 1.90 2.28 2j63B1 ARG 445 HB3 0.03 -0.01 0.02 -0.04 1.80 1.80 2j63B1 ARG 445 HG2 -0.07 0.01 0.07 -0.04 1.67 1.64 2j63B1 ARG 445 HG3 0.04 -0.07 0.05 -0.04 1.67 1.65 2j63B1 ARG 445 HD2 -0.04 -0.03 -0.00 -0.04 3.22 3.11 2j63B1 ARG 445 HD3 -0.01 -0.06 -0.01 -0.04 3.22 3.09 2j63B1 HIS 446 H -0.42 0.62 0.36 -0.55 8.41 8.43 2j63B1 HIS 446 HA -0.03 0.10 0.59 -0.75 4.63 4.53 2j63B1 HIS 446 HB2 -0.11 -0.01 0.02 -0.04 3.26 3.13 2j63B1 HIS 446 HB3 -0.36 0.02 -0.23 -0.04 3.20 2.59 2j63B1 HIS 446 HD2 -1.20 -0.09 -0.45 -0.04 6.97 5.19 2j63B1 HIS 446 HE1 -0.07 0.04 -0.07 -0.04 7.75 7.60 2j63B1 PRO 447 HA -0.01 0.14 0.30 -0.51 4.44 4.36 2j63B1 PRO 447 HB2 0.05 0.01 0.07 -0.04 2.28 2.37 2j63B1 PRO 447 HB3 0.07 0.02 -0.00 -0.04 2.02 2.07 2j63B1 PRO 447 HG2 0.04 0.04 0.08 -0.04 2.03 2.15 2j63B1 PRO 447 HG3 0.07 0.06 0.05 -0.04 2.03 2.16 2j63B1 PRO 447 HD2 0.11 0.13 0.11 -0.04 3.68 3.99 2j63B1 PRO 447 HD3 0.06 0.17 0.20 -0.04 3.65 4.04