============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. HIS 19 0.900 54.933 49.783 8.142 -99.200 -91.000 TYR 29 0.840 54.221 54.870 5.160 -99.200 -91.000 PHE 30 1.000 59.991 62.068 4.958 -99.200 -91.000 PHE 32 1.000 61.435 61.126 12.166 -99.200 -91.000 TYR 33 0.840 66.553 54.422 13.808 -99.200 -91.000 HIS 55 0.900 43.466 80.472 12.554 -99.200 -91.000 PHE 62 1.000 55.844 61.484 17.115 -99.200 -91.000 TYR 69 0.840 43.530 46.191 12.309 -99.200 -91.000 TYR 70 0.840 38.021 40.834 16.209 -99.200 -91.000 HIS 75 0.900 41.356 56.920 17.685 -99.200 -91.000 HIS 76 0.900 43.107 51.279 23.557 -99.200 -91.000 PHE 78 1.000 52.737 54.139 21.556 -99.200 -91.000 PHE 97 1.000 51.359 79.290 11.054 -99.200 -91.000 PHE 99 1.000 56.425 70.169 12.952 -99.200 -91.000 PHE 101 1.000 55.712 68.050 18.494 -99.200 -91.000 HIS 103 0.900 65.409 65.402 25.398 -99.200 -91.000 TYR 108 0.840 55.562 50.446 23.287 -99.200 -91.000 TYR 111 0.840 52.594 43.691 13.706 -99.200 -91.000 TYR 120 0.840 55.646 55.555 17.135 -99.200 -91.000 PHE 121 1.000 48.436 59.898 14.109 -99.200 -91.000 HIS 141 0.900 62.655 50.241 10.887 -99.200 -91.000 TYR 146 0.840 68.856 39.989 21.877 -99.200 -91.000 HIS 163 0.900 66.937 10.730 16.632 -99.200 -91.000 PHE 166 1.000 66.495 23.194 11.179 -99.200 -91.000 TYR 168 0.840 67.296 26.277 15.028 -99.200 -91.000 TYR 173 0.840 68.953 32.554 13.487 -99.200 -91.000 HIS 174 0.900 71.607 40.481 11.754 -99.200 -91.000 TYR 184 0.840 73.165 16.470 11.063 -99.200 -91.000 PHE 185 1.000 66.877 13.435 6.003 -99.200 -91.000 HIS 194 0.900 56.764 18.820 0.934 -99.200 -91.000 TYR 211 0.840 39.510 38.886 19.216 -99.200 -91.000 HIS 212 0.900 45.376 33.049 20.618 -99.200 -91.000 TYR 220 0.840 65.360 25.685 2.655 -99.200 -91.000 PHE 237 1.000 71.053 32.917 1.912 -99.200 -91.000 TYR 241 0.840 61.629 34.366 3.308 -99.200 -91.000 PHE 253 1.000 51.182 44.948 19.161 -99.200 -91.000 TYR 257 0.840 58.358 37.159 13.282 -99.200 -91.000 TYR 258 0.840 56.242 30.420 17.692 -99.200 -91.000 TYR 271 0.840 54.569 11.727 10.972 -99.200 -91.000 PHE 272 1.000 51.687 20.129 11.304 -99.200 -91.000 TRP 280 1.040 68.735 39.925 17.517 -99.200 -91.000 TRP6 280 1.020 70.655 41.285 17.205 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r51A1 SER 9 HA 0.01 -0.10 0.22 -0.75 4.49 3.87 2r51A1 SER 9 HB2 0.01 0.01 0.05 -0.04 3.95 3.98 2r51A1 SER 9 HB3 0.02 0.02 -0.06 -0.04 3.93 3.87 2r51A1 VAL 10 H 0.02 0.29 0.06 -0.55 8.24 8.06 2r51A1 VAL 10 HA 0.03 0.26 0.69 -0.75 4.13 4.35 2r51A1 VAL 10 HB 0.02 -0.03 -0.02 -0.04 2.12 2.05 2r51A1 VAL 10 HG13 0.04 -0.00 -0.14 -0.04 0.97 0.82 2r51A1 VAL 10 HG23 0.03 0.02 -0.21 -0.04 0.95 0.75 2r51A1 GLU 11 H 0.02 0.55 0.20 -0.55 8.60 8.83 2r51A1 GLU 11 HA 0.02 0.13 0.83 -0.75 4.29 4.51 2r51A1 GLU 11 HB2 0.02 0.02 0.04 -0.04 2.09 2.13 2r51A1 GLU 11 HB3 0.02 -0.04 0.13 -0.04 1.99 2.06 2r51A1 GLU 11 HG2 0.03 0.06 -0.34 -0.04 2.34 2.05 2r51A1 GLU 11 HG3 0.02 0.02 -0.02 -0.04 2.34 2.32 2r51A1 VAL 12 H 0.03 0.22 0.12 -0.55 8.24 8.05 2r51A1 VAL 12 HA 0.05 0.34 0.96 -0.75 4.13 4.73 2r51A1 VAL 12 HB 0.03 -0.01 0.02 -0.04 2.12 2.11 2r51A1 VAL 12 HG13 0.04 -0.01 -0.24 -0.04 0.97 0.72 2r51A1 VAL 12 HG23 0.02 0.02 -0.23 -0.04 0.95 0.72 2r51A1 GLU 13 H 0.06 0.60 0.29 -0.55 8.60 9.00 2r51A1 GLU 13 HA 0.07 0.21 0.95 -0.75 4.29 4.76 2r51A1 GLU 13 HB2 0.06 -0.06 0.02 -0.04 2.09 2.08 2r51A1 GLU 13 HB3 0.07 0.03 -0.05 -0.04 1.99 2.00 2r51A1 GLU 13 HG2 0.04 -0.03 -0.35 -0.04 2.34 1.96 2r51A1 GLU 13 HG3 0.05 -0.02 -0.11 -0.04 2.34 2.22 2r51A1 ILE 14 H 0.11 0.26 0.11 -0.55 8.25 8.17 2r51A1 ILE 14 HA 0.17 0.19 0.95 -0.75 4.18 4.74 2r51A1 ILE 14 HB 0.15 0.04 0.09 -0.04 1.89 2.13 2r51A1 ILE 14 HG12 0.08 -0.01 -0.11 -0.04 1.49 1.41 2r51A1 ILE 14 HG13 0.08 -0.04 -0.27 -0.04 1.21 0.93 2r51A1 ILE 14 HG23 0.24 -0.01 -0.22 -0.04 0.93 0.89 2r51A1 ILE 14 HD13 0.07 -0.02 -0.16 -0.04 0.88 0.73 2r51A1 LEU 15 H 0.16 0.66 0.22 -0.55 8.37 8.87 2r51A1 LEU 15 HA 0.09 0.16 0.92 -0.75 4.35 4.77 2r51A1 LEU 15 HB2 0.04 -0.07 0.10 -0.04 1.64 1.67 2r51A1 LEU 15 HB3 0.04 0.02 0.01 -0.04 1.64 1.67 2r51A1 LEU 15 HG 0.08 -0.06 -0.36 -0.04 1.64 1.27 2r51A1 LEU 15 HD13 0.04 -0.01 -0.10 -0.04 0.93 0.83 2r51A1 LEU 15 HD23 0.07 0.04 -0.13 -0.04 0.89 0.84 2r51A1 LEU 16 H -0.04 0.17 0.14 -0.55 8.37 8.09 2r51A1 LEU 16 HA -0.08 0.18 0.81 -0.75 4.35 4.50 2r51A1 LEU 16 HB2 -0.44 -0.07 0.08 -0.04 1.64 1.18 2r51A1 LEU 16 HB3 -0.15 0.15 0.03 -0.04 1.64 1.63 2r51A1 LEU 16 HG -0.03 -0.03 -0.05 -0.04 1.64 1.49 2r51A1 LEU 16 HD13 -0.25 0.02 -0.01 -0.04 0.93 0.65 2r51A1 LEU 16 HD23 0.16 -0.01 -0.11 -0.04 0.89 0.88 2r51A1 ASN 17 H -0.14 0.49 0.18 -0.55 8.53 8.51 2r51A1 ASN 17 HA -0.08 -0.00 0.47 -0.75 4.76 4.40 2r51A1 ASN 17 HB2 -0.10 0.04 0.01 -0.04 2.88 2.80 2r51A1 ASN 17 HB3 -0.07 -0.00 -0.03 -0.04 2.79 2.65 2r51A1 ASN 17 HD21 -0.15 0.04 -0.03 -0.04 7.03 6.86 2r51A1 ASN 17 HD22 -0.12 -0.00 -0.06 -0.04 7.74 7.52 2r51A1 ASP 18 H -0.05 0.11 0.16 -0.55 8.40 8.07 2r51A1 ASP 18 HA -0.03 -0.05 0.35 -0.75 4.63 4.14 2r51A1 ASP 18 HB2 -0.05 0.09 -0.21 -0.04 2.71 2.50 2r51A1 ASP 18 HB3 -0.04 -0.02 0.25 -0.04 2.70 2.84 2r51A1 ALA 19 H -0.07 0.31 -0.21 -0.55 8.40 7.88 2r51A1 ALA 19 HA -0.33 0.12 0.47 -0.75 4.34 3.84 2r51A1 ALA 19 HB3 0.05 0.01 0.10 -0.04 1.41 1.53 2r51A1 GLU 20 H 0.04 0.00 -0.13 -0.55 8.60 7.97 2r51A1 GLU 20 HA 0.12 0.14 0.12 -0.75 4.29 3.92 2r51A1 GLU 20 HB2 0.05 0.05 0.06 -0.04 2.09 2.21 2r51A1 GLU 20 HB3 0.05 -0.04 0.06 -0.04 1.99 2.03 2r51A1 GLU 20 HG2 0.02 0.07 -0.19 -0.04 2.34 2.20 2r51A1 GLU 20 HG3 0.02 0.02 -0.04 -0.04 2.34 2.30 2r51A1 SER 21 H 0.03 -0.05 -0.39 -0.55 8.46 7.50 2r51A1 SER 21 HA 0.03 0.15 0.73 -0.75 4.49 4.65 2r51A1 SER 21 HB2 0.01 -0.00 0.03 -0.04 3.95 3.94 2r51A1 SER 21 HB3 0.01 -0.10 0.01 -0.04 3.93 3.81 2r51A1 ARG 22 H 0.02 0.35 -0.02 -0.55 8.46 8.26 2r51A1 ARG 22 HA -0.01 -0.10 0.41 -0.75 4.34 3.89 2r51A1 ARG 22 HB2 -0.11 -0.07 0.15 -0.04 1.90 1.83 2r51A1 ARG 22 HB3 -0.06 0.17 0.22 -0.04 1.80 2.08 2r51A1 ARG 22 HG2 0.33 -0.04 -0.13 -0.04 1.67 1.79 2r51A1 ARG 22 HG3 -0.01 0.10 -0.11 -0.04 1.67 1.60 2r51A1 ARG 22 HD2 -0.35 -0.02 0.01 -0.04 3.22 2.82 2r51A1 ARG 22 HD3 -0.27 -0.10 -0.02 -0.04 3.22 2.79 2r51A1 LYS 23 H -0.00 0.03 0.21 -0.55 8.42 8.10 2r51A1 LYS 23 HA 0.04 0.07 0.50 -0.75 4.32 4.17 2r51A1 LYS 23 HB2 0.03 0.04 0.01 -0.04 1.87 1.90 2r51A1 LYS 23 HB3 0.04 0.00 0.15 -0.04 1.79 1.94 2r51A1 LYS 23 HG2 -0.06 0.05 0.20 -0.04 1.46 1.60 2r51A1 LYS 23 HG3 0.06 -0.01 0.02 -0.04 1.46 1.49 2r51A1 LYS 23 HD2 0.05 -0.02 0.06 -0.04 1.69 1.73 2r51A1 LYS 23 HD3 0.02 0.02 0.10 -0.04 1.68 1.78 2r51A1 LYS 23 HE2 -0.03 -0.08 0.21 -0.04 2.99 3.06 2r51A1 LYS 23 HE3 -0.12 0.06 0.16 -0.04 2.99 3.06 2r51A1 ARG 24 H 0.03 0.18 0.23 -0.55 8.46 8.34 2r51A1 ARG 24 HA 0.01 0.23 0.91 -0.75 4.34 4.74 2r51A1 ARG 24 HB2 -0.04 -0.04 0.04 -0.04 1.90 1.81 2r51A1 ARG 24 HB3 -0.10 -0.05 -0.12 -0.04 1.80 1.48 2r51A1 ARG 24 HG2 -0.40 -0.07 -0.33 -0.04 1.67 0.83 2r51A1 ARG 24 HG3 -0.00 0.18 -0.37 -0.04 1.67 1.43 2r51A1 ARG 24 HD2 -0.23 0.06 -0.11 -0.04 3.22 2.90 2r51A1 ARG 24 HD3 -0.10 -0.02 -0.08 -0.04 3.22 2.97 2r51A1 ALA 25 H 0.04 0.73 0.29 -0.55 8.40 8.92 2r51A1 ALA 25 HA 0.08 0.13 0.98 -0.75 4.34 4.78 2r51A1 ALA 25 HB3 0.07 0.02 -0.01 -0.04 1.41 1.45 2r51A1 GLU 26 H 0.12 0.11 0.14 -0.55 8.60 8.42 2r51A1 GLU 26 HA 0.11 0.23 0.64 -0.75 4.29 4.51 2r51A1 GLU 26 HB2 0.06 -0.02 0.06 -0.04 2.09 2.14 2r51A1 GLU 26 HB3 0.10 0.01 -0.01 -0.04 1.99 2.05 2r51A1 GLU 26 HG2 0.06 -0.01 -0.13 -0.04 2.34 2.22 2r51A1 GLU 26 HG3 0.07 0.02 -0.05 -0.04 2.34 2.34 2r51A1 HIS 27 H 0.22 0.36 0.28 -0.55 8.41 8.73 2r51A1 HIS 27 HA 0.14 0.09 0.71 -0.75 4.63 4.82 2r51A1 HIS 27 HB2 0.28 0.06 -0.37 -0.04 3.26 3.19 2r51A1 HIS 27 HB3 0.43 -0.03 -0.06 -0.04 3.20 3.50 2r51A1 HIS 27 HD2 -0.05 -0.06 -0.26 -0.04 6.97 6.55 2r51A1 HIS 27 HE1 0.13 0.02 -0.21 -0.04 7.75 7.65 2r51A1 LYS 28 H -0.25 0.18 0.08 -0.55 8.42 7.88 2r51A1 LYS 28 HA 0.01 0.12 0.63 -0.75 4.32 4.32 2r51A1 LYS 28 HB2 -0.06 -0.05 0.09 -0.04 1.87 1.80 2r51A1 LYS 28 HB3 -0.10 0.07 0.06 -0.04 1.79 1.78 2r51A1 LYS 28 HG2 -0.01 0.05 -0.24 -0.04 1.46 1.23 2r51A1 LYS 28 HG3 0.00 -0.06 -0.10 -0.04 1.46 1.26 2r51A1 LYS 28 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.60 2r51A1 LYS 28 HD3 -0.01 0.01 -0.03 -0.04 1.68 1.60 2r51A1 LYS 28 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.92 2r51A1 LYS 28 HE3 0.02 -0.02 0.01 -0.04 2.99 2.96 2r51A1 THR 29 H 0.06 0.71 0.18 -0.55 8.28 8.69 2r51A1 THR 29 HA 0.07 0.12 0.42 -0.75 4.39 4.25 2r51A1 THR 29 HB 0.07 -0.16 0.15 -0.04 4.32 4.34 2r51A1 THR 29 HG23 0.25 0.05 -0.03 -0.04 1.22 1.44 2r51A1 GLU 30 H 0.02 0.12 0.10 -0.55 8.60 8.29 2r51A1 GLU 30 HA -0.00 0.20 0.32 -0.75 4.29 4.05 2r51A1 GLU 30 HB2 -0.03 -0.04 0.11 -0.04 2.09 2.08 2r51A1 GLU 30 HB3 -0.07 0.03 -0.07 -0.04 1.99 1.84 2r51A1 GLU 30 HG2 0.01 0.10 0.01 -0.04 2.34 2.41 2r51A1 GLU 30 HG3 0.01 -0.02 -0.01 -0.04 2.34 2.29 2r51A1 ASP 31 H -0.01 0.04 -0.15 -0.55 8.40 7.74 2r51A1 ASP 31 HA -0.02 0.23 0.74 -0.75 4.63 4.82 2r51A1 ASP 31 HB2 -0.01 0.04 0.17 -0.04 2.71 2.87 2r51A1 ASP 31 HB3 -0.02 0.01 0.05 -0.04 2.70 2.70 2r51A1 GLY 32 H -0.01 0.40 -0.58 -0.55 8.43 7.69 2r51A1 GLY 32 HA2 -0.00 0.09 0.21 -0.51 4.01 3.79 2r51A1 GLY 32 HA3 -0.00 0.09 0.38 -0.51 4.01 3.97 2r51A1 LYS 33 H 0.01 -0.04 -0.51 -0.55 8.42 7.33 2r51A1 LYS 33 HA 0.01 0.14 0.61 -0.75 4.32 4.32 2r51A1 LYS 33 HB2 0.01 -0.08 -0.03 -0.04 1.87 1.73 2r51A1 LYS 33 HB3 0.02 0.05 -0.15 -0.04 1.79 1.66 2r51A1 LYS 33 HG2 0.00 -0.01 -0.02 -0.04 1.46 1.39 2r51A1 LYS 33 HG3 0.00 0.01 0.04 -0.04 1.46 1.48 2r51A1 LYS 33 HD2 0.00 0.05 -0.12 -0.04 1.69 1.57 2r51A1 LYS 33 HD3 -0.00 0.01 -0.06 -0.04 1.68 1.59 2r51A1 LYS 33 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.92 2r51A1 LYS 33 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.94 2r51A1 LYS 34 H 0.01 0.15 0.19 -0.55 8.42 8.22 2r51A1 LYS 34 HA 0.06 0.30 0.85 -0.75 4.32 4.78 2r51A1 LYS 34 HB2 0.01 -0.03 0.10 -0.04 1.87 1.91 2r51A1 LYS 34 HB3 0.04 -0.01 -0.04 -0.04 1.79 1.74 2r51A1 LYS 34 HG2 0.02 0.01 -0.12 -0.04 1.46 1.33 2r51A1 LYS 34 HG3 0.02 0.02 0.01 -0.04 1.46 1.47 2r51A1 LYS 34 HD2 0.02 0.03 0.01 -0.04 1.69 1.70 2r51A1 LYS 34 HD3 0.01 -0.03 0.01 -0.04 1.68 1.63 2r51A1 LYS 34 HE2 0.03 -0.03 -0.07 -0.04 2.99 2.88 2r51A1 LYS 34 HE3 0.03 0.00 -0.08 -0.04 2.99 2.90 2r51A1 GLU 35 H 0.11 0.60 0.39 -0.55 8.60 9.16 2r51A1 GLU 35 HA -0.08 0.11 0.67 -0.75 4.29 4.24 2r51A1 GLU 35 HB2 -0.03 -0.03 -0.06 -0.04 2.09 1.93 2r51A1 GLU 35 HB3 -0.50 0.12 -0.03 -0.04 1.99 1.54 2r51A1 GLU 35 HG2 -0.16 -0.00 0.07 -0.04 2.34 2.21 2r51A1 GLU 35 HG3 -0.07 0.14 0.16 -0.04 2.34 2.53 2r51A1 LYS 36 H -0.24 0.12 0.14 -0.55 8.42 7.89 2r51A1 LYS 36 HA -0.07 0.34 0.86 -0.75 4.32 4.69 2r51A1 LYS 36 HB2 -0.16 -0.04 0.08 -0.04 1.87 1.71 2r51A1 LYS 36 HB3 -0.16 0.03 -0.11 -0.04 1.79 1.51 2r51A1 LYS 36 HG2 -0.02 0.01 -0.36 -0.04 1.46 1.05 2r51A1 LYS 36 HG3 -0.04 -0.07 -0.25 -0.04 1.46 1.06 2r51A1 LYS 36 HD2 -0.07 0.01 -0.07 -0.04 1.69 1.52 2r51A1 LYS 36 HD3 -0.03 0.02 -0.11 -0.04 1.68 1.53 2r51A1 LYS 36 HE2 -0.02 -0.01 -0.09 -0.04 2.99 2.83 2r51A1 LYS 36 HE3 -0.05 -0.02 -0.05 -0.04 2.99 2.83 2r51A1 TYR 37 H 0.07 0.58 0.30 -0.55 8.29 8.69 2r51A1 TYR 37 HA -0.13 0.16 0.78 -0.75 4.56 4.62 2r51A1 TYR 37 HB2 -0.00 -0.04 -0.09 -0.04 3.06 2.88 2r51A1 TYR 37 HB3 0.04 0.09 -0.06 -0.04 2.98 3.02 2r51A1 TYR 37 HD2 0.05 0.14 -0.10 -0.04 7.15 7.19 2r51A1 TYR 37 HE2 0.10 0.00 -0.09 -0.04 6.85 6.82 2r51A1 PHE 38 H 0.06 0.18 0.18 -0.55 8.34 8.21 2r51A1 PHE 38 HA 0.05 0.22 0.61 -0.75 4.62 4.75 2r51A1 PHE 38 HB2 0.31 -0.04 0.17 -0.04 3.15 3.55 2r51A1 PHE 38 HB3 0.17 0.05 0.03 -0.04 3.06 3.28 2r51A1 PHE 38 HD2 0.10 0.10 0.01 -0.04 7.28 7.45 2r51A1 PHE 38 HE2 0.06 0.19 0.04 -0.04 7.38 7.64 2r51A1 PHE 38 HZ 0.05 -0.08 -0.01 -0.04 7.32 7.23 2r51A1 LEU 39 H 0.05 0.69 0.34 -0.55 8.37 8.90 2r51A1 LEU 39 HA -0.03 0.20 0.81 -0.75 4.35 4.57 2r51A1 LEU 39 HB2 -0.10 -0.04 -0.14 -0.04 1.64 1.31 2r51A1 LEU 39 HB3 -0.09 -0.02 -0.04 -0.04 1.64 1.45 2r51A1 LEU 39 HG -0.43 -0.03 -0.29 -0.04 1.64 0.85 2r51A1 LEU 39 HD13 -0.78 0.02 -0.12 -0.04 0.93 0.02 2r51A1 LEU 39 HD23 -0.03 -0.02 -0.13 -0.04 0.89 0.67 2r51A1 PHE 40 H -0.02 0.77 0.44 -0.55 8.34 8.97 2r51A1 PHE 40 HA -0.08 0.14 0.94 -0.75 4.62 4.86 2r51A1 PHE 40 HB2 -0.10 -0.00 -0.06 -0.04 3.15 2.95 2r51A1 PHE 40 HB3 -0.07 0.06 -0.01 -0.04 3.06 3.00 2r51A1 PHE 40 HD2 0.01 0.04 -0.25 -0.04 7.28 7.04 2r51A1 PHE 40 HE2 0.05 0.05 -0.04 -0.04 7.38 7.40 2r51A1 PHE 40 HZ -0.04 -0.05 -0.02 -0.04 7.32 7.16 2r51A1 TYR 41 H 0.24 0.16 0.18 -0.55 8.29 8.31 2r51A1 TYR 41 HA 0.07 0.27 1.02 -0.75 4.56 5.16 2r51A1 TYR 41 HB2 0.04 -0.01 0.08 -0.04 3.06 3.13 2r51A1 TYR 41 HB3 0.06 -0.01 0.19 -0.04 2.98 3.17 2r51A1 TYR 41 HD2 0.05 0.03 -0.02 -0.04 7.15 7.17 2r51A1 TYR 41 HE2 0.07 -0.01 -0.13 -0.04 6.85 6.74 2r51A1 ASP 42 H 0.18 0.19 0.19 -0.55 8.40 8.41 2r51A1 ASP 42 HA 0.06 0.01 0.49 -0.75 4.63 4.43 2r51A1 ASP 42 HB2 0.09 0.16 0.17 -0.04 2.71 3.09 2r51A1 ASP 42 HB3 0.08 -0.03 0.08 -0.04 2.70 2.79 2r51A1 GLY 43 H 0.03 0.37 0.15 -0.55 8.43 8.44 2r51A1 GLY 43 HA2 0.05 -0.07 0.07 -0.51 4.01 3.54 2r51A1 GLY 43 HA3 0.05 0.05 0.26 -0.51 4.01 3.86 2r51A1 GLU 44 H 0.09 0.50 -0.51 -0.55 8.60 8.13 2r51A1 GLU 44 HA 0.04 -0.05 0.42 -0.75 4.29 3.95 2r51A1 GLU 44 HB2 0.23 0.11 0.11 -0.04 2.09 2.50 2r51A1 GLU 44 HB3 0.22 0.12 -0.08 -0.04 1.99 2.21 2r51A1 GLU 44 HG2 0.09 -0.03 0.06 -0.04 2.34 2.42 2r51A1 GLU 44 HG3 0.21 0.02 0.07 -0.04 2.34 2.59 2r51A1 THR 45 H 0.02 0.06 0.23 -0.55 8.28 8.03 2r51A1 THR 45 HA -0.01 0.11 0.60 -0.75 4.39 4.34 2r51A1 THR 45 HB 0.01 -0.02 0.15 -0.04 4.32 4.42 2r51A1 THR 45 HG23 -0.00 0.01 -0.21 -0.04 1.22 0.97 2r51A1 VAL 46 H 0.03 0.59 0.31 -0.55 8.24 8.62 2r51A1 VAL 46 HA 0.12 0.15 0.84 -0.75 4.13 4.50 2r51A1 VAL 46 HB -0.05 -0.06 0.13 -0.04 2.12 2.09 2r51A1 VAL 46 HG13 0.14 -0.01 -0.18 -0.04 0.97 0.88 2r51A1 VAL 46 HG23 -0.69 0.05 -0.16 -0.04 0.95 0.11 2r51A1 SER 47 H 0.05 0.28 0.13 -0.55 8.46 8.38 2r51A1 SER 47 HA -0.30 0.26 0.91 -0.75 4.49 4.61 2r51A1 SER 47 HB2 -0.06 0.02 0.03 -0.04 3.95 3.90 2r51A1 SER 47 HB3 -0.17 -0.02 -0.07 -0.04 3.93 3.63 2r51A1 GLY 48 H -0.95 0.67 0.41 -0.55 8.43 8.01 2r51A1 GLY 48 HA2 -0.29 -0.10 0.47 -0.51 4.01 3.58 2r51A1 GLY 48 HA3 -0.44 0.18 0.60 -0.51 4.01 3.85 2r51A1 LYS 49 H -0.03 0.77 0.37 -0.55 8.42 8.97 2r51A1 LYS 49 HA 0.13 0.23 0.74 -0.75 4.32 4.66 2r51A1 LYS 49 HB2 0.06 -0.05 -0.17 -0.04 1.87 1.67 2r51A1 LYS 49 HB3 -0.02 -0.00 -0.14 -0.04 1.79 1.58 2r51A1 LYS 49 HG2 -0.03 -0.03 -0.13 -0.04 1.46 1.23 2r51A1 LYS 49 HG3 0.04 -0.03 -0.06 -0.04 1.46 1.37 2r51A1 LYS 49 HD2 0.00 0.00 -0.13 -0.04 1.69 1.53 2r51A1 LYS 49 HD3 -0.01 -0.02 -0.17 -0.04 1.68 1.45 2r51A1 LYS 49 HE2 -0.03 -0.02 -0.12 -0.04 2.99 2.77 2r51A1 LYS 49 HE3 -0.02 0.01 -0.09 -0.04 2.99 2.85 2r51A1 VAL 50 H 0.32 0.74 0.30 -0.55 8.24 9.04 2r51A1 VAL 50 HA 0.19 0.28 1.06 -0.75 4.13 4.91 2r51A1 VAL 50 HB 0.22 -0.03 0.14 -0.04 2.12 2.42 2r51A1 VAL 50 HG13 0.09 0.01 -0.19 -0.04 0.97 0.83 2r51A1 VAL 50 HG23 0.08 0.01 -0.10 -0.04 0.95 0.90 2r51A1 SER 51 H 0.11 0.54 0.22 -0.55 8.46 8.79 2r51A1 SER 51 HA 0.06 0.17 1.02 -0.75 4.49 4.99 2r51A1 SER 51 HB2 0.06 -0.06 0.09 -0.04 3.95 4.00 2r51A1 SER 51 HB3 0.03 0.07 -0.13 -0.04 3.93 3.86 2r51A1 LEU 52 H 0.07 0.84 0.43 -0.55 8.37 9.16 2r51A1 LEU 52 HA 0.06 0.24 0.90 -0.75 4.35 4.80 2r51A1 LEU 52 HB2 0.12 0.05 0.19 -0.04 1.64 1.97 2r51A1 LEU 52 HB3 0.07 -0.03 -0.07 -0.04 1.64 1.57 2r51A1 LEU 52 HG 0.06 0.02 -0.11 -0.04 1.64 1.56 2r51A1 LEU 52 HD13 0.13 0.02 -0.31 -0.04 0.93 0.73 2r51A1 LEU 52 HD23 0.12 -0.01 -0.10 -0.04 0.89 0.86 2r51A1 SER 53 H 0.04 0.75 0.26 -0.55 8.46 8.96 2r51A1 SER 53 HA 0.02 0.08 0.88 -0.75 4.49 4.71 2r51A1 SER 53 HB2 0.02 -0.02 0.09 -0.04 3.95 4.00 2r51A1 SER 53 HB3 0.02 0.04 -0.05 -0.04 3.93 3.90 2r51A1 LEU 54 H 0.02 0.12 0.04 -0.55 8.37 8.00 2r51A1 LEU 54 HA 0.03 0.26 0.66 -0.75 4.35 4.54 2r51A1 LEU 54 HB2 0.02 -0.08 -0.02 -0.04 1.64 1.51 2r51A1 LEU 54 HB3 0.02 0.06 -0.28 -0.04 1.64 1.40 2r51A1 LEU 54 HG 0.04 0.06 -0.15 -0.04 1.64 1.55 2r51A1 LEU 54 HD13 0.04 -0.04 -0.39 -0.04 0.93 0.49 2r51A1 LEU 54 HD23 0.03 0.04 -0.36 -0.04 0.89 0.55 2r51A1 LYS 55 H 0.02 0.52 0.09 -0.55 8.42 8.50 2r51A1 LYS 55 HA 0.01 0.04 0.37 -0.75 4.32 3.99 2r51A1 LYS 55 HB2 0.01 0.03 0.02 -0.04 1.87 1.89 2r51A1 LYS 55 HB3 0.01 -0.00 0.11 -0.04 1.79 1.86 2r51A1 LYS 55 HG2 0.01 -0.02 -0.17 -0.04 1.46 1.24 2r51A1 LYS 55 HG3 0.01 -0.02 0.03 -0.04 1.46 1.44 2r51A1 LYS 55 HD2 0.01 0.04 -0.01 -0.04 1.69 1.69 2r51A1 LYS 55 HD3 0.01 0.00 -0.01 -0.04 1.68 1.64 2r51A1 LYS 55 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.89 2r51A1 LYS 55 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.93 2r51A1 ASN 56 H 0.01 0.16 -0.16 -0.55 8.53 8.00 2r51A1 ASN 56 HA 0.01 0.25 0.91 -0.75 4.76 5.18 2r51A1 ASN 56 HB2 0.01 0.05 0.01 -0.04 2.88 2.91 2r51A1 ASN 56 HB3 0.01 0.01 0.18 -0.04 2.79 2.95 2r51A1 ASN 56 HD21 0.01 0.00 -0.01 -0.04 7.03 6.99 2r51A1 ASN 56 HD22 0.01 0.15 0.09 -0.04 7.74 7.94 2r51A1 PRO 57 HA 0.01 0.06 0.26 -0.51 4.44 4.26 2r51A1 PRO 57 HB2 0.01 -0.00 -0.00 -0.04 2.28 2.24 2r51A1 PRO 57 HB3 0.01 -0.00 0.13 -0.04 2.02 2.12 2r51A1 PRO 57 HG2 0.01 0.01 0.07 -0.04 2.03 2.07 2r51A1 PRO 57 HG3 0.01 0.09 0.05 -0.04 2.03 2.14 2r51A1 PRO 57 HD2 0.01 0.04 0.16 -0.04 3.68 3.85 2r51A1 PRO 57 HD3 0.01 0.43 -0.08 -0.04 3.65 3.97 2r51A1 ASN 58 H 0.01 -0.06 -0.66 -0.55 8.53 7.28 2r51A1 ASN 58 HA 0.01 0.17 0.73 -0.75 4.76 4.92 2r51A1 ASN 58 HB2 0.01 -0.04 0.01 -0.04 2.88 2.81 2r51A1 ASN 58 HB3 0.01 -0.01 0.00 -0.04 2.79 2.75 2r51A1 ASN 58 HD21 0.00 -0.01 -0.02 -0.04 7.03 6.97 2r51A1 ASN 58 HD22 0.01 -0.01 -0.01 -0.04 7.74 7.69 2r51A1 LYS 59 H 0.01 0.25 0.04 -0.55 8.42 8.17 2r51A1 LYS 59 HA 0.01 0.03 0.67 -0.75 4.32 4.28 2r51A1 LYS 59 HB2 0.01 0.02 0.15 -0.04 1.87 2.01 2r51A1 LYS 59 HB3 0.02 0.11 -0.05 -0.04 1.79 1.83 2r51A1 LYS 59 HG2 0.01 -0.01 0.07 -0.04 1.46 1.49 2r51A1 LYS 59 HG3 0.01 -0.06 0.01 -0.04 1.46 1.38 2r51A1 LYS 59 HD2 0.01 -0.02 0.03 -0.04 1.69 1.66 2r51A1 LYS 59 HD3 0.01 0.06 0.03 -0.04 1.68 1.74 2r51A1 LYS 59 HE2 0.01 -0.01 0.02 -0.04 2.99 2.97 2r51A1 LYS 59 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 2r51A1 ARG 60 H 0.02 0.05 0.19 -0.55 8.46 8.16 2r51A1 ARG 60 HA 0.03 0.24 0.72 -0.75 4.34 4.57 2r51A1 ARG 60 HB2 0.01 -0.05 -0.01 -0.04 1.90 1.81 2r51A1 ARG 60 HB3 0.02 -0.04 -0.09 -0.04 1.80 1.65 2r51A1 ARG 60 HG2 0.01 -0.02 -0.02 -0.04 1.67 1.59 2r51A1 ARG 60 HG3 0.01 0.11 -0.03 -0.04 1.67 1.73 2r51A1 ARG 60 HD2 0.01 0.07 0.07 -0.04 3.22 3.33 2r51A1 ARG 60 HD3 0.01 -0.05 0.10 -0.04 3.22 3.24 2r51A1 LEU 61 H 0.05 0.86 0.29 -0.55 8.37 9.03 2r51A1 LEU 61 HA 0.05 0.13 0.85 -0.75 4.35 4.62 2r51A1 LEU 61 HB2 0.06 0.08 -0.03 -0.04 1.64 1.71 2r51A1 LEU 61 HB3 0.11 -0.09 0.20 -0.04 1.64 1.83 2r51A1 LEU 61 HG 0.13 0.01 -0.36 -0.04 1.64 1.38 2r51A1 LEU 61 HD13 0.05 0.01 -0.08 -0.04 0.93 0.87 2r51A1 LEU 61 HD23 0.08 -0.01 -0.13 -0.04 0.89 0.78 2r51A1 GLU 62 H 0.03 0.19 0.11 -0.55 8.60 8.38 2r51A1 GLU 62 HA -0.06 0.25 0.93 -0.75 4.29 4.66 2r51A1 GLU 62 HB2 0.00 -0.05 0.16 -0.04 2.09 2.16 2r51A1 GLU 62 HB3 -0.03 0.04 0.05 -0.04 1.99 2.02 2r51A1 GLU 62 HG2 -0.00 -0.03 -0.08 -0.04 2.34 2.19 2r51A1 GLU 62 HG3 -0.01 -0.01 0.01 -0.04 2.34 2.29 2r51A1 HIS 63 H -0.33 0.53 0.28 -0.55 8.41 8.35 2r51A1 HIS 63 HA 0.00 0.17 0.84 -0.75 4.63 4.89 2r51A1 HIS 63 HB2 -0.01 0.15 0.06 -0.04 3.26 3.42 2r51A1 HIS 63 HB3 0.01 0.02 -0.26 -0.04 3.20 2.91 2r51A1 HIS 63 HD2 0.03 0.07 -0.24 -0.04 6.97 6.79 2r51A1 HIS 63 HE1 -0.02 0.27 -0.23 -0.04 7.75 7.72 2r51A1 GLN 64 H 0.11 0.81 0.12 -0.55 8.47 8.96 2r51A1 GLN 64 HA 0.01 0.12 0.93 -0.75 4.36 4.67 2r51A1 GLN 64 HB2 0.03 -0.01 -0.11 -0.04 2.15 2.01 2r51A1 GLN 64 HB3 0.02 0.02 0.17 -0.04 2.02 2.18 2r51A1 GLN 64 HG2 0.00 0.02 -0.06 -0.04 2.40 2.33 2r51A1 GLN 64 HG3 -0.01 0.05 -0.07 -0.04 2.39 2.32 2r51A1 GLN 64 HE21 0.00 -0.10 -0.16 -0.04 6.97 6.67 2r51A1 GLN 64 HE22 -0.02 0.11 -0.33 -0.04 7.69 7.41 2r51A1 GLY 65 H 0.55 0.04 -0.39 -0.55 8.43 8.09 2r51A1 GLY 65 HA2 0.13 0.20 -0.05 -0.51 4.01 3.78 2r51A1 GLY 65 HA3 0.04 0.20 0.77 -0.51 4.01 4.51 2r51A1 ILE 66 H -0.13 0.52 0.30 -0.55 8.25 8.38 2r51A1 ILE 66 HA -0.18 0.38 1.03 -0.75 4.18 4.66 2r51A1 ILE 66 HB -0.51 -0.08 0.03 -0.04 1.89 1.29 2r51A1 ILE 66 HG12 -0.42 0.04 -0.09 -0.04 1.49 0.98 2r51A1 ILE 66 HG13 -0.69 -0.15 -0.50 -0.04 1.21 -0.17 2r51A1 ILE 66 HG23 -0.32 0.02 -0.13 -0.04 0.93 0.45 2r51A1 ILE 66 HD13 -0.54 0.01 -0.14 -0.04 0.88 0.17 2r51A1 LYS 67 H -0.12 0.51 0.36 -0.55 8.42 8.62 2r51A1 LYS 67 HA -0.08 0.10 0.93 -0.75 4.32 4.51 2r51A1 LYS 67 HB2 -0.06 0.07 0.05 -0.04 1.87 1.89 2r51A1 LYS 67 HB3 -0.05 0.02 -0.28 -0.04 1.79 1.44 2r51A1 LYS 67 HG2 -0.03 0.00 -0.15 -0.04 1.46 1.24 2r51A1 LYS 67 HG3 -0.03 -0.01 -0.20 -0.04 1.46 1.18 2r51A1 LYS 67 HD2 -0.03 0.02 -0.22 -0.04 1.69 1.42 2r51A1 LYS 67 HD3 -0.02 -0.01 -0.15 -0.04 1.68 1.46 2r51A1 LYS 67 HE2 -0.03 0.00 -0.15 -0.04 2.99 2.77 2r51A1 LYS 67 HE3 -0.02 -0.00 -0.15 -0.04 2.99 2.77 2r51A1 ILE 68 H -0.07 0.75 0.34 -0.55 8.25 8.72 2r51A1 ILE 68 HA -0.10 0.27 0.73 -0.75 4.18 4.32 2r51A1 ILE 68 HB -0.26 -0.01 -0.01 -0.04 1.89 1.57 2r51A1 ILE 68 HG12 -1.12 -0.05 -0.20 -0.04 1.49 0.08 2r51A1 ILE 68 HG13 -0.19 0.10 -0.19 -0.04 1.21 0.89 2r51A1 ILE 68 HG23 -0.38 -0.01 -0.03 -0.04 0.93 0.47 2r51A1 ILE 68 HD13 -0.25 -0.01 -0.24 -0.04 0.88 0.34 2r51A1 GLU 69 H -0.06 0.60 0.25 -0.55 8.60 8.85 2r51A1 GLU 69 HA -0.01 0.33 1.02 -0.75 4.29 4.88 2r51A1 GLU 69 HB2 -0.11 -0.05 0.09 -0.04 2.09 1.98 2r51A1 GLU 69 HB3 -0.17 0.05 -0.01 -0.04 1.99 1.83 2r51A1 GLU 69 HG2 -0.04 0.01 -0.06 -0.04 2.34 2.21 2r51A1 GLU 69 HG3 -0.03 -0.08 -0.32 -0.04 2.34 1.86 2r51A1 PHE 70 H -0.40 0.46 0.27 -0.55 8.34 8.12 2r51A1 PHE 70 HA -0.37 0.27 0.91 -0.75 4.62 4.68 2r51A1 PHE 70 HB2 -0.81 -0.01 0.03 -0.04 3.15 2.32 2r51A1 PHE 70 HB3 -0.78 -0.09 0.12 -0.04 3.06 2.27 2r51A1 PHE 70 HD2 -0.24 -0.06 -0.25 -0.04 7.28 6.70 2r51A1 PHE 70 HE2 -0.11 0.02 -0.20 -0.04 7.38 7.04 2r51A1 PHE 70 HZ -0.22 0.00 -0.20 -0.04 7.32 6.86 2r51A1 ILE 71 H -1.22 0.64 0.26 -0.55 8.25 7.38 2r51A1 ILE 71 HA -0.51 0.36 1.10 -0.75 4.18 4.38 2r51A1 ILE 71 HB -1.67 -0.00 -0.01 -0.04 1.89 0.16 2r51A1 ILE 71 HG12 -0.35 0.07 -0.14 -0.04 1.49 1.02 2r51A1 ILE 71 HG13 -0.49 -0.11 -0.54 -0.04 1.21 0.03 2r51A1 ILE 71 HG23 -0.46 -0.00 -0.19 -0.04 0.93 0.24 2r51A1 ILE 71 HD13 -0.20 -0.00 -0.12 -0.04 0.88 0.51 2r51A1 GLY 72 H -0.56 0.60 0.37 -0.55 8.43 8.30 2r51A1 GLY 72 HA2 -0.83 0.29 0.84 -0.51 4.01 3.80 2r51A1 GLY 72 HA3 -1.20 -0.02 0.43 -0.51 4.01 2.71 2r51A1 GLN 73 H -0.30 0.77 0.29 -0.55 8.47 8.68 2r51A1 GLN 73 HA -0.15 0.17 0.78 -0.75 4.36 4.41 2r51A1 GLN 73 HB2 0.05 -0.06 -0.23 -0.04 2.15 1.86 2r51A1 GLN 73 HB3 -0.13 -0.03 -0.26 -0.04 2.02 1.56 2r51A1 GLN 73 HG2 0.13 0.05 -0.09 -0.04 2.40 2.44 2r51A1 GLN 73 HG3 0.10 0.01 -0.34 -0.04 2.39 2.11 2r51A1 GLN 73 HE21 -0.25 0.01 -0.14 -0.04 6.97 6.55 2r51A1 GLN 73 HE22 0.03 0.00 -0.17 -0.04 7.69 7.50 2r51A1 ILE 74 H 0.26 0.67 0.23 -0.55 8.25 8.86 2r51A1 ILE 74 HA 0.17 0.24 1.04 -0.75 4.18 4.87 2r51A1 ILE 74 HB 0.23 0.03 0.16 -0.04 1.89 2.28 2r51A1 ILE 74 HG12 0.27 -0.00 -0.03 -0.04 1.49 1.68 2r51A1 ILE 74 HG13 0.43 -0.07 -0.17 -0.04 1.21 1.35 2r51A1 ILE 74 HG23 0.09 -0.01 -0.18 -0.04 0.93 0.79 2r51A1 ILE 74 HD13 0.05 -0.00 -0.11 -0.04 0.88 0.78 2r51A1 GLU 75 H 0.10 0.79 0.28 -0.55 8.60 9.22 2r51A1 GLU 75 HA 0.17 0.21 0.83 -0.75 4.29 4.74 2r51A1 GLU 75 HB2 0.18 -0.07 0.10 -0.04 2.09 2.26 2r51A1 GLU 75 HB3 0.15 0.06 -0.05 -0.04 1.99 2.10 2r51A1 GLU 75 HG2 0.19 0.05 -0.22 -0.04 2.34 2.32 2r51A1 GLU 75 HG3 0.13 -0.05 -0.39 -0.04 2.34 1.98 2r51A1 LEU 76 H 0.17 0.35 0.05 -0.55 8.37 8.39 2r51A1 LEU 76 HA 0.00 0.18 0.78 -0.75 4.35 4.56 2r51A1 LEU 76 HB2 0.16 0.03 0.15 -0.04 1.64 1.93 2r51A1 LEU 76 HB3 0.10 -0.04 0.06 -0.04 1.64 1.72 2r51A1 LEU 76 HG 0.14 -0.03 -0.14 -0.04 1.64 1.57 2r51A1 LEU 76 HD13 0.02 0.02 0.07 -0.04 0.93 1.00 2r51A1 LEU 76 HD23 0.02 0.03 -0.00 -0.04 0.89 0.89 2r51A1 TYR 77 H -0.01 0.67 0.09 -0.55 8.29 8.49 2r51A1 TYR 77 HA -0.09 0.05 0.23 -0.75 4.56 3.99 2r51A1 TYR 77 HB2 -0.18 0.01 0.07 -0.04 3.06 2.93 2r51A1 TYR 77 HB3 -0.22 0.01 0.01 -0.04 2.98 2.73 2r51A1 TYR 77 HD2 -0.09 0.04 -0.26 -0.04 7.15 6.80 2r51A1 TYR 77 HE2 -0.07 0.08 -0.21 -0.04 6.85 6.60 2r51A1 TYR 78 H 0.13 0.14 -0.24 -0.55 8.29 7.76 2r51A1 TYR 78 HA -0.05 0.14 0.66 -0.75 4.56 4.56 2r51A1 TYR 78 HB2 -0.17 0.01 -0.00 -0.04 3.06 2.85 2r51A1 TYR 78 HB3 -0.05 0.02 0.06 -0.04 2.98 2.97 2r51A1 TYR 78 HD2 -0.34 -0.00 0.00 -0.04 7.15 6.77 2r51A1 TYR 78 HE2 -0.23 -0.01 -0.03 -0.04 6.85 6.54 2r51A1 ASP 79 H 0.10 0.48 -0.58 -0.55 8.40 7.85 2r51A1 ASP 79 HA 0.05 0.08 0.56 -0.75 4.63 4.56 2r51A1 ASP 79 HB2 0.12 0.04 -0.22 -0.04 2.71 2.61 2r51A1 ASP 79 HB3 0.13 0.02 0.11 -0.04 2.70 2.92 2r51A1 ARG 80 H -0.01 0.19 -0.05 -0.55 8.46 8.03 2r51A1 ARG 80 HA 0.01 0.17 0.04 -0.75 4.34 3.81 2r51A1 ARG 80 HB2 -0.05 0.13 0.07 -0.04 1.90 2.00 2r51A1 ARG 80 HB3 -0.07 -0.02 0.01 -0.04 1.80 1.68 2r51A1 ARG 80 HG2 -0.11 -0.01 -0.06 -0.04 1.67 1.45 2r51A1 ARG 80 HG3 -0.05 -0.00 0.00 -0.04 1.67 1.57 2r51A1 ARG 80 HD2 0.04 0.02 -0.26 -0.04 3.22 2.97 2r51A1 ARG 80 HD3 -0.24 0.02 -0.09 -0.04 3.22 2.86 2r51A1 GLY 81 H -0.07 0.04 -0.26 -0.55 8.43 7.59 2r51A1 GLY 81 HA2 -0.19 0.12 0.53 -0.51 4.01 3.96 2r51A1 GLY 81 HA3 -0.12 -0.02 0.25 -0.51 4.01 3.62 2r51A1 ASN 82 H -0.15 0.44 -0.32 -0.55 8.53 7.95 2r51A1 ASN 82 HA -0.26 0.08 0.72 -0.75 4.76 4.54 2r51A1 ASN 82 HB2 -0.08 -0.10 -0.02 -0.04 2.88 2.63 2r51A1 ASN 82 HB3 -0.08 0.13 0.18 -0.04 2.79 2.98 2r51A1 ASN 82 HD21 0.06 -0.01 -0.01 -0.04 7.03 7.03 2r51A1 ASN 82 HD22 0.05 -0.05 0.01 -0.04 7.74 7.70 2r51A1 HIS 83 H -0.27 0.13 0.15 -0.55 8.41 7.87 2r51A1 HIS 83 HA -0.09 0.17 0.58 -0.75 4.63 4.55 2r51A1 HIS 83 HB2 -0.06 -0.03 0.10 -0.04 3.26 3.23 2r51A1 HIS 83 HB3 -0.03 -0.05 -0.01 -0.04 3.20 3.07 2r51A1 HIS 83 HD2 -0.01 0.01 -0.17 -0.04 6.97 6.76 2r51A1 HIS 83 HE1 -0.03 -0.02 -0.04 -0.04 7.75 7.60 2r51A1 HIS 84 H 0.15 0.32 0.08 -0.55 8.41 8.42 2r51A1 HIS 84 HA 0.09 0.21 0.94 -0.75 4.63 5.11 2r51A1 HIS 84 HB2 0.12 0.05 0.30 -0.04 3.26 3.69 2r51A1 HIS 84 HB3 0.12 0.00 0.14 -0.04 3.20 3.42 2r51A1 HIS 84 HD2 0.07 0.03 0.03 -0.04 6.97 7.05 2r51A1 HIS 84 HE1 0.04 -0.06 -0.03 -0.04 7.75 7.65 2r51A1 GLU 85 H 0.05 0.15 -0.20 -0.55 8.60 8.06 2r51A1 GLU 85 HA -0.18 0.14 0.72 -0.75 4.29 4.22 2r51A1 GLU 85 HB2 -0.04 -0.01 0.02 -0.04 2.09 2.02 2r51A1 GLU 85 HB3 -0.17 0.04 -0.06 -0.04 1.99 1.76 2r51A1 GLU 85 HG2 -0.13 0.01 -0.06 -0.04 2.34 2.12 2r51A1 GLU 85 HG3 -0.08 -0.04 -0.08 -0.04 2.34 2.10 2r51A1 PHE 86 H -0.86 0.54 0.34 -0.55 8.34 7.81 2r51A1 PHE 86 HA 0.07 0.20 0.83 -0.75 4.62 4.97 2r51A1 PHE 86 HB2 0.18 -0.04 0.07 -0.04 3.15 3.32 2r51A1 PHE 86 HB3 0.15 0.05 -0.01 -0.04 3.06 3.22 2r51A1 PHE 86 HD2 0.10 0.05 -0.20 -0.04 7.28 7.19 2r51A1 PHE 86 HE2 0.06 0.01 -0.24 -0.04 7.38 7.17 2r51A1 PHE 86 HZ -0.52 0.04 -0.18 -0.04 7.32 6.61 2r51A1 VAL 87 H -0.60 0.31 0.29 -0.55 8.24 7.68 2r51A1 VAL 87 HA 0.00 0.15 0.53 -0.75 4.13 4.06 2r51A1 VAL 87 HB 0.15 0.08 0.07 -0.04 2.12 2.38 2r51A1 VAL 87 HG13 0.03 -0.01 0.05 -0.04 0.97 1.00 2r51A1 VAL 87 HG23 0.07 0.02 -0.10 -0.04 0.95 0.90 2r51A1 SER 88 H -0.05 0.27 0.07 -0.55 8.46 8.20 2r51A1 SER 88 HA -0.19 0.32 0.99 -0.75 4.49 4.86 2r51A1 SER 88 HB2 -0.07 -0.02 0.07 -0.04 3.95 3.90 2r51A1 SER 88 HB3 -0.11 0.01 -0.02 -0.04 3.93 3.78 2r51A1 LEU 89 H -0.18 0.75 0.34 -0.55 8.37 8.73 2r51A1 LEU 89 HA -0.03 0.17 0.95 -0.75 4.35 4.68 2r51A1 LEU 89 HB2 -0.78 -0.09 0.08 -0.04 1.64 0.81 2r51A1 LEU 89 HB3 -0.05 0.03 0.07 -0.04 1.64 1.64 2r51A1 LEU 89 HG -0.10 -0.01 -0.19 -0.04 1.64 1.30 2r51A1 LEU 89 HD13 -0.30 -0.01 -0.06 -0.04 0.93 0.52 2r51A1 LEU 89 HD23 -0.01 0.06 -0.05 -0.04 0.89 0.84 2r51A1 VAL 90 H 0.09 0.23 0.14 -0.55 8.24 8.15 2r51A1 VAL 90 HA 0.10 0.26 1.04 -0.75 4.13 4.78 2r51A1 VAL 90 HB 0.03 -0.01 0.08 -0.04 2.12 2.18 2r51A1 VAL 90 HG13 0.01 -0.01 -0.18 -0.04 0.97 0.75 2r51A1 VAL 90 HG23 -0.02 0.00 -0.26 -0.04 0.95 0.63 2r51A1 LYS 91 H 0.18 0.78 0.30 -0.55 8.42 9.13 2r51A1 LYS 91 HA 0.02 0.13 0.91 -0.75 4.32 4.64 2r51A1 LYS 91 HB2 -0.22 -0.02 -0.01 -0.04 1.87 1.58 2r51A1 LYS 91 HB3 -0.16 -0.04 0.16 -0.04 1.79 1.71 2r51A1 LYS 91 HG2 -0.17 -0.08 0.01 -0.04 1.46 1.18 2r51A1 LYS 91 HG3 -0.07 0.12 -0.20 -0.04 1.46 1.28 2r51A1 LYS 91 HD2 -0.05 0.00 0.05 -0.04 1.69 1.66 2r51A1 LYS 91 HD3 -0.02 0.01 0.13 -0.04 1.68 1.76 2r51A1 LYS 91 HE2 -0.04 -0.02 0.02 -0.04 2.99 2.91 2r51A1 LYS 91 HE3 -0.20 0.04 0.06 -0.04 2.99 2.85 2r51A1 ASP 92 H -0.01 0.16 0.09 -0.55 8.40 8.10 2r51A1 ASP 92 HA -0.05 0.08 0.81 -0.75 4.63 4.71 2r51A1 ASP 92 HB2 -0.02 -0.01 0.11 -0.04 2.71 2.75 2r51A1 ASP 92 HB3 -0.03 0.05 0.03 -0.04 2.70 2.71 2r51A1 LEU 93 H -0.14 0.76 0.44 -0.55 8.37 8.88 2r51A1 LEU 93 HA -0.07 0.17 0.76 -0.75 4.35 4.45 2r51A1 LEU 93 HB2 -0.43 -0.03 -0.16 -0.04 1.64 0.97 2r51A1 LEU 93 HB3 -0.29 -0.03 -0.01 -0.04 1.64 1.27 2r51A1 LEU 93 HG -0.12 0.04 -0.15 -0.04 1.64 1.38 2r51A1 LEU 93 HD13 -0.07 -0.02 -0.21 -0.04 0.93 0.59 2r51A1 LEU 93 HD23 0.03 0.01 -0.17 -0.04 0.89 0.71 2r51A1 ALA 94 H -0.18 0.36 0.25 -0.55 8.40 8.29 2r51A1 ALA 94 HA -0.03 0.09 0.52 -0.75 4.34 4.16 2r51A1 ALA 94 HB3 -0.20 0.02 0.00 -0.04 1.41 1.19 2r51A1 ARG 95 H 0.03 0.11 0.08 -0.55 8.46 8.13 2r51A1 ARG 95 HA 0.02 0.10 0.61 -0.75 4.34 4.32 2r51A1 ARG 95 HB2 0.01 0.05 0.14 -0.04 1.90 2.06 2r51A1 ARG 95 HB3 0.01 -0.04 0.10 -0.04 1.80 1.83 2r51A1 ARG 95 HG2 0.03 -0.09 0.07 -0.04 1.67 1.64 2r51A1 ARG 95 HG3 0.02 0.24 -0.11 -0.04 1.67 1.78 2r51A1 ARG 95 HD2 0.01 0.00 0.02 -0.04 3.22 3.22 2r51A1 ARG 95 HD3 0.02 -0.03 0.03 -0.04 3.22 3.19 2r51A1 PRO 96 HA 0.01 -0.06 0.23 -0.51 4.44 4.11 2r51A1 PRO 96 HB2 -0.04 0.00 -0.03 -0.04 2.28 2.18 2r51A1 PRO 96 HB3 -0.03 0.04 0.19 -0.04 2.02 2.18 2r51A1 PRO 96 HG2 -0.00 0.01 0.06 -0.04 2.03 2.06 2r51A1 PRO 96 HG3 0.01 0.17 -0.00 -0.04 2.03 2.17 2r51A1 PRO 96 HD2 0.01 0.06 0.16 -0.04 3.68 3.87 2r51A1 PRO 96 HD3 0.02 0.14 0.13 -0.04 3.65 3.90 2r51A1 GLY 97 H -0.50 0.55 0.26 -0.55 8.43 8.18 2r51A1 GLY 97 HA2 -0.13 0.01 0.32 -0.51 4.01 3.69 2r51A1 GLY 97 HA3 -0.14 0.08 0.60 -0.51 4.01 4.04 2r51A1 GLU 98 H -0.08 0.31 0.18 -0.55 8.60 8.46 2r51A1 GLU 98 HA -0.06 0.33 0.94 -0.75 4.29 4.74 2r51A1 GLU 98 HB2 -0.04 -0.03 -0.24 -0.04 2.09 1.74 2r51A1 GLU 98 HB3 -0.00 -0.01 -0.01 -0.04 1.99 1.93 2r51A1 GLU 98 HG2 0.02 -0.02 -0.24 -0.04 2.34 2.06 2r51A1 GLU 98 HG3 -0.01 0.01 -0.18 -0.04 2.34 2.11 2r51A1 ILE 99 H 0.11 0.73 0.31 -0.55 8.25 8.85 2r51A1 ILE 99 HA 0.12 0.13 0.87 -0.75 4.18 4.54 2r51A1 ILE 99 HB 0.19 0.02 0.12 -0.04 1.89 2.17 2r51A1 ILE 99 HG12 0.20 0.05 0.07 -0.04 1.49 1.76 2r51A1 ILE 99 HG13 0.30 0.09 -0.15 -0.04 1.21 1.41 2r51A1 ILE 99 HG23 0.09 0.03 -0.12 -0.04 0.93 0.89 2r51A1 ILE 99 HD13 0.17 -0.01 -0.11 -0.04 0.88 0.89 2r51A1 THR 100 H 0.05 0.20 0.10 -0.55 8.28 8.08 2r51A1 THR 100 HA 0.03 0.19 0.78 -0.75 4.39 4.63 2r51A1 THR 100 HB 0.02 0.09 0.07 -0.04 4.32 4.45 2r51A1 THR 100 HG23 0.02 -0.02 -0.12 -0.04 1.22 1.06 2r51A1 GLN 101 H 0.04 0.10 -0.14 -0.55 8.47 7.93 2r51A1 GLN 101 HA 0.01 0.19 0.81 -0.75 4.36 4.62 2r51A1 GLN 101 HB2 0.01 0.00 -0.32 -0.04 2.15 1.80 2r51A1 GLN 101 HB3 0.01 -0.06 -0.04 -0.04 2.02 1.89 2r51A1 GLN 101 HG2 -0.01 0.24 -0.13 -0.04 2.40 2.46 2r51A1 GLN 101 HG3 -0.00 0.00 0.05 -0.04 2.39 2.40 2r51A1 GLN 101 HE21 -0.01 -0.04 0.00 -0.04 6.97 6.88 2r51A1 GLN 101 HE22 -0.01 0.02 0.02 -0.04 7.69 7.67 2r51A1 SER 102 H 0.01 0.14 0.16 -0.55 8.46 8.22 2r51A1 SER 102 HA 0.01 0.09 0.58 -0.75 4.49 4.42 2r51A1 SER 102 HB2 -0.00 -0.02 0.21 -0.04 3.95 4.09 2r51A1 SER 102 HB3 -0.00 0.09 0.11 -0.04 3.93 4.09 2r51A1 GLN 103 H -0.02 0.38 0.40 -0.55 8.47 8.69 2r51A1 GLN 103 HA -0.10 0.07 0.68 -0.75 4.36 4.25 2r51A1 GLN 103 HB2 -0.34 0.03 0.14 -0.04 2.15 1.94 2r51A1 GLN 103 HB3 -0.13 0.06 -0.11 -0.04 2.02 1.80 2r51A1 GLN 103 HG2 -0.03 0.13 0.04 -0.04 2.40 2.50 2r51A1 GLN 103 HG3 -0.30 -0.03 -0.12 -0.04 2.39 1.90 2r51A1 GLN 103 HE21 -0.01 -0.03 0.01 -0.04 6.97 6.91 2r51A1 GLN 103 HE22 -0.72 0.07 -0.02 -0.04 7.69 6.99 2r51A1 ALA 104 H -0.23 0.19 0.23 -0.55 8.40 8.04 2r51A1 ALA 104 HA -0.04 0.28 1.00 -0.75 4.34 4.83 2r51A1 ALA 104 HB3 -0.04 -0.02 -0.08 -0.04 1.41 1.23 2r51A1 PHE 105 H 0.19 0.48 0.24 -0.55 8.34 8.70 2r51A1 PHE 105 HA 0.02 0.14 0.94 -0.75 4.62 4.97 2r51A1 PHE 105 HB2 0.05 -0.07 0.14 -0.04 3.15 3.22 2r51A1 PHE 105 HB3 0.04 0.10 0.01 -0.04 3.06 3.17 2r51A1 PHE 105 HD2 0.01 0.08 -0.02 -0.04 7.28 7.31 2r51A1 PHE 105 HE2 -0.00 -0.01 -0.07 -0.04 7.38 7.26 2r51A1 PHE 105 HZ 0.01 -0.02 -0.08 -0.04 7.32 7.19 2r51A1 ASP 106 H 0.10 0.14 0.16 -0.55 8.40 8.26 2r51A1 ASP 106 HA 0.00 0.13 0.64 -0.75 4.63 4.65 2r51A1 ASP 106 HB2 0.03 -0.02 0.15 -0.04 2.71 2.83 2r51A1 ASP 106 HB3 -0.03 0.02 -0.05 -0.04 2.70 2.60 2r51A1 PHE 107 H -0.32 0.70 0.41 -0.55 8.34 8.58 2r51A1 PHE 107 HA -0.12 0.14 0.49 -0.75 4.62 4.38 2r51A1 PHE 107 HB2 -0.32 -0.00 0.00 -0.04 3.15 2.79 2r51A1 PHE 107 HB3 -0.09 0.09 -0.17 -0.04 3.06 2.85 2r51A1 PHE 107 HD2 -0.12 0.04 -0.35 -0.04 7.28 6.81 2r51A1 PHE 107 HE2 0.11 0.04 -0.44 -0.04 7.38 7.06 2r51A1 PHE 107 HZ 0.09 0.03 -0.34 -0.04 7.32 7.05 2r51A1 GLU 108 H -0.11 0.28 0.10 -0.55 8.60 8.32 2r51A1 GLU 108 HA -0.09 0.19 0.74 -0.75 4.29 4.38 2r51A1 GLU 108 HB2 -0.10 0.02 -0.12 -0.04 2.09 1.86 2r51A1 GLU 108 HB3 -0.07 -0.01 0.03 -0.04 1.99 1.91 2r51A1 GLU 108 HG2 -0.02 -0.03 -0.43 -0.04 2.34 1.81 2r51A1 GLU 108 HG3 -0.04 0.01 -0.13 -0.04 2.34 2.13 2r51A1 PHE 109 H 0.15 0.78 0.22 -0.55 8.34 8.93 2r51A1 PHE 109 HA 0.02 0.15 0.82 -0.75 4.62 4.86 2r51A1 PHE 109 HB2 -0.07 -0.01 0.19 -0.04 3.15 3.21 2r51A1 PHE 109 HB3 -0.08 0.05 -0.03 -0.04 3.06 2.96 2r51A1 PHE 109 HD2 0.09 0.06 -0.06 -0.04 7.28 7.32 2r51A1 PHE 109 HE2 -0.10 -0.02 -0.35 -0.04 7.38 6.86 2r51A1 PHE 109 HZ -0.09 0.17 -0.26 -0.04 7.32 7.10 2r51A1 THR 110 H 0.11 0.20 0.03 -0.55 8.28 8.07 2r51A1 THR 110 HA -0.01 0.11 0.85 -0.75 4.39 4.58 2r51A1 THR 110 HB -0.15 -0.02 0.05 -0.04 4.32 4.16 2r51A1 THR 110 HG23 -0.01 0.01 -0.11 -0.04 1.22 1.07 2r51A1 HIS 111 H -0.21 0.13 0.08 -0.55 8.41 7.87 2r51A1 HIS 111 HA 0.00 0.15 0.35 -0.75 4.63 4.38 2r51A1 HIS 111 HB2 0.01 0.20 0.05 -0.04 3.26 3.48 2r51A1 HIS 111 HB3 0.00 -0.04 0.21 -0.04 3.20 3.33 2r51A1 HIS 111 HD2 0.01 -0.00 -0.17 -0.04 6.97 6.76 2r51A1 HIS 111 HE1 0.01 0.00 0.00 -0.04 7.75 7.71 2r51A1 VAL 112 H -0.04 0.22 -0.57 -0.55 8.24 7.30 2r51A1 VAL 112 HA -0.08 0.13 0.50 -0.75 4.13 3.92 2r51A1 VAL 112 HB -0.32 0.19 -0.08 -0.04 2.12 1.87 2r51A1 VAL 112 HG13 -0.86 -0.00 -0.28 -0.04 0.97 -0.21 2r51A1 VAL 112 HG23 -0.23 -0.02 -0.25 -0.04 0.95 0.41 2r51A1 GLU 113 H -0.00 0.21 0.16 -0.55 8.60 8.42 2r51A1 GLU 113 HA 0.04 -0.06 0.42 -0.75 4.29 3.93 2r51A1 GLU 113 HB2 0.04 0.07 0.14 -0.04 2.09 2.30 2r51A1 GLU 113 HB3 0.08 -0.00 0.12 -0.04 1.99 2.15 2r51A1 GLU 113 HG2 0.05 -0.02 -0.12 -0.04 2.34 2.21 2r51A1 GLU 113 HG3 0.03 -0.01 0.01 -0.04 2.34 2.32 2r51A1 LYS 114 H 0.06 0.08 0.01 -0.55 8.42 8.02 2r51A1 LYS 114 HA 0.43 0.17 0.62 -0.75 4.32 4.78 2r51A1 LYS 114 HB2 0.00 -0.09 -0.06 -0.04 1.87 1.69 2r51A1 LYS 114 HB3 -0.22 0.04 -0.06 -0.04 1.79 1.50 2r51A1 LYS 114 HG2 0.08 0.08 -0.37 -0.04 1.46 1.22 2r51A1 LYS 114 HG3 -0.05 0.12 -0.71 -0.04 1.46 0.78 2r51A1 LYS 114 HD2 -0.08 -0.04 -0.41 -0.04 1.69 1.12 2r51A1 LYS 114 HD3 -0.19 -0.04 -0.25 -0.04 1.68 1.16 2r51A1 LYS 114 HE2 -0.24 -0.05 -0.18 -0.04 2.99 2.47 2r51A1 LYS 114 HE3 -0.54 -0.08 -0.24 -0.04 2.99 2.10 2r51A1 PRO 115 HA -0.11 0.09 0.38 -0.51 4.44 4.29 2r51A1 PRO 115 HB2 -1.17 0.05 -0.03 -0.04 2.28 1.08 2r51A1 PRO 115 HB3 -0.30 0.01 0.07 -0.04 2.02 1.76 2r51A1 PRO 115 HG2 -0.89 0.05 -0.05 -0.04 2.03 1.10 2r51A1 PRO 115 HG3 -0.17 0.04 -0.03 -0.04 2.03 1.84 2r51A1 PRO 115 HD2 0.30 0.12 -0.01 -0.04 3.68 4.05 2r51A1 PRO 115 HD3 0.16 0.10 -0.31 -0.04 3.65 3.56 2r51A1 TYR 116 H 0.18 0.17 -0.40 -0.55 8.29 7.69 2r51A1 TYR 116 HA 0.07 0.18 0.83 -0.75 4.56 4.88 2r51A1 TYR 116 HB2 -0.02 -0.02 -0.21 -0.04 3.06 2.77 2r51A1 TYR 116 HB3 0.00 0.07 -0.11 -0.04 2.98 2.91 2r51A1 TYR 116 HD2 -0.85 0.06 -0.14 -0.04 7.15 6.18 2r51A1 TYR 116 HE2 -0.47 0.03 -0.05 -0.04 6.85 6.33 2r51A1 GLU 117 H 0.27 0.14 0.06 -0.55 8.60 8.52 2r51A1 GLU 117 HA 0.29 0.06 0.28 -0.75 4.29 4.16 2r51A1 GLU 117 HB2 0.22 -0.20 0.11 -0.04 2.09 2.18 2r51A1 GLU 117 HB3 0.23 0.01 0.14 -0.04 1.99 2.33 2r51A1 GLU 117 HG2 0.27 0.16 -0.02 -0.04 2.34 2.71 2r51A1 GLU 117 HG3 0.32 0.22 0.23 -0.04 2.34 3.08 2r51A1 SER 118 H 0.32 0.30 0.32 -0.55 8.46 8.86 2r51A1 SER 118 HA 0.36 0.09 0.48 -0.75 4.49 4.66 2r51A1 SER 118 HB2 0.18 0.04 0.22 -0.04 3.95 4.34 2r51A1 SER 118 HB3 0.05 0.04 0.11 -0.04 3.93 4.09 2r51A1 TYR 119 H 0.31 0.55 0.35 -0.55 8.29 8.95 2r51A1 TYR 119 HA 0.23 0.10 0.60 -0.75 4.56 4.74 2r51A1 TYR 119 HB2 0.25 0.18 -0.14 -0.04 3.06 3.31 2r51A1 TYR 119 HB3 0.15 -0.12 0.03 -0.04 2.98 3.00 2r51A1 TYR 119 HD2 -0.08 -0.00 -0.13 -0.04 7.15 6.89 2r51A1 TYR 119 HE2 -0.03 -0.06 -0.10 -0.04 6.85 6.62 2r51A1 THR 120 H -0.22 0.23 0.08 -0.55 8.28 7.82 2r51A1 THR 120 HA -0.20 0.07 1.00 -0.75 4.39 4.50 2r51A1 THR 120 HB -0.22 0.17 0.19 -0.04 4.32 4.42 2r51A1 THR 120 HG23 -0.03 -0.02 -0.16 -0.04 1.22 0.96 2r51A1 GLY 121 H -0.40 0.52 0.24 -0.55 8.43 8.24 2r51A1 GLY 121 HA2 -0.42 0.19 0.66 -0.51 4.01 3.93 2r51A1 GLY 121 HA3 -0.30 -0.10 0.32 -0.51 4.01 3.42 2r51A1 GLN 122 H -0.05 0.05 0.13 -0.55 8.47 8.06 2r51A1 GLN 122 HA 0.01 0.21 0.58 -0.75 4.36 4.41 2r51A1 GLN 122 HB2 0.01 -0.03 0.01 -0.04 2.15 2.10 2r51A1 GLN 122 HB3 0.02 0.06 0.05 -0.04 2.02 2.10 2r51A1 GLN 122 HG2 0.01 0.08 -0.09 -0.04 2.40 2.37 2r51A1 GLN 122 HG3 0.04 -0.08 0.03 -0.04 2.39 2.34 2r51A1 GLN 122 HE21 0.04 -0.03 -0.52 -0.04 6.97 6.42 2r51A1 GLN 122 HE22 0.06 -0.03 -0.16 -0.04 7.69 7.52 2r51A1 ASN 123 H -0.20 -0.01 0.04 -0.55 8.53 7.81 2r51A1 ASN 123 HA -0.29 0.29 0.94 -0.75 4.76 4.94 2r51A1 ASN 123 HB2 -0.06 0.01 -0.09 -0.04 2.88 2.69 2r51A1 ASN 123 HB3 -0.04 -0.05 0.07 -0.04 2.79 2.73 2r51A1 ASN 123 HD21 0.11 0.02 -0.13 -0.04 7.03 6.99 2r51A1 ASN 123 HD22 -0.01 0.09 -0.02 -0.04 7.74 7.76 2r51A1 VAL 124 H -0.62 0.10 -0.05 -0.55 8.24 7.11 2r51A1 VAL 124 HA -0.52 0.29 0.87 -0.75 4.13 4.03 2r51A1 VAL 124 HB -0.55 0.01 -0.45 -0.04 2.12 1.10 2r51A1 VAL 124 HG13 -0.44 0.03 -0.12 -0.04 0.97 0.40 2r51A1 VAL 124 HG23 -0.31 -0.04 -0.15 -0.04 0.95 0.41 2r51A1 LYS 125 H -0.10 0.63 0.30 -0.55 8.42 8.70 2r51A1 LYS 125 HA -0.11 0.24 0.84 -0.75 4.32 4.54 2r51A1 LYS 125 HB2 0.22 -0.01 -0.05 -0.04 1.87 1.99 2r51A1 LYS 125 HB3 0.16 -0.06 0.08 -0.04 1.79 1.92 2r51A1 LYS 125 HG2 0.07 0.04 -0.28 -0.04 1.46 1.24 2r51A1 LYS 125 HG3 0.05 0.02 0.09 -0.04 1.46 1.59 2r51A1 LYS 125 HD2 0.04 -0.03 -0.12 -0.04 1.69 1.55 2r51A1 LYS 125 HD3 0.04 0.01 -0.10 -0.04 1.68 1.59 2r51A1 LYS 125 HE2 0.06 0.01 -0.03 -0.04 2.99 2.99 2r51A1 LYS 125 HE3 0.11 -0.00 -0.07 -0.04 2.99 2.98 2r51A1 LEU 126 H 0.09 0.77 0.35 -0.55 8.37 9.04 2r51A1 LEU 126 HA 0.15 0.26 1.02 -0.75 4.35 5.03 2r51A1 LEU 126 HB2 0.24 -0.04 0.00 -0.04 1.64 1.80 2r51A1 LEU 126 HB3 0.32 -0.00 0.16 -0.04 1.64 2.07 2r51A1 LEU 126 HG 0.36 0.05 -0.12 -0.04 1.64 1.89 2r51A1 LEU 126 HD13 0.11 -0.00 -0.18 -0.04 0.93 0.82 2r51A1 LEU 126 HD23 0.31 0.03 -0.49 -0.04 0.89 0.71 2r51A1 ARG 127 H 0.08 0.69 0.29 -0.55 8.46 8.97 2r51A1 ARG 127 HA 0.14 0.13 0.97 -0.75 4.34 4.83 2r51A1 ARG 127 HB2 0.04 0.08 0.09 -0.04 1.90 2.07 2r51A1 ARG 127 HB3 0.06 -0.02 -0.25 -0.04 1.80 1.54 2r51A1 ARG 127 HG2 0.08 -0.02 -0.08 -0.04 1.67 1.61 2r51A1 ARG 127 HG3 0.19 0.00 -0.31 -0.04 1.67 1.52 2r51A1 ARG 127 HD2 -0.02 -0.01 -0.11 -0.04 3.22 3.04 2r51A1 ARG 127 HD3 -0.06 -0.03 -0.13 -0.04 3.22 2.96 2r51A1 TYR 128 H 0.24 0.30 0.30 -0.55 8.29 8.58 2r51A1 TYR 128 HA -0.27 0.35 1.18 -0.75 4.56 5.06 2r51A1 TYR 128 HB2 -0.03 0.07 0.01 -0.04 3.06 3.07 2r51A1 TYR 128 HB3 -0.38 -0.01 0.00 -0.04 2.98 2.56 2r51A1 TYR 128 HD2 0.02 -0.00 -0.08 -0.04 7.15 7.05 2r51A1 TYR 128 HE2 0.33 0.11 -0.08 -0.04 6.85 7.17 2r51A1 PHE 129 H -0.73 0.57 0.37 -0.55 8.34 7.99 2r51A1 PHE 129 HA -0.11 0.01 0.66 -0.75 4.62 4.43 2r51A1 PHE 129 HB2 -0.08 0.08 0.13 -0.04 3.15 3.23 2r51A1 PHE 129 HB3 -0.10 0.12 -0.11 -0.04 3.06 2.94 2r51A1 PHE 129 HD2 -0.15 0.03 -0.50 -0.04 7.28 6.62 2r51A1 PHE 129 HE2 -0.18 -0.02 -0.20 -0.04 7.38 6.94 2r51A1 PHE 129 HZ -0.23 -0.01 -0.15 -0.04 7.32 6.88 2r51A1 LEU 130 H 0.11 0.24 0.17 -0.55 8.37 8.34 2r51A1 LEU 130 HA -0.13 0.38 1.05 -0.75 4.35 4.88 2r51A1 LEU 130 HB2 0.12 0.01 0.08 -0.04 1.64 1.81 2r51A1 LEU 130 HB3 0.03 -0.01 -0.04 -0.04 1.64 1.58 2r51A1 LEU 130 HG 0.15 -0.04 -0.16 -0.04 1.64 1.55 2r51A1 LEU 130 HD13 0.27 -0.00 -0.17 -0.04 0.93 0.99 2r51A1 LEU 130 HD23 0.14 0.03 -0.14 -0.04 0.89 0.88 2r51A1 ARG 131 H -0.06 0.59 0.26 -0.55 8.46 8.70 2r51A1 ARG 131 HA 0.08 0.33 1.08 -0.75 4.34 5.07 2r51A1 ARG 131 HB2 0.34 -0.00 -0.16 -0.04 1.90 2.04 2r51A1 ARG 131 HB3 0.05 -0.07 0.04 -0.04 1.80 1.78 2r51A1 ARG 131 HG2 0.02 -0.04 -0.40 -0.04 1.67 1.21 2r51A1 ARG 131 HG3 0.04 0.07 -0.23 -0.04 1.67 1.51 2r51A1 ARG 131 HD2 0.01 -0.01 -0.17 -0.04 3.22 3.01 2r51A1 ARG 131 HD3 0.09 0.00 -0.16 -0.04 3.22 3.12 2r51A1 ALA 132 H 0.02 0.72 0.28 -0.55 8.40 8.87 2r51A1 ALA 132 HA -0.05 0.23 0.96 -0.75 4.34 4.72 2r51A1 ALA 132 HB3 -0.00 -0.02 0.03 -0.04 1.41 1.38 2r51A1 THR 133 H -0.05 0.52 0.29 -0.55 8.28 8.50 2r51A1 THR 133 HA -0.02 0.34 0.99 -0.75 4.39 4.94 2r51A1 THR 133 HB -0.03 -0.05 0.00 -0.04 4.32 4.19 2r51A1 THR 133 HG23 -0.02 -0.01 -0.31 -0.04 1.22 0.84 2r51A1 ILE 134 H -0.03 0.67 0.23 -0.55 8.25 8.57 2r51A1 ILE 134 HA -0.10 0.21 0.95 -0.75 4.18 4.48 2r51A1 ILE 134 HB -0.02 -0.08 0.19 -0.04 1.89 1.94 2r51A1 ILE 134 HG12 -0.14 -0.00 -0.06 -0.04 1.49 1.25 2r51A1 ILE 134 HG13 -0.05 -0.02 -0.16 -0.04 1.21 0.93 2r51A1 ILE 134 HG23 -0.06 0.01 -0.17 -0.04 0.93 0.67 2r51A1 ILE 134 HD13 -0.01 0.00 -0.10 -0.04 0.88 0.73 2r51A1 SER 135 H -0.02 0.70 0.09 -0.55 8.46 8.69 2r51A1 SER 135 HA 0.01 0.05 0.57 -0.75 4.49 4.37 2r51A1 SER 135 HB2 0.03 -0.12 -0.19 -0.04 3.95 3.63 2r51A1 SER 135 HB3 0.02 0.04 -0.07 -0.04 3.93 3.88 2r51A1 ARG 136 H 0.02 0.23 0.04 -0.55 8.46 8.20 2r51A1 ARG 136 HA 0.04 0.09 0.58 -0.75 4.34 4.29 2r51A1 ARG 136 HB2 0.02 0.12 -0.28 -0.04 1.90 1.72 2r51A1 ARG 136 HB3 0.03 -0.10 0.05 -0.04 1.80 1.73 2r51A1 ARG 136 HG2 0.06 0.11 -0.03 -0.04 1.67 1.78 2r51A1 ARG 136 HG3 0.03 -0.02 -0.38 -0.04 1.67 1.26 2r51A1 ARG 136 HD2 0.03 -0.02 -0.05 -0.04 3.22 3.13 2r51A1 ARG 136 HD3 0.02 0.03 0.00 -0.04 3.22 3.23 2r51A1 ARG 137 H 0.02 0.15 0.02 -0.55 8.46 8.09 2r51A1 ARG 137 HA 0.01 0.09 0.43 -0.75 4.34 4.11 2r51A1 ARG 137 HB2 0.01 -0.06 0.11 -0.04 1.90 1.92 2r51A1 ARG 137 HB3 0.00 0.04 -0.02 -0.04 1.80 1.79 2r51A1 ARG 137 HG2 0.00 -0.03 -0.02 -0.04 1.67 1.59 2r51A1 ARG 137 HG3 0.00 0.01 0.00 -0.04 1.67 1.64 2r51A1 ARG 137 HD2 -0.00 0.00 -0.02 -0.04 3.22 3.16 2r51A1 ARG 137 HD3 0.00 -0.00 -0.01 -0.04 3.22 3.17 2r51A1 LEU 138 H 0.01 -0.00 -0.17 -0.55 8.37 7.66 2r51A1 LEU 138 HA 0.00 0.12 0.46 -0.75 4.35 4.18 2r51A1 LEU 138 HB2 0.01 -0.02 0.14 -0.04 1.64 1.72 2r51A1 LEU 138 HB3 0.01 0.04 0.10 -0.04 1.64 1.74 2r51A1 LEU 138 HG 0.00 -0.04 -0.04 -0.04 1.64 1.53 2r51A1 LEU 138 HD13 0.01 0.00 0.02 -0.04 0.93 0.92 2r51A1 LEU 138 HD23 0.00 0.01 -0.01 -0.04 0.89 0.86 2r51A1 ASN 139 H 0.01 0.13 0.05 -0.55 8.53 8.17 2r51A1 ASN 139 HA 0.00 0.20 0.92 -0.75 4.76 5.13 2r51A1 ASN 139 HB2 0.00 -0.03 0.07 -0.04 2.88 2.89 2r51A1 ASN 139 HB3 0.00 0.09 0.04 -0.04 2.79 2.88 2r51A1 ASN 139 HD21 -0.00 -0.02 -0.05 -0.04 7.03 6.92 2r51A1 ASN 139 HD22 -0.00 0.03 0.00 -0.04 7.74 7.73 2r51A1 ASP 140 H 0.00 0.13 0.09 -0.55 8.40 8.08 2r51A1 ASP 140 HA 0.01 0.04 0.54 -0.75 4.63 4.46 2r51A1 ASP 140 HB2 -0.00 -0.03 0.02 -0.04 2.71 2.65 2r51A1 ASP 140 HB3 -0.00 0.09 -0.09 -0.04 2.70 2.65 2r51A1 VAL 141 H 0.00 0.36 0.24 -0.55 8.24 8.29 2r51A1 VAL 141 HA 0.00 0.15 0.84 -0.75 4.13 4.37 2r51A1 VAL 141 HB -0.00 -0.11 0.18 -0.04 2.12 2.15 2r51A1 VAL 141 HG13 0.01 0.02 -0.08 -0.04 0.97 0.88 2r51A1 VAL 141 HG23 0.01 0.01 0.01 -0.04 0.95 0.95 2r51A1 VAL 142 H -0.00 0.24 0.08 -0.55 8.24 8.00 2r51A1 VAL 142 HA -0.01 0.30 1.02 -0.75 4.13 4.69 2r51A1 VAL 142 HB -0.02 -0.01 0.04 -0.04 2.12 2.10 2r51A1 VAL 142 HG13 -0.01 -0.01 -0.22 -0.04 0.97 0.68 2r51A1 VAL 142 HG23 -0.01 -0.00 -0.24 -0.04 0.95 0.65 2r51A1 LYS 143 H 0.00 0.76 0.28 -0.55 8.42 8.91 2r51A1 LYS 143 HA 0.01 0.12 0.79 -0.75 4.32 4.48 2r51A1 LYS 143 HB2 0.02 0.07 0.08 -0.04 1.87 1.99 2r51A1 LYS 143 HB3 0.02 -0.05 0.02 -0.04 1.79 1.74 2r51A1 LYS 143 HG2 0.05 -0.12 -0.22 -0.04 1.46 1.13 2r51A1 LYS 143 HG3 0.05 0.00 -0.39 -0.04 1.46 1.08 2r51A1 LYS 143 HD2 0.05 0.42 0.15 -0.04 1.69 2.26 2r51A1 LYS 143 HD3 0.06 -0.09 0.02 -0.04 1.68 1.64 2r51A1 LYS 143 HE2 0.03 0.14 0.11 -0.04 2.99 3.23 2r51A1 LYS 143 HE3 0.02 -0.03 0.14 -0.04 2.99 3.09 2r51A1 GLU 144 H -0.00 0.19 0.06 -0.55 8.60 8.30 2r51A1 GLU 144 HA 0.07 0.39 1.03 -0.75 4.29 5.02 2r51A1 GLU 144 HB2 -0.10 -0.02 0.05 -0.04 2.09 1.98 2r51A1 GLU 144 HB3 -0.10 0.07 0.06 -0.04 1.99 1.99 2r51A1 GLU 144 HG2 0.05 0.02 -0.10 -0.04 2.34 2.27 2r51A1 GLU 144 HG3 -0.06 -0.08 -0.25 -0.04 2.34 1.91 2r51A1 ASP 146 HA 0.13 -0.03 0.49 -0.75 4.63 4.47 2r51A1 ASP 146 HB2 0.09 -0.05 0.10 -0.04 2.71 2.81 2r51A1 ASP 146 HB3 -0.24 0.04 -0.03 -0.04 2.70 2.43 2r51A1 ILE 147 H 0.09 0.41 0.18 -0.55 8.25 8.38 2r51A1 ILE 147 HA 0.26 0.16 0.60 -0.75 4.18 4.44 2r51A1 ILE 147 HB 0.32 0.12 0.05 -0.04 1.89 2.34 2r51A1 ILE 147 HG12 0.04 -0.06 -0.21 -0.04 1.49 1.22 2r51A1 ILE 147 HG13 0.06 -0.03 -0.24 -0.04 1.21 0.95 2r51A1 ILE 147 HG23 0.22 -0.03 -0.15 -0.04 0.93 0.93 2r51A1 ILE 147 HD13 -0.06 0.00 -0.34 -0.04 0.88 0.43 2r51A1 VAL 148 H 0.16 0.74 0.24 -0.55 8.24 8.83 2r51A1 VAL 148 HA -0.04 0.06 0.89 -0.75 4.13 4.28 2r51A1 VAL 148 HB -0.01 0.05 -0.02 -0.04 2.12 2.11 2r51A1 VAL 148 HG13 -0.07 -0.01 -0.16 -0.04 0.97 0.69 2r51A1 VAL 148 HG23 -0.29 0.00 -0.18 -0.04 0.95 0.44 2r51A1 VAL 149 H 0.05 0.12 0.22 -0.55 8.24 8.08 2r51A1 VAL 149 HA -0.15 0.39 1.00 -0.75 4.13 4.62 2r51A1 VAL 149 HB -0.09 -0.03 0.11 -0.04 2.12 2.08 2r51A1 VAL 149 HG13 -0.01 -0.02 -0.26 -0.04 0.97 0.64 2r51A1 VAL 149 HG23 -0.70 -0.01 -0.23 -0.04 0.95 -0.04 2r51A1 HIS 150 H -0.23 0.47 0.27 -0.55 8.41 8.37 2r51A1 HIS 150 HA 0.10 0.17 0.89 -0.75 4.63 5.04 2r51A1 HIS 150 HB2 -0.06 -0.01 -0.01 -0.04 3.26 3.14 2r51A1 HIS 150 HB3 0.16 0.00 -0.05 -0.04 3.20 3.27 2r51A1 HIS 150 HD2 0.10 0.20 -0.10 -0.04 6.97 7.12 2r51A1 HIS 150 HE1 0.09 -0.00 -0.03 -0.04 7.75 7.77 2r51A1 THR 151 H 0.23 0.23 0.11 -0.55 8.28 8.31 2r51A1 THR 151 HA 0.22 0.09 0.81 -0.75 4.39 4.76 2r51A1 THR 151 HB 0.18 -0.01 0.15 -0.04 4.32 4.60 2r51A1 THR 151 HG23 0.13 0.03 -0.05 -0.04 1.22 1.29 2r51A1 LEU 152 H 0.21 0.11 0.14 -0.55 8.37 8.29 2r51A1 LEU 152 HA 0.22 0.24 0.86 -0.75 4.35 4.92 2r51A1 LEU 152 HB2 0.10 -0.03 0.03 -0.04 1.64 1.70 2r51A1 LEU 152 HB3 0.15 0.02 0.06 -0.04 1.64 1.83 2r51A1 LEU 152 HG 0.24 -0.02 -0.08 -0.04 1.64 1.74 2r51A1 LEU 152 HD13 -0.11 -0.03 -0.03 -0.04 0.93 0.71 2r51A1 LEU 152 HD23 0.25 0.02 -0.36 -0.04 0.89 0.76 2r51A1 SER 153 H 0.35 0.66 0.38 -0.55 8.46 9.30 2r51A1 SER 153 HA 0.01 0.14 0.61 -0.75 4.49 4.50 2r51A1 SER 153 HB2 0.12 -0.05 -0.13 -0.04 3.95 3.85 2r51A1 SER 153 HB3 -0.11 0.04 0.12 -0.04 3.93 3.93 2r51A1 THR 154 H -0.31 0.28 0.17 -0.55 8.28 7.87 2r51A1 THR 154 HA -0.17 0.11 0.61 -0.75 4.39 4.19 2r51A1 THR 154 HB -0.10 0.07 0.03 -0.04 4.32 4.28 2r51A1 THR 154 HG23 0.02 -0.01 -0.10 -0.04 1.22 1.08 2r51A1 TYR 155 H -0.57 0.23 0.08 -0.55 8.29 7.48 2r51A1 TYR 155 HA -0.39 0.24 0.85 -0.75 4.56 4.50 2r51A1 TYR 155 HB2 -1.20 -0.05 -0.06 -0.04 3.06 1.72 2r51A1 TYR 155 HB3 -0.42 0.00 -0.01 -0.04 2.98 2.51 2r51A1 TYR 155 HD2 -1.53 -0.05 -0.18 -0.04 7.15 5.35 2r51A1 TYR 155 HE2 -0.23 -0.01 -0.09 -0.04 6.85 6.49 2r51A1 PRO 156 HA -0.04 0.03 0.36 -0.51 4.44 4.28 2r51A1 PRO 156 HB2 -0.01 -0.14 0.21 -0.04 2.28 2.30 2r51A1 PRO 156 HB3 -0.02 0.02 0.10 -0.04 2.02 2.08 2r51A1 PRO 156 HG2 0.01 0.03 0.11 -0.04 2.03 2.14 2r51A1 PRO 156 HG3 -0.03 0.06 0.11 -0.04 2.03 2.12 2r51A1 PRO 156 HD2 0.02 0.10 0.25 -0.04 3.68 4.01 2r51A1 PRO 156 HD3 -0.13 0.15 0.14 -0.04 3.65 3.77 2r51A1 GLU 157 H 0.05 0.27 0.16 -0.55 8.60 8.53 2r51A1 GLU 157 HA -0.00 -0.03 0.30 -0.75 4.29 3.80 2r51A1 GLU 157 HB2 -0.00 0.12 -0.01 -0.04 2.09 2.16 2r51A1 GLU 157 HB3 -0.01 -0.02 0.04 -0.04 1.99 1.96 2r51A1 GLU 157 HG2 0.07 0.01 -0.09 -0.04 2.34 2.28 2r51A1 GLU 157 HG3 0.07 0.04 -0.40 -0.04 2.34 2.01 2r51A1 LEU 158 H -0.01 0.10 0.10 -0.55 8.37 8.01 2r51A1 LEU 158 HA 0.00 0.30 1.01 -0.75 4.35 4.91 2r51A1 LEU 158 HB2 -0.01 -0.00 0.04 -0.04 1.64 1.62 2r51A1 LEU 158 HB3 -0.01 -0.06 0.11 -0.04 1.64 1.64 2r51A1 LEU 158 HG -0.01 -0.02 -0.11 -0.04 1.64 1.47 2r51A1 LEU 158 HD13 -0.01 0.00 0.00 -0.04 0.93 0.89 2r51A1 LEU 158 HD23 0.01 0.03 -0.16 -0.04 0.89 0.73 2r51A1 ASN 159 H -0.01 0.13 0.12 -0.55 8.53 8.22 2r51A1 ASN 159 HA -0.02 0.14 0.38 -0.75 4.76 4.51 2r51A1 ASN 159 HB2 -0.01 -0.00 0.25 -0.04 2.88 3.07 2r51A1 ASN 159 HB3 -0.01 0.04 0.10 -0.04 2.79 2.88 2r51A1 ASN 159 HD21 0.00 0.02 0.07 -0.04 7.03 7.08 2r51A1 ASN 159 HD22 -0.01 0.00 0.11 -0.04 7.74 7.80 2r51A1 SER 160 H -0.05 0.45 0.32 -0.55 8.46 8.63 2r51A1 SER 160 HA -0.05 0.09 0.83 -0.75 4.49 4.60 2r51A1 SER 160 HB2 -0.05 0.01 0.10 -0.04 3.95 3.96 2r51A1 SER 160 HB3 -0.05 -0.08 -0.06 -0.04 3.93 3.70 2r51A1 SER 161 H -0.07 0.06 0.02 -0.55 8.46 7.92 2r51A1 SER 161 HA -0.15 0.18 0.52 -0.75 4.49 4.28 2r51A1 SER 161 HB2 -0.12 0.08 0.00 -0.04 3.95 3.88 2r51A1 SER 161 HB3 -0.07 -0.07 0.06 -0.04 3.93 3.80 2r51A1 ILE 162 H -0.44 0.75 0.34 -0.55 8.25 8.35 2r51A1 ILE 162 HA -0.24 0.14 0.84 -0.75 4.18 4.17 2r51A1 ILE 162 HB -1.39 -0.04 -0.02 -0.04 1.89 0.40 2r51A1 ILE 162 HG12 -0.38 -0.01 -0.34 -0.04 1.49 0.72 2r51A1 ILE 162 HG13 -0.27 0.02 -0.34 -0.04 1.21 0.58 2r51A1 ILE 162 HG23 -0.19 0.02 -0.02 -0.04 0.93 0.70 2r51A1 ILE 162 HD13 -0.15 0.01 -0.21 -0.04 0.88 0.49 2r51A1 LYS 163 H -0.14 0.19 0.10 -0.55 8.42 8.02 2r51A1 LYS 163 HA -0.12 0.36 0.99 -0.75 4.32 4.80 2r51A1 LYS 163 HB2 -0.04 -0.01 0.05 -0.04 1.87 1.83 2r51A1 LYS 163 HB3 0.00 0.04 0.02 -0.04 1.79 1.80 2r51A1 LYS 163 HG2 -0.07 0.04 -0.17 -0.04 1.46 1.22 2r51A1 LYS 163 HG3 -0.09 -0.01 -0.26 -0.04 1.46 1.06 2r51A1 LYS 163 HD2 -0.02 0.01 -0.08 -0.04 1.69 1.56 2r51A1 LYS 163 HD3 -0.07 -0.02 -0.10 -0.04 1.68 1.46 2r51A1 LYS 163 HE2 -0.04 0.01 -0.06 -0.04 2.99 2.86 2r51A1 LYS 163 HE3 -0.02 -0.01 -0.06 -0.04 2.99 2.85 2r51A1 GLU 165 HA 0.16 0.01 0.43 -0.75 4.29 4.14 2r51A1 GLU 165 HB2 0.07 -0.04 -0.05 -0.04 2.09 2.04 2r51A1 GLU 165 HB3 0.16 -0.00 -0.08 -0.04 1.99 2.03 2r51A1 GLU 165 HG2 0.09 -0.01 -0.43 -0.04 2.34 1.95 2r51A1 GLU 165 HG3 0.07 0.00 -0.09 -0.04 2.34 2.28 2r51A1 VAL 166 H 0.15 0.57 0.25 -0.55 8.24 8.66 2r51A1 VAL 166 HA 0.09 0.20 0.63 -0.75 4.13 4.30 2r51A1 VAL 166 HB 0.09 -0.07 0.12 -0.04 2.12 2.22 2r51A1 VAL 166 HG13 0.06 -0.02 -0.22 -0.04 0.97 0.74 2r51A1 VAL 166 HG23 0.12 0.03 -0.13 -0.04 0.95 0.93 2r51A1 GLY 167 H 0.04 0.27 -0.04 -0.55 8.43 8.15 2r51A1 GLY 167 HA2 -0.03 0.29 1.02 -0.51 4.01 4.77 2r51A1 GLY 167 HA3 -0.10 -0.01 0.26 -0.51 4.01 3.65 2r51A1 ILE 168 H 0.01 0.64 0.22 -0.55 8.25 8.57 2r51A1 ILE 168 HA 0.02 0.16 0.82 -0.75 4.18 4.43 2r51A1 ILE 168 HB 0.03 -0.11 0.10 -0.04 1.89 1.87 2r51A1 ILE 168 HG12 0.08 0.09 -0.04 -0.04 1.49 1.59 2r51A1 ILE 168 HG13 0.07 -0.06 -0.30 -0.04 1.21 0.88 2r51A1 ILE 168 HG23 0.04 0.04 -0.10 -0.04 0.93 0.87 2r51A1 ILE 168 HD13 0.20 0.00 -0.08 -0.04 0.88 0.96 2r51A1 GLU 169 H -0.00 0.18 0.03 -0.55 8.60 8.27 2r51A1 GLU 169 HA -0.02 -0.02 0.32 -0.75 4.29 3.83 2r51A1 GLU 169 HB2 -0.01 0.03 0.11 -0.04 2.09 2.18 2r51A1 GLU 169 HB3 -0.00 0.02 0.12 -0.04 1.99 2.08 2r51A1 GLU 169 HG2 0.00 0.03 -0.19 -0.04 2.34 2.14 2r51A1 GLU 169 HG3 -0.01 -0.03 0.02 -0.04 2.34 2.28 2r51A1 ASP 170 H 0.01 0.10 0.18 -0.55 8.40 8.14 2r51A1 ASP 170 HA 0.02 0.00 0.30 -0.75 4.63 4.19 2r51A1 ASP 170 HB2 0.01 0.23 -0.02 -0.04 2.71 2.89 2r51A1 ASP 170 HB3 0.01 0.00 0.17 -0.04 2.70 2.85 2r51A1 CYS 171 H 0.02 0.33 -0.09 -0.55 8.50 8.21 2r51A1 CYS 171 HA 0.02 0.19 0.97 -0.75 4.58 5.01 2r51A1 CYS 171 HB2 0.02 0.07 -0.16 -0.04 2.97 2.86 2r51A1 CYS 171 HB3 0.02 -0.09 -0.11 -0.04 2.97 2.75 2r51A1 LEU 172 H 0.03 0.40 0.16 -0.55 8.37 8.41 2r51A1 LEU 172 HA 0.04 0.28 0.77 -0.75 4.35 4.69 2r51A1 LEU 172 HB2 -0.03 -0.03 -0.41 -0.04 1.64 1.13 2r51A1 LEU 172 HB3 -0.00 -0.10 -0.01 -0.04 1.64 1.49 2r51A1 LEU 172 HG -0.00 0.03 -0.11 -0.04 1.64 1.52 2r51A1 LEU 172 HD13 -0.03 0.05 0.12 -0.04 0.93 1.03 2r51A1 LEU 172 HD23 -0.28 -0.01 -0.13 -0.04 0.89 0.43 2r51A1 HIS 173 H 0.14 0.77 0.29 -0.55 8.41 9.07 2r51A1 HIS 173 HA 0.04 0.36 0.66 -0.75 4.63 4.93 2r51A1 HIS 173 HB2 0.03 -0.00 0.02 -0.04 3.26 3.26 2r51A1 HIS 173 HB3 0.04 -0.13 0.16 -0.04 3.20 3.22 2r51A1 HIS 173 HD2 0.04 0.18 -0.14 -0.04 6.97 7.01 2r51A1 HIS 173 HE1 -0.00 0.00 -0.06 -0.04 7.75 7.64 2r51A1 ILE 174 H 0.22 0.65 0.27 -0.55 8.25 8.83 2r51A1 ILE 174 HA 0.07 0.23 1.03 -0.75 4.18 4.76 2r51A1 ILE 174 HB 0.11 -0.03 0.11 -0.04 1.89 2.04 2r51A1 ILE 174 HG12 0.38 0.03 -0.03 -0.04 1.49 1.83 2r51A1 ILE 174 HG13 0.15 -0.10 -0.26 -0.04 1.21 0.96 2r51A1 ILE 174 HG23 0.07 0.01 -0.19 -0.04 0.93 0.78 2r51A1 ILE 174 HD13 0.13 0.01 -0.08 -0.04 0.88 0.89 2r51A1 GLU 175 H -0.00 0.73 0.35 -0.55 8.60 9.13 2r51A1 GLU 175 HA 0.14 0.17 1.04 -0.75 4.29 4.89 2r51A1 GLU 175 HB2 -0.02 -0.00 -0.13 -0.04 2.09 1.89 2r51A1 GLU 175 HB3 0.04 -0.02 0.12 -0.04 1.99 2.08 2r51A1 GLU 175 HG2 0.13 -0.01 -0.35 -0.04 2.34 2.07 2r51A1 GLU 175 HG3 0.08 0.06 -0.00 -0.04 2.34 2.43 2r51A1 PHE 176 H 0.24 0.27 0.17 -0.55 8.34 8.46 2r51A1 PHE 176 HA 0.02 0.29 1.10 -0.75 4.62 5.27 2r51A1 PHE 176 HB2 0.01 -0.01 -0.04 -0.04 3.15 3.07 2r51A1 PHE 176 HB3 0.08 0.02 0.09 -0.04 3.06 3.20 2r51A1 PHE 176 HD2 -0.00 0.04 -0.20 -0.04 7.28 7.08 2r51A1 PHE 176 HE2 -0.29 -0.05 -0.19 -0.04 7.38 6.81 2r51A1 PHE 176 HZ -0.29 -0.05 -0.22 -0.04 7.32 6.72 2r51A1 GLU 177 H 0.07 0.67 0.33 -0.55 8.60 9.11 2r51A1 GLU 177 HA -0.20 0.36 1.17 -0.75 4.29 4.87 2r51A1 GLU 177 HB2 0.07 -0.06 -0.03 -0.04 2.09 2.03 2r51A1 GLU 177 HB3 0.14 -0.04 0.12 -0.04 1.99 2.17 2r51A1 GLU 177 HG2 -0.06 -0.03 -0.16 -0.04 2.34 2.06 2r51A1 GLU 177 HG3 -0.13 0.15 -0.05 -0.04 2.34 2.27 2r51A1 TYR 178 H -0.48 0.68 0.40 -0.55 8.29 8.33 2r51A1 TYR 178 HA -0.19 0.28 0.95 -0.75 4.56 4.86 2r51A1 TYR 178 HB2 -0.10 -0.11 0.05 -0.04 3.06 2.86 2r51A1 TYR 178 HB3 -0.67 0.01 -0.22 -0.04 2.98 2.07 2r51A1 TYR 178 HD2 -0.51 -0.05 -0.19 -0.04 7.15 6.36 2r51A1 TYR 178 HE2 0.02 0.08 -0.06 -0.04 6.85 6.85 2r51A1 ASN 179 H 0.19 0.20 0.29 -0.55 8.53 8.66 2r51A1 ASN 179 HA -0.06 0.06 0.27 -0.75 4.76 4.28 2r51A1 ASN 179 HB2 0.01 -0.03 0.08 -0.04 2.88 2.90 2r51A1 ASN 179 HB3 0.03 0.06 0.11 -0.04 2.79 2.95 2r51A1 ASN 179 HD21 0.13 0.06 0.10 -0.04 7.03 7.27 2r51A1 ASN 179 HD22 0.05 -0.01 0.02 -0.04 7.74 7.75 2r51A1 LYS 180 H 0.14 0.12 0.09 -0.55 8.42 8.21 2r51A1 LYS 180 HA -0.16 0.32 0.88 -0.75 4.32 4.61 2r51A1 LYS 180 HB2 -0.87 0.05 -0.03 -0.04 1.87 0.97 2r51A1 LYS 180 HB3 -0.26 -0.02 0.20 -0.04 1.79 1.67 2r51A1 LYS 180 HG2 -0.14 0.11 -0.37 -0.04 1.46 1.02 2r51A1 LYS 180 HG3 -0.33 -0.11 -0.08 -0.04 1.46 0.90 2r51A1 LYS 180 HD2 -0.39 0.23 0.13 -0.04 1.69 1.62 2r51A1 LYS 180 HD3 -0.09 -0.01 0.01 -0.04 1.68 1.56 2r51A1 LYS 180 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 2r51A1 LYS 180 HE3 0.04 -0.01 0.04 -0.04 2.99 3.01 2r51A1 SER 181 H -0.13 0.18 0.19 -0.55 8.46 8.15 2r51A1 SER 181 HA 0.11 0.22 0.90 -0.75 4.49 4.97 2r51A1 SER 181 HB2 -0.00 0.04 0.20 -0.04 3.95 4.15 2r51A1 SER 181 HB3 -0.05 0.04 0.11 -0.04 3.93 3.98 2r51A1 LYS 182 H -0.26 0.12 -0.03 -0.55 8.42 7.69 2r51A1 LYS 182 HA 0.03 0.26 0.93 -0.75 4.32 4.79 2r51A1 LYS 182 HB2 -0.11 -0.07 -0.01 -0.04 1.87 1.64 2r51A1 LYS 182 HB3 -0.10 0.07 -0.04 -0.04 1.79 1.69 2r51A1 LYS 182 HG2 -0.15 0.10 -0.20 -0.04 1.46 1.17 2r51A1 LYS 182 HG3 -0.17 -0.12 -0.21 -0.04 1.46 0.92 2r51A1 LYS 182 HD2 -0.46 -0.04 -0.04 -0.04 1.69 1.10 2r51A1 LYS 182 HD3 -1.19 0.03 -0.07 -0.04 1.68 0.41 2r51A1 LYS 182 HE2 -0.08 -0.00 -0.02 -0.04 2.99 2.85 2r51A1 LYS 182 HE3 -0.18 0.03 -0.03 -0.04 2.99 2.77 2r51A1 TYR 183 H 0.19 0.72 0.29 -0.55 8.29 8.94 2r51A1 TYR 183 HA -0.03 0.09 0.90 -0.75 4.56 4.76 2r51A1 TYR 183 HB2 -0.12 0.02 -0.07 -0.04 3.06 2.85 2r51A1 TYR 183 HB3 -0.21 0.06 -0.07 -0.04 2.98 2.72 2r51A1 TYR 183 HD2 -0.06 -0.02 -0.22 -0.04 7.15 6.81 2r51A1 TYR 183 HE2 0.07 0.13 -0.01 -0.04 6.85 7.00 2r51A1 HIS 184 H -0.49 0.06 0.15 -0.55 8.41 7.58 2r51A1 HIS 184 HA -0.97 0.51 0.93 -0.75 4.63 4.35 2r51A1 HIS 184 HB2 -0.76 -0.12 0.28 -0.04 3.26 2.61 2r51A1 HIS 184 HB3 -2.20 0.02 0.04 -0.04 3.20 1.01 2r51A1 HIS 184 HD2 -0.24 0.04 0.04 -0.04 6.97 6.78 2r51A1 HIS 184 HE1 -0.06 0.10 -0.17 -0.04 7.75 7.58 2r51A1 LEU 185 H -0.10 0.13 0.23 -0.55 8.37 8.08 2r51A1 LEU 185 HA -0.15 0.16 -0.09 -0.75 4.35 3.51 2r51A1 LEU 185 HB2 -0.04 -0.02 0.04 -0.04 1.64 1.58 2r51A1 LEU 185 HB3 -0.05 0.13 0.01 -0.04 1.64 1.68 2r51A1 LEU 185 HG -0.08 0.00 -0.13 -0.04 1.64 1.39 2r51A1 LEU 185 HD13 -0.04 0.04 -0.11 -0.04 0.93 0.78 2r51A1 LEU 185 HD23 -0.11 -0.01 -0.45 -0.04 0.89 0.28 2r51A1 LYS 186 H -0.06 -0.02 -0.25 -0.55 8.42 7.54 2r51A1 LYS 186 HA -0.02 0.17 0.71 -0.75 4.32 4.43 2r51A1 LYS 186 HB2 0.11 -0.04 0.02 -0.04 1.87 1.92 2r51A1 LYS 186 HB3 0.04 0.01 0.15 -0.04 1.79 1.96 2r51A1 LYS 186 HG2 0.02 0.13 -0.03 -0.04 1.46 1.54 2r51A1 LYS 186 HG3 0.03 -0.10 -0.28 -0.04 1.46 1.07 2r51A1 LYS 186 HD2 0.05 -0.01 -0.01 -0.04 1.69 1.68 2r51A1 LYS 186 HD3 0.05 -0.02 0.01 -0.04 1.68 1.68 2r51A1 LYS 186 HE2 0.04 0.03 0.00 -0.04 2.99 3.02 2r51A1 LYS 186 HE3 0.04 -0.02 0.01 -0.04 2.99 2.98 2r51A1 ASP 187 H -0.43 0.22 -0.28 -0.55 8.40 7.37 2r51A1 ASP 187 HA -0.28 0.08 0.44 -0.75 4.63 4.12 2r51A1 ASP 187 HB2 -0.88 -0.02 0.08 -0.04 2.71 1.86 2r51A1 ASP 187 HB3 -0.18 0.07 -0.06 -0.04 2.70 2.49 2r51A1 VAL 188 H -0.06 0.20 0.16 -0.55 8.24 7.99 2r51A1 VAL 188 HA -0.24 0.29 0.98 -0.75 4.13 4.41 2r51A1 VAL 188 HB -0.10 -0.04 0.04 -0.04 2.12 1.98 2r51A1 VAL 188 HG13 -0.58 0.01 -0.31 -0.04 0.97 0.04 2r51A1 VAL 188 HG23 0.04 -0.00 -0.14 -0.04 0.95 0.80 2r51A1 ILE 189 H -0.34 0.62 0.20 -0.55 8.25 8.18 2r51A1 ILE 189 HA -0.29 0.09 0.80 -0.75 4.18 4.03 2r51A1 ILE 189 HB -0.33 -0.08 0.12 -0.04 1.89 1.57 2r51A1 ILE 189 HG12 -1.67 0.01 -0.14 -0.04 1.49 -0.35 2r51A1 ILE 189 HG13 -0.55 0.05 -0.06 -0.04 1.21 0.61 2r51A1 ILE 189 HG23 -0.18 0.01 -0.17 -0.04 0.93 0.55 2r51A1 ILE 189 HD13 -0.49 0.01 -0.13 -0.04 0.88 0.24 2r51A1 VAL 190 H 0.08 0.15 0.19 -0.55 8.24 8.11 2r51A1 VAL 190 HA -0.08 0.29 0.94 -0.75 4.13 4.53 2r51A1 VAL 190 HB 0.03 -0.07 0.18 -0.04 2.12 2.21 2r51A1 VAL 190 HG13 -0.01 0.02 -0.02 -0.04 0.97 0.92 2r51A1 VAL 190 HG23 -0.04 0.03 -0.10 -0.04 0.95 0.80 2r51A1 GLY 191 H -0.01 0.84 0.45 -0.55 8.43 9.17 2r51A1 GLY 191 HA2 0.00 0.12 0.83 -0.51 4.01 4.45 2r51A1 GLY 191 HA3 0.09 0.00 0.41 -0.51 4.01 4.00 2r51A1 LYS 192 H 0.03 0.63 0.38 -0.55 8.42 8.90 2r51A1 LYS 192 HA -0.09 0.22 0.72 -0.75 4.32 4.41 2r51A1 LYS 192 HB2 -0.12 0.01 -0.14 -0.04 1.87 1.58 2r51A1 LYS 192 HB3 -0.36 -0.06 0.00 -0.04 1.79 1.33 2r51A1 LYS 192 HG2 -1.00 0.02 -0.30 -0.04 1.46 0.14 2r51A1 LYS 192 HG3 -0.29 0.04 -0.38 -0.04 1.46 0.79 2r51A1 LYS 192 HD2 -0.11 -0.02 -0.10 -0.04 1.69 1.42 2r51A1 LYS 192 HD3 -0.35 -0.02 -0.14 -0.04 1.68 1.13 2r51A1 LYS 192 HE2 -0.16 -0.01 -0.33 -0.04 2.99 2.44 2r51A1 LYS 192 HE3 -0.09 -0.00 -0.13 -0.04 2.99 2.73 2r51A1 ILE 193 H -0.16 0.75 0.29 -0.55 8.25 8.57 2r51A1 ILE 193 HA -0.01 0.21 1.06 -0.75 4.18 4.68 2r51A1 ILE 193 HB -0.31 -0.08 0.15 -0.04 1.89 1.61 2r51A1 ILE 193 HG12 -0.09 0.03 -0.00 -0.04 1.49 1.39 2r51A1 ILE 193 HG13 -0.08 0.03 -0.04 -0.04 1.21 1.08 2r51A1 ILE 193 HG23 -0.30 -0.01 -0.19 -0.04 0.93 0.39 2r51A1 ILE 193 HD13 -0.27 -0.01 -0.11 -0.04 0.88 0.45 2r51A1 TYR 194 H -0.04 0.94 0.38 -0.55 8.29 9.02 2r51A1 TYR 194 HA -0.33 0.24 1.05 -0.75 4.56 4.77 2r51A1 TYR 194 HB2 -0.15 -0.09 0.11 -0.04 3.06 2.89 2r51A1 TYR 194 HB3 -0.13 0.03 -0.08 -0.04 2.98 2.76 2r51A1 TYR 194 HD2 -0.06 0.07 -0.07 -0.04 7.15 7.04 2r51A1 TYR 194 HE2 -0.04 -0.00 -0.08 -0.04 6.85 6.69 2r51A1 PHE 195 H -0.21 0.58 0.14 -0.55 8.34 8.29 2r51A1 PHE 195 HA 0.03 0.09 0.83 -0.75 4.62 4.81 2r51A1 PHE 195 HB2 0.02 0.10 0.10 -0.04 3.15 3.32 2r51A1 PHE 195 HB3 0.01 -0.04 -0.23 -0.04 3.06 2.76 2r51A1 PHE 195 HD2 0.01 0.01 -0.21 -0.04 7.28 7.05 2r51A1 PHE 195 HE2 -0.01 0.00 -0.20 -0.04 7.38 7.13 2r51A1 PHE 195 HZ -0.02 0.04 -0.15 -0.04 7.32 7.15 2r51A1 LEU 196 H 0.01 0.52 0.25 -0.55 8.37 8.60 2r51A1 LEU 196 HA 0.02 0.08 0.68 -0.75 4.35 4.36 2r51A1 LEU 196 HB2 -0.31 0.04 0.10 -0.04 1.64 1.42 2r51A1 LEU 196 HB3 -0.12 -0.03 0.02 -0.04 1.64 1.47 2r51A1 LEU 196 HG -0.13 -0.02 -0.22 -0.04 1.64 1.23 2r51A1 LEU 196 HD13 -0.54 -0.01 -0.11 -0.04 0.93 0.23 2r51A1 LEU 196 HD23 -0.12 0.00 -0.09 -0.04 0.89 0.65 2r51A1 LEU 197 H 0.10 0.50 0.22 -0.55 8.37 8.63 2r51A1 LEU 197 HA 0.06 0.16 0.65 -0.75 4.35 4.47 2r51A1 LEU 197 HB2 0.09 0.11 -0.17 -0.04 1.64 1.63 2r51A1 LEU 197 HB3 0.13 -0.12 -0.04 -0.04 1.64 1.57 2r51A1 LEU 197 HG 0.05 -0.04 -0.55 -0.04 1.64 1.05 2r51A1 LEU 197 HD13 0.04 0.02 -0.10 -0.04 0.93 0.85 2r51A1 LEU 197 HD23 0.05 0.00 -0.22 -0.04 0.89 0.68 2r51A1 VAL 198 H 0.04 0.21 -0.07 -0.55 8.24 7.87 2r51A1 VAL 198 HA 0.02 0.11 0.86 -0.75 4.13 4.36 2r51A1 VAL 198 HB -0.01 -0.04 0.12 -0.04 2.12 2.14 2r51A1 VAL 198 HG13 -0.07 0.09 0.04 -0.04 0.97 0.99 2r51A1 VAL 198 HG23 0.05 -0.02 -0.42 -0.04 0.95 0.52 2r51A1 ARG 199 H 0.01 0.56 0.12 -0.55 8.46 8.60 2r51A1 ARG 199 HA 0.00 0.17 0.96 -0.75 4.34 4.72 2r51A1 ARG 199 HB2 0.01 0.05 0.21 -0.04 1.90 2.13 2r51A1 ARG 199 HB3 0.01 -0.03 0.14 -0.04 1.80 1.87 2r51A1 ARG 199 HG2 0.01 0.01 -0.05 -0.04 1.67 1.60 2r51A1 ARG 199 HG3 0.02 -0.13 -0.16 -0.04 1.67 1.36 2r51A1 ARG 199 HD2 0.02 0.33 0.06 -0.04 3.22 3.59 2r51A1 ARG 199 HD3 0.01 -0.03 0.04 -0.04 3.22 3.20 2r51A1 ILE 200 H -0.02 0.18 0.13 -0.55 8.25 7.99 2r51A1 ILE 200 HA -0.00 0.07 0.63 -0.75 4.18 4.12 2r51A1 ILE 200 HB -0.08 0.00 0.03 -0.04 1.89 1.79 2r51A1 ILE 200 HG12 0.04 0.00 -0.02 -0.04 1.49 1.47 2r51A1 ILE 200 HG13 0.01 0.01 -0.08 -0.04 1.21 1.10 2r51A1 ILE 200 HG23 -0.05 -0.02 -0.20 -0.04 0.93 0.62 2r51A1 ILE 200 HD13 0.00 -0.00 -0.13 -0.04 0.88 0.71 2r51A1 LYS 201 H 0.00 0.09 0.11 -0.55 8.42 8.07 2r51A1 LYS 201 HA -0.03 0.26 0.91 -0.75 4.32 4.71 2r51A1 LYS 201 HB2 0.00 -0.10 0.19 -0.04 1.87 1.92 2r51A1 LYS 201 HB3 -0.01 0.04 -0.01 -0.04 1.79 1.77 2r51A1 LYS 201 HG2 -0.01 0.05 -0.07 -0.04 1.46 1.39 2r51A1 LYS 201 HG3 -0.01 -0.02 0.01 -0.04 1.46 1.41 2r51A1 LYS 201 HD2 -0.03 -0.01 0.03 -0.04 1.69 1.65 2r51A1 LYS 201 HD3 -0.03 0.15 -0.10 -0.04 1.68 1.65 2r51A1 LYS 201 HE2 -0.02 -0.05 -0.00 -0.04 2.99 2.88 2r51A1 LYS 201 HE3 -0.02 0.06 -0.02 -0.04 2.99 2.97 2r51A1 ILE 202 H -0.05 0.30 0.14 -0.55 8.25 8.09 2r51A1 ILE 202 HA -0.01 -0.01 0.48 -0.75 4.18 3.89 2r51A1 ILE 202 HB -0.08 0.06 0.12 -0.04 1.89 1.95 2r51A1 ILE 202 HG12 -0.09 0.09 -0.11 -0.04 1.49 1.33 2r51A1 ILE 202 HG13 -0.08 0.02 -0.06 -0.04 1.21 1.05 2r51A1 ILE 202 HG23 -0.03 0.01 -0.11 -0.04 0.93 0.76 2r51A1 ILE 202 HD13 -0.19 -0.03 -0.26 -0.04 0.88 0.36 2r51A1 LYS 203 H 0.04 0.60 0.39 -0.55 8.42 8.90 2r51A1 LYS 203 HA 0.01 0.18 0.96 -0.75 4.32 4.72 2r51A1 LYS 203 HB2 0.03 -0.03 0.05 -0.04 1.87 1.89 2r51A1 LYS 203 HB3 0.03 -0.07 -0.17 -0.04 1.79 1.54 2r51A1 LYS 203 HG2 0.07 0.09 -0.28 -0.04 1.46 1.29 2r51A1 LYS 203 HG3 0.07 0.01 -0.28 -0.04 1.46 1.22 2r51A1 LYS 203 HD2 0.02 -0.03 -0.06 -0.04 1.69 1.57 2r51A1 LYS 203 HD3 0.03 0.05 -0.13 -0.04 1.68 1.58 2r51A1 LYS 203 HE2 0.02 0.00 -0.06 -0.04 2.99 2.91 2r51A1 LYS 203 HE3 0.03 0.00 -0.12 -0.04 2.99 2.87 2r51A1 HIS 204 H 0.11 0.39 0.19 -0.55 8.41 8.55 2r51A1 HIS 204 HA 0.01 0.27 0.58 -0.75 4.63 4.73 2r51A1 HIS 204 HB2 0.02 0.04 -0.11 -0.04 3.26 3.17 2r51A1 HIS 204 HB3 0.04 -0.06 0.04 -0.04 3.20 3.18 2r51A1 HIS 204 HD2 0.05 -0.03 -0.16 -0.04 6.97 6.78 2r51A1 HIS 204 HE1 -0.00 -0.05 0.04 -0.04 7.75 7.70 2r51A1 GLU 206 HA -0.06 -0.04 0.43 -0.75 4.29 3.86 2r51A1 GLU 206 HB2 0.02 0.02 -0.18 -0.04 2.09 1.91 2r51A1 GLU 206 HB3 -0.14 -0.10 0.07 -0.04 1.99 1.78 2r51A1 GLU 206 HG2 0.02 0.01 -0.07 -0.04 2.34 2.27 2r51A1 GLU 206 HG3 0.01 -0.01 -0.32 -0.04 2.34 1.99 2r51A1 ILE 207 H 0.03 0.67 0.27 -0.55 8.25 8.67 2r51A1 ILE 207 HA -0.11 0.28 0.88 -0.75 4.18 4.48 2r51A1 ILE 207 HB -0.20 -0.05 0.10 -0.04 1.89 1.69 2r51A1 ILE 207 HG12 -0.52 -0.01 -0.06 -0.04 1.49 0.86 2r51A1 ILE 207 HG13 -0.26 0.05 -0.30 -0.04 1.21 0.65 2r51A1 ILE 207 HG23 -0.27 -0.02 -0.23 -0.04 0.93 0.37 2r51A1 ILE 207 HD13 -0.82 -0.01 -0.13 -0.04 0.88 -0.13 2r51A1 ASP 208 H -0.06 0.70 0.30 -0.55 8.40 8.78 2r51A1 ASP 208 HA -0.05 0.23 1.11 -0.75 4.63 5.17 2r51A1 ASP 208 HB2 -0.06 -0.07 0.02 -0.04 2.71 2.56 2r51A1 ASP 208 HB3 -0.05 0.06 0.08 -0.04 2.70 2.76 2r51A1 ILE 209 H -0.10 0.43 0.30 -0.55 8.25 8.33 2r51A1 ILE 209 HA -0.02 0.38 1.04 -0.75 4.18 4.83 2r51A1 ILE 209 HB -0.17 -0.09 0.15 -0.04 1.89 1.74 2r51A1 ILE 209 HG12 -0.11 0.04 -0.08 -0.04 1.49 1.29 2r51A1 ILE 209 HG13 -0.14 -0.05 -0.25 -0.04 1.21 0.73 2r51A1 ILE 209 HG23 0.04 0.00 -0.16 -0.04 0.93 0.77 2r51A1 ILE 209 HD13 -0.23 0.00 -0.15 -0.04 0.88 0.46 2r51A1 ILE 210 H 0.09 0.66 0.29 -0.55 8.25 8.73 2r51A1 ILE 210 HA 0.02 0.16 1.08 -0.75 4.18 4.70 2r51A1 ILE 210 HB 0.08 -0.03 0.05 -0.04 1.89 1.95 2r51A1 ILE 210 HG12 -0.01 0.00 -0.25 -0.04 1.49 1.19 2r51A1 ILE 210 HG13 -0.07 0.01 -0.13 -0.04 1.21 0.98 2r51A1 ILE 210 HG23 -0.02 0.00 -0.23 -0.04 0.93 0.64 2r51A1 ILE 210 HD13 -0.07 0.01 -0.15 -0.04 0.88 0.63 2r51A1 LYS 211 H 0.03 0.68 0.37 -0.55 8.42 8.94 2r51A1 LYS 211 HA -0.26 0.26 1.10 -0.75 4.32 4.67 2r51A1 LYS 211 HB2 -0.02 0.00 0.09 -0.04 1.87 1.90 2r51A1 LYS 211 HB3 -0.00 0.00 0.21 -0.04 1.79 1.95 2r51A1 LYS 211 HG2 -0.11 -0.07 -0.27 -0.04 1.46 0.97 2r51A1 LYS 211 HG3 -0.68 0.03 -0.06 -0.04 1.46 0.71 2r51A1 LYS 211 HD2 0.10 -0.02 -0.07 -0.04 1.69 1.67 2r51A1 LYS 211 HD3 0.17 0.03 -0.02 -0.04 1.68 1.81 2r51A1 LYS 211 HE2 0.18 0.08 -0.03 -0.04 2.99 3.17 2r51A1 LYS 211 HE3 0.08 -0.01 -0.03 -0.04 2.99 2.99 2r51A1 ARG 212 H -0.03 0.89 0.37 -0.55 8.46 9.14 2r51A1 ARG 212 HA 0.02 0.27 1.23 -0.75 4.34 5.10 2r51A1 ARG 212 HB2 0.17 -0.05 0.11 -0.04 1.90 2.09 2r51A1 ARG 212 HB3 0.04 0.01 -0.03 -0.04 1.80 1.78 2r51A1 ARG 212 HG2 -0.04 0.00 -0.22 -0.04 1.67 1.38 2r51A1 ARG 212 HG3 0.08 0.04 -0.24 -0.04 1.67 1.51 2r51A1 ARG 212 HD2 -0.45 -0.01 -0.12 -0.04 3.22 2.60 2r51A1 ARG 212 HD3 -0.17 0.01 -0.11 -0.04 3.22 2.90 2r51A1 GLU 213 H 0.04 0.73 0.35 -0.55 8.60 9.18 2r51A1 GLU 213 HA 0.03 0.30 1.03 -0.75 4.29 4.90 2r51A1 GLU 213 HB2 0.09 0.00 -0.01 -0.04 2.09 2.13 2r51A1 GLU 213 HB3 0.06 -0.06 0.15 -0.04 1.99 2.10 2r51A1 GLU 213 HG2 0.08 0.08 -0.23 -0.04 2.34 2.22 2r51A1 GLU 213 HG3 0.14 0.08 -0.01 -0.04 2.34 2.51 2r51A1 THR 214 H 0.05 0.61 0.37 -0.55 8.28 8.76 2r51A1 THR 214 HA -0.12 0.37 1.08 -0.75 4.39 4.97 2r51A1 THR 214 HB -0.00 -0.11 0.13 -0.04 4.32 4.30 2r51A1 THR 214 HG23 -0.20 0.01 -0.11 -0.04 1.22 0.88 2r51A1 THR 215 H -0.06 0.59 0.32 -0.55 8.28 8.59 2r51A1 THR 215 HA 0.09 0.24 1.10 -0.75 4.39 5.07 2r51A1 THR 215 HB 0.11 -0.09 0.03 -0.04 4.32 4.33 2r51A1 THR 215 HG23 0.05 0.07 -0.14 -0.04 1.22 1.15 2r51A1 GLY 216 H 0.05 0.68 0.31 -0.55 8.43 8.92 2r51A1 GLY 216 HA2 -0.01 0.24 1.06 -0.51 4.01 4.79 2r51A1 GLY 216 HA3 -0.01 0.03 0.38 -0.51 4.01 3.90 2r51A1 THR 217 H 0.06 0.72 0.16 -0.55 8.28 8.67 2r51A1 THR 217 HA 0.08 0.07 0.41 -0.75 4.39 4.19 2r51A1 THR 217 HB 0.30 -0.03 -0.01 -0.04 4.32 4.55 2r51A1 THR 217 HG23 0.15 -0.03 -0.19 -0.04 1.22 1.11 2r51A1 GLY 218 H 0.06 0.14 0.08 -0.55 8.43 8.16 2r51A1 GLY 218 HA2 0.04 0.04 0.32 -0.51 4.01 3.90 2r51A1 GLY 218 HA3 0.05 0.09 0.55 -0.51 4.01 4.19 2r51A1 PRO 219 HA -0.02 0.16 0.60 -0.51 4.44 4.66 2r51A1 PRO 219 HB2 -0.03 0.01 0.15 -0.04 2.28 2.37 2r51A1 PRO 219 HB3 -0.01 0.00 0.10 -0.04 2.02 2.07 2r51A1 PRO 219 HG2 -0.01 0.03 0.04 -0.04 2.03 2.05 2r51A1 PRO 219 HG3 0.00 0.01 0.08 -0.04 2.03 2.08 2r51A1 PRO 219 HD2 0.02 0.17 0.22 -0.04 3.68 4.05 2r51A1 PRO 219 HD3 0.02 0.04 0.24 -0.04 3.65 3.91 2r51A1 ASN 220 H -0.04 0.41 -0.54 -0.55 8.53 7.82 2r51A1 ASN 220 HA -0.19 0.19 1.00 -0.75 4.76 5.00 2r51A1 ASN 220 HB2 -0.28 0.08 0.03 -0.04 2.88 2.67 2r51A1 ASN 220 HB3 -0.60 -0.01 0.01 -0.04 2.79 2.16 2r51A1 ASN 220 HD21 -0.07 -0.04 -0.11 -0.04 7.03 6.78 2r51A1 ASN 220 HD22 -0.14 0.05 -0.06 -0.04 7.74 7.55 2r51A1 VAL 221 H -0.34 0.19 0.18 -0.55 8.24 7.72 2r51A1 VAL 221 HA -0.22 0.31 1.07 -0.75 4.13 4.53 2r51A1 VAL 221 HB -0.10 -0.04 0.08 -0.04 2.12 2.01 2r51A1 VAL 221 HG13 -0.29 -0.00 -0.17 -0.04 0.97 0.46 2r51A1 VAL 221 HG23 -0.08 0.00 -0.16 -0.04 0.95 0.66 2r51A1 TYR 222 H -0.10 0.76 0.37 -0.55 8.29 8.76 2r51A1 TYR 222 HA -0.10 0.15 0.93 -0.75 4.56 4.79 2r51A1 TYR 222 HB2 -0.09 -0.04 0.07 -0.04 3.06 2.96 2r51A1 TYR 222 HB3 -0.05 0.02 -0.01 -0.04 2.98 2.90 2r51A1 TYR 222 HD2 -0.19 0.06 -0.10 -0.04 7.15 6.87 2r51A1 TYR 222 HE2 -0.40 0.04 -0.07 -0.04 6.85 6.38 2r51A1 HIS 223 H 0.17 0.24 0.22 -0.55 8.41 8.50 2r51A1 HIS 223 HA 0.05 0.33 1.13 -0.75 4.63 5.38 2r51A1 HIS 223 HB2 0.01 -0.02 0.08 -0.04 3.26 3.28 2r51A1 HIS 223 HB3 0.00 0.01 -0.04 -0.04 3.20 3.13 2r51A1 HIS 223 HD2 -0.00 -0.00 -0.10 -0.04 6.97 6.83 2r51A1 HIS 223 HE1 -0.05 0.01 -0.13 -0.04 7.75 7.53 2r51A1 GLU 224 H 0.10 0.62 0.38 -0.55 8.60 9.15 2r51A1 GLU 224 HA 0.08 0.16 0.93 -0.75 4.29 4.71 2r51A1 GLU 224 HB2 0.06 -0.07 0.07 -0.04 2.09 2.10 2r51A1 GLU 224 HB3 0.05 0.07 0.04 -0.04 1.99 2.10 2r51A1 GLU 224 HG2 0.10 -0.07 -0.56 -0.04 2.34 1.76 2r51A1 GLU 224 HG3 0.05 -0.09 -0.15 -0.04 2.34 2.11 2r51A1 ASN 225 H 0.03 0.22 0.23 -0.55 8.53 8.47 2r51A1 ASN 225 HA 0.01 0.35 1.27 -0.75 4.76 5.65 2r51A1 ASN 225 HB2 -0.01 -0.02 -0.04 -0.04 2.88 2.78 2r51A1 ASN 225 HB3 -0.02 -0.01 -0.02 -0.04 2.79 2.69 2r51A1 ASN 225 HD21 -0.01 0.02 -0.14 -0.04 7.03 6.86 2r51A1 ASN 225 HD22 -0.00 0.01 -0.05 -0.04 7.74 7.66 2r51A1 ASP 226 H 0.01 0.50 0.27 -0.55 8.40 8.63 2r51A1 ASP 226 HA 0.01 0.10 0.83 -0.75 4.63 4.82 2r51A1 ASP 226 HB2 0.03 0.04 -0.23 -0.04 2.71 2.51 2r51A1 ASP 226 HB3 0.03 -0.03 0.07 -0.04 2.70 2.74 2r51A1 THR 227 H 0.00 0.18 0.11 -0.55 8.28 8.03 2r51A1 THR 227 HA -0.01 0.09 0.79 -0.75 4.39 4.50 2r51A1 THR 227 HB -0.01 0.01 0.15 -0.04 4.32 4.44 2r51A1 THR 227 HG23 -0.02 0.00 -0.15 -0.04 1.22 1.01 2r51A1 ILE 228 H -0.01 0.63 0.49 -0.55 8.25 8.80 2r51A1 ILE 228 HA 0.02 0.10 0.51 -0.75 4.18 4.05 2r51A1 ILE 228 HB -0.04 0.01 0.09 -0.04 1.89 1.91 2r51A1 ILE 228 HG12 0.13 -0.09 -0.01 -0.04 1.49 1.49 2r51A1 ILE 228 HG13 0.22 0.02 -0.04 -0.04 1.21 1.38 2r51A1 ILE 228 HG23 -0.15 -0.01 -0.19 -0.04 0.93 0.54 2r51A1 ILE 228 HD13 0.10 0.00 -0.07 -0.04 0.88 0.87 2r51A1 ALA 229 H -0.13 0.28 0.23 -0.55 8.40 8.24 2r51A1 ALA 229 HA -0.14 0.19 0.66 -0.75 4.34 4.29 2r51A1 ALA 229 HB3 -0.89 0.02 -0.09 -0.04 1.41 0.41 2r51A1 LYS 230 H 0.02 0.27 0.08 -0.55 8.42 8.24 2r51A1 LYS 230 HA 0.01 0.17 0.82 -0.75 4.32 4.56 2r51A1 LYS 230 HB2 0.03 -0.00 0.13 -0.04 1.87 1.99 2r51A1 LYS 230 HB3 0.04 0.03 -0.06 -0.04 1.79 1.76 2r51A1 LYS 230 HG2 0.00 0.03 -0.12 -0.04 1.46 1.34 2r51A1 LYS 230 HG3 0.00 -0.04 -0.28 -0.04 1.46 1.10 2r51A1 LYS 230 HD2 0.02 0.00 -0.04 -0.04 1.69 1.64 2r51A1 LYS 230 HD3 0.03 0.01 -0.07 -0.04 1.68 1.62 2r51A1 LYS 230 HE2 0.00 -0.02 -0.10 -0.04 2.99 2.84 2r51A1 LYS 230 HE3 0.01 0.02 -0.06 -0.04 2.99 2.93 2r51A1 TYR 231 H 0.10 0.91 0.20 -0.55 8.29 8.95 2r51A1 TYR 231 HA 0.01 0.13 0.85 -0.75 4.56 4.80 2r51A1 TYR 231 HB2 -0.05 -0.06 0.03 -0.04 3.06 2.94 2r51A1 TYR 231 HB3 -0.10 -0.02 0.24 -0.04 2.98 3.06 2r51A1 TYR 231 HD2 -0.03 -0.07 -0.17 -0.04 7.15 6.85 2r51A1 TYR 231 HE2 0.00 0.06 -0.03 -0.04 6.85 6.85 2r51A1 GLU 232 H -0.14 0.22 0.06 -0.55 8.60 8.19 2r51A1 GLU 232 HA -0.01 0.03 0.57 -0.75 4.29 4.12 2r51A1 GLU 232 HB2 -0.05 0.03 0.12 -0.04 2.09 2.15 2r51A1 GLU 232 HB3 0.13 0.03 0.07 -0.04 1.99 2.18 2r51A1 GLU 232 HG2 -0.01 0.05 0.03 -0.04 2.34 2.37 2r51A1 GLU 232 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 2r51A1 ILE 233 H -0.08 0.19 0.19 -0.55 8.25 8.00 2r51A1 ILE 233 HA 0.06 0.19 0.51 -0.75 4.18 4.18 2r51A1 ILE 233 HB -0.02 0.10 0.10 -0.04 1.89 2.03 2r51A1 ILE 233 HG12 0.12 -0.04 -0.12 -0.04 1.49 1.41 2r51A1 ILE 233 HG13 0.14 0.07 -0.13 -0.04 1.21 1.25 2r51A1 ILE 233 HG23 0.10 -0.00 -0.03 -0.04 0.93 0.96 2r51A1 ILE 233 HD13 -0.08 0.04 -0.15 -0.04 0.88 0.64 2r51A1 ASP 235 HA 0.08 0.04 0.33 -0.75 4.63 4.33 2r51A1 ASP 235 HB2 0.03 -0.05 0.05 -0.04 2.71 2.71 2r51A1 ASP 235 HB3 0.04 -0.01 0.05 -0.04 2.70 2.74 2r51A1 GLY 236 H 0.02 0.46 0.19 -0.55 8.43 8.56 2r51A1 GLY 236 HA2 -0.01 -0.08 0.41 -0.51 4.01 3.81 2r51A1 GLY 236 HA3 -0.02 0.12 0.74 -0.51 4.01 4.34 2r51A1 ALA 237 H -0.04 0.01 0.15 -0.55 8.40 7.97 2r51A1 ALA 237 HA -0.09 0.20 0.58 -0.75 4.34 4.28 2r51A1 ALA 237 HB3 -0.05 -0.02 0.10 -0.04 1.41 1.40 2r51A1 PRO 238 HA -0.35 0.07 0.47 -0.51 4.44 4.13 2r51A1 PRO 238 HB2 -1.36 0.00 -0.14 -0.04 2.28 0.75 2r51A1 PRO 238 HB3 -1.22 0.05 -0.01 -0.04 2.02 0.80 2r51A1 PRO 238 HG2 -0.28 -0.03 0.02 -0.04 2.03 1.70 2r51A1 PRO 238 HG3 -0.37 0.01 -0.01 -0.04 2.03 1.61 2r51A1 PRO 238 HD2 -0.15 -0.05 0.29 -0.04 3.68 3.73 2r51A1 PRO 238 HD3 -0.20 0.30 0.16 -0.04 3.65 3.87 2r51A1 VAL 239 H -0.17 0.16 0.15 -0.55 8.24 7.83 2r51A1 VAL 239 HA -0.06 0.20 0.90 -0.75 4.13 4.43 2r51A1 VAL 239 HB -0.01 -0.00 0.10 -0.04 2.12 2.17 2r51A1 VAL 239 HG13 -0.04 0.03 -0.09 -0.04 0.97 0.82 2r51A1 VAL 239 HG23 -0.01 0.00 -0.03 -0.04 0.95 0.87 2r51A1 ARG 240 H 0.02 0.09 0.10 -0.55 8.46 8.12 2r51A1 ARG 240 HA 0.13 0.30 0.39 -0.75 4.34 4.41 2r51A1 ARG 240 HB2 0.06 -0.08 -0.05 -0.04 1.90 1.79 2r51A1 ARG 240 HB3 0.04 -0.06 0.13 -0.04 1.80 1.87 2r51A1 ARG 240 HG2 0.04 -0.05 -0.20 -0.04 1.67 1.42 2r51A1 ARG 240 HG3 0.05 0.07 0.10 -0.04 1.67 1.86 2r51A1 ARG 240 HD2 0.04 0.29 0.15 -0.04 3.22 3.66 2r51A1 ARG 240 HD3 0.03 -0.11 0.04 -0.04 3.22 3.14 2r51A1 GLY 241 H 0.12 0.44 0.29 -0.55 8.43 8.73 2r51A1 GLY 241 HA2 0.08 -0.04 0.39 -0.51 4.01 3.93 2r51A1 GLY 241 HA3 0.06 0.10 0.65 -0.51 4.01 4.31 2r51A1 GLU 242 H 0.15 0.39 -0.37 -0.55 8.60 8.23 2r51A1 GLU 242 HA 0.12 0.12 0.83 -0.75 4.29 4.61 2r51A1 GLU 242 HB2 0.28 0.10 0.09 -0.04 2.09 2.52 2r51A1 GLU 242 HB3 0.23 -0.04 0.03 -0.04 1.99 2.18 2r51A1 GLU 242 HG2 0.06 0.00 0.05 -0.04 2.34 2.41 2r51A1 GLU 242 HG3 0.06 0.04 -0.03 -0.04 2.34 2.36 2r51A1 SER 243 H 0.12 0.27 0.15 -0.55 8.46 8.45 2r51A1 SER 243 HA -0.22 0.24 0.88 -0.75 4.49 4.63 2r51A1 SER 243 HB2 0.03 0.01 -0.14 -0.04 3.95 3.80 2r51A1 SER 243 HB3 -0.05 -0.01 -0.04 -0.04 3.93 3.79 2r51A1 ILE 244 H -0.25 0.58 0.28 -0.55 8.25 8.31 2r51A1 ILE 244 HA 0.00 0.26 1.11 -0.75 4.18 4.81 2r51A1 ILE 244 HB 0.02 -0.10 0.13 -0.04 1.89 1.90 2r51A1 ILE 244 HG12 0.11 0.07 -0.04 -0.04 1.49 1.58 2r51A1 ILE 244 HG13 0.23 -0.17 -0.43 -0.04 1.21 0.79 2r51A1 ILE 244 HG23 0.08 0.05 -0.04 -0.04 0.93 0.98 2r51A1 ILE 244 HD13 0.23 0.03 -0.08 -0.04 0.88 1.02 2r51A1 PRO 245 HA -0.05 0.15 0.78 -0.51 4.44 4.82 2r51A1 PRO 245 HB2 0.02 -0.00 0.03 -0.04 2.28 2.28 2r51A1 PRO 245 HB3 -0.00 0.03 0.11 -0.04 2.02 2.11 2r51A1 PRO 245 HG2 0.01 0.02 0.10 -0.04 2.03 2.12 2r51A1 PRO 245 HG3 -0.02 0.02 0.06 -0.04 2.03 2.05 2r51A1 PRO 245 HD2 0.02 0.11 0.29 -0.04 3.68 4.06 2r51A1 PRO 245 HD3 -0.02 0.27 0.08 -0.04 3.65 3.93 2r51A1 ILE 246 H -0.02 0.72 0.25 -0.55 8.25 8.65 2r51A1 ILE 246 HA -0.11 0.17 0.75 -0.75 4.18 4.24 2r51A1 ILE 246 HB 0.06 -0.12 -0.10 -0.04 1.89 1.69 2r51A1 ILE 246 HG12 -0.03 0.07 -0.32 -0.04 1.49 1.17 2r51A1 ILE 246 HG13 -0.19 -0.04 -0.20 -0.04 1.21 0.74 2r51A1 ILE 246 HG23 -0.52 0.00 -0.25 -0.04 0.93 0.12 2r51A1 ILE 246 HD13 -0.09 0.05 -0.17 -0.04 0.88 0.63 2r51A1 ARG 247 H -0.12 0.28 0.03 -0.55 8.46 8.09 2r51A1 ARG 247 HA -0.25 0.34 0.76 -0.75 4.34 4.44 2r51A1 ARG 247 HB2 -0.08 0.00 0.11 -0.04 1.90 1.89 2r51A1 ARG 247 HB3 -0.60 -0.03 -0.04 -0.04 1.80 1.09 2r51A1 ARG 247 HG2 -0.12 0.01 0.05 -0.04 1.67 1.57 2r51A1 ARG 247 HG3 -0.04 -0.02 -0.32 -0.04 1.67 1.25 2r51A1 ARG 247 HD2 0.03 0.00 -0.05 -0.04 3.22 3.16 2r51A1 ARG 247 HD3 0.09 0.00 -0.04 -0.04 3.22 3.23 2r51A1 LEU 248 H -0.33 0.58 0.16 -0.55 8.37 8.23 2r51A1 LEU 248 HA -0.06 0.17 0.82 -0.75 4.35 4.52 2r51A1 LEU 248 HB2 -0.25 -0.12 0.12 -0.04 1.64 1.35 2r51A1 LEU 248 HB3 -0.08 0.05 -0.08 -0.04 1.64 1.49 2r51A1 LEU 248 HG -0.34 0.03 -0.11 -0.04 1.64 1.18 2r51A1 LEU 248 HD13 -0.25 0.00 -0.15 -0.04 0.93 0.50 2r51A1 LEU 248 HD23 -0.58 0.03 -0.20 -0.04 0.89 0.10 2r51A1 PHE 249 H 0.20 0.23 0.06 -0.55 8.34 8.27 2r51A1 PHE 249 HA -0.03 0.16 0.75 -0.75 4.62 4.74 2r51A1 PHE 249 HB2 -0.04 0.02 0.17 -0.04 3.15 3.26 2r51A1 PHE 249 HB3 -0.04 -0.01 0.05 -0.04 3.06 3.01 2r51A1 PHE 249 HD2 0.01 0.03 -0.01 -0.04 7.28 7.27 2r51A1 PHE 249 HE2 0.02 0.02 -0.03 -0.04 7.38 7.35 2r51A1 PHE 249 HZ 0.02 0.00 -0.04 -0.04 7.32 7.25 2r51A1 LEU 250 H -0.04 0.53 0.18 -0.55 8.37 8.50 2r51A1 LEU 250 HA 0.19 -0.00 0.17 -0.75 4.35 3.95 2r51A1 LEU 250 HB2 -0.10 -0.00 -0.20 -0.04 1.64 1.29 2r51A1 LEU 250 HB3 -0.07 0.05 -0.07 -0.04 1.64 1.52 2r51A1 LEU 250 HG -0.21 0.04 -0.15 -0.04 1.64 1.28 2r51A1 LEU 250 HD13 -0.27 -0.02 -0.20 -0.04 0.93 0.40 2r51A1 LEU 250 HD23 -0.14 -0.03 -0.19 -0.04 0.89 0.49 2r51A1 ALA 251 H 0.05 0.07 -0.32 -0.55 8.40 7.65 2r51A1 ALA 251 HA 0.00 0.21 0.54 -0.75 4.34 4.34 2r51A1 ALA 251 HB3 0.02 -0.02 0.12 -0.04 1.41 1.48 2r51A1 GLY 252 H -0.09 0.40 -0.30 -0.55 8.43 7.89 2r51A1 GLY 252 HA2 -0.15 0.08 0.56 -0.51 4.01 4.00 2r51A1 GLY 252 HA3 -0.32 -0.05 0.31 -0.51 4.01 3.44 2r51A1 TYR 253 H -0.02 0.51 -0.45 -0.55 8.29 7.77 2r51A1 TYR 253 HA 0.02 0.15 0.97 -0.75 4.56 4.95 2r51A1 TYR 253 HB2 -0.02 0.10 0.01 -0.04 3.06 3.11 2r51A1 TYR 253 HB3 0.01 -0.02 -0.10 -0.04 2.98 2.83 2r51A1 TYR 253 HD2 0.01 0.00 -0.07 -0.04 7.15 7.05 2r51A1 TYR 253 HE2 0.04 -0.05 -0.05 -0.04 6.85 6.75 2r51A1 GLU 254 H 0.21 0.16 0.12 -0.55 8.60 8.53 2r51A1 GLU 254 HA 0.08 0.11 0.65 -0.75 4.29 4.38 2r51A1 GLU 254 HB2 0.10 -0.00 0.20 -0.04 2.09 2.34 2r51A1 GLU 254 HB3 0.08 -0.00 0.05 -0.04 1.99 2.08 2r51A1 GLU 254 HG2 0.05 -0.02 -0.02 -0.04 2.34 2.31 2r51A1 GLU 254 HG3 0.06 0.04 -0.05 -0.04 2.34 2.34 2r51A1 LEU 255 H 0.07 0.28 0.20 -0.55 8.37 8.37 2r51A1 LEU 255 HA 0.11 0.11 0.85 -0.75 4.35 4.66 2r51A1 LEU 255 HB2 -0.04 0.07 -0.05 -0.04 1.64 1.58 2r51A1 LEU 255 HB3 -0.20 0.04 -0.13 -0.04 1.64 1.31 2r51A1 LEU 255 HG 0.07 -0.10 -0.72 -0.04 1.64 0.85 2r51A1 LEU 255 HD13 -0.05 0.04 -0.09 -0.04 0.93 0.79 2r51A1 LEU 255 HD23 -0.17 -0.01 -0.14 -0.04 0.89 0.53 2r51A1 THR 256 H 0.22 0.14 0.14 -0.55 8.28 8.23 2r51A1 THR 256 HA 0.11 0.16 0.80 -0.75 4.39 4.70 2r51A1 THR 256 HB 0.25 0.06 0.15 -0.04 4.32 4.74 2r51A1 THR 256 HG23 0.39 -0.02 -0.09 -0.04 1.22 1.46 2r51A1 PRO 257 HA 0.06 -0.02 0.41 -0.51 4.44 4.38 2r51A1 PRO 257 HB2 0.15 0.18 -0.02 -0.04 2.28 2.55 2r51A1 PRO 257 HB3 0.18 -0.04 0.15 -0.04 2.02 2.27 2r51A1 PRO 257 HG2 0.13 0.03 0.13 -0.04 2.03 2.29 2r51A1 PRO 257 HG3 0.10 -0.07 0.02 -0.04 2.03 2.03 2r51A1 PRO 257 HD2 0.13 0.12 0.22 -0.04 3.68 4.12 2r51A1 PRO 257 HD3 0.05 0.12 0.15 -0.04 3.65 3.93 2r51A1 THR 258 H 0.15 0.40 0.29 -0.55 8.28 8.57 2r51A1 THR 258 HA 0.21 0.24 0.54 -0.75 4.39 4.62 2r51A1 THR 258 HB 0.12 0.04 0.23 -0.04 4.32 4.67 2r51A1 THR 258 HG23 0.05 0.03 0.18 -0.04 1.22 1.44 2r51A1 ARG 260 HA -0.10 -0.16 0.37 -0.75 4.34 3.69 2r51A1 ARG 260 HB2 -0.03 0.02 0.08 -0.04 1.90 1.93 2r51A1 ARG 260 HB3 -0.04 0.00 -0.04 -0.04 1.80 1.68 2r51A1 ARG 260 HG2 -0.00 -0.00 -0.06 -0.04 1.67 1.56 2r51A1 ARG 260 HG3 0.00 0.01 -0.01 -0.04 1.67 1.63 2r51A1 ARG 260 HD2 -0.02 -0.06 0.07 -0.04 3.22 3.17 2r51A1 ARG 260 HD3 0.00 0.00 0.03 -0.04 3.22 3.21 2r51A1 ASP 261 H -0.16 0.05 0.13 -0.55 8.40 7.88 2r51A1 ASP 261 HA -0.16 -0.00 0.23 -0.75 4.63 3.94 2r51A1 ASP 261 HB2 -0.08 0.15 -0.13 -0.04 2.71 2.60 2r51A1 ASP 261 HB3 -0.08 -0.05 0.11 -0.04 2.70 2.63 2r51A1 ILE 262 H -0.57 0.61 0.07 -0.55 8.25 7.81 2r51A1 ILE 262 HA -0.48 0.11 0.46 -0.75 4.18 3.51 2r51A1 ILE 262 HB -1.59 -0.06 0.08 -0.04 1.89 0.27 2r51A1 ILE 262 HG12 -0.75 0.03 -0.09 -0.04 1.49 0.65 2r51A1 ILE 262 HG13 -0.71 -0.01 -0.10 -0.04 1.21 0.35 2r51A1 ILE 262 HG23 -0.96 0.00 -0.18 -0.04 0.93 -0.25 2r51A1 ILE 262 HD13 -0.20 0.05 -0.09 -0.04 0.88 0.60 2r51A1 ASN 263 H -0.39 0.20 0.26 -0.55 8.53 8.06 2r51A1 ASN 263 HA -0.09 0.04 0.34 -0.75 4.76 4.30 2r51A1 ASN 263 HB2 -0.41 -0.06 -0.16 -0.04 2.88 2.22 2r51A1 ASN 263 HB3 -0.09 0.06 0.22 -0.04 2.79 2.94 2r51A1 ASN 263 HD21 0.20 0.02 0.03 -0.04 7.03 7.24 2r51A1 ASN 263 HD22 0.15 0.01 -0.02 -0.04 7.74 7.84 2r51A1 LYS 264 H -0.15 0.55 -0.43 -0.55 8.42 7.84 2r51A1 LYS 264 HA -0.09 -0.02 0.13 -0.75 4.32 3.59 2r51A1 LYS 264 HB2 -0.04 0.19 0.03 -0.04 1.87 2.01 2r51A1 LYS 264 HB3 -0.04 -0.03 0.16 -0.04 1.79 1.83 2r51A1 LYS 264 HG2 -0.03 -0.03 -0.23 -0.04 1.46 1.13 2r51A1 LYS 264 HG3 -0.02 -0.02 -0.04 -0.04 1.46 1.34 2r51A1 LYS 264 HD2 -0.03 -0.03 0.01 -0.04 1.69 1.60 2r51A1 LYS 264 HD3 -0.05 0.10 0.05 -0.04 1.68 1.73 2r51A1 LYS 264 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.90 2r51A1 LYS 264 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.90 2r51A1 LYS 265 H -0.13 0.46 -0.45 -0.55 8.42 7.75 2r51A1 LYS 265 HA -0.01 0.21 1.03 -0.75 4.32 4.79 2r51A1 LYS 265 HB2 0.14 0.09 0.01 -0.04 1.87 2.07 2r51A1 LYS 265 HB3 0.08 -0.06 0.01 -0.04 1.79 1.78 2r51A1 LYS 265 HG2 -0.08 0.03 -0.19 -0.04 1.46 1.19 2r51A1 LYS 265 HG3 -0.05 0.18 -0.11 -0.04 1.46 1.44 2r51A1 LYS 265 HD2 -0.05 -0.05 -0.02 -0.04 1.69 1.53 2r51A1 LYS 265 HD3 -0.24 -0.04 0.00 -0.04 1.68 1.37 2r51A1 LYS 265 HE2 -0.07 0.04 0.01 -0.04 2.99 2.92 2r51A1 LYS 265 HE3 -0.61 -0.04 0.01 -0.04 2.99 2.32 2r51A1 PHE 266 H -0.21 0.16 0.13 -0.55 8.34 7.87 2r51A1 PHE 266 HA -0.07 0.26 0.68 -0.75 4.62 4.73 2r51A1 PHE 266 HB2 -0.05 0.07 0.16 -0.04 3.15 3.28 2r51A1 PHE 266 HB3 -0.05 0.08 -0.17 -0.04 3.06 2.88 2r51A1 PHE 266 HD2 -0.12 0.03 -0.24 -0.04 7.28 6.91 2r51A1 PHE 266 HE2 -0.25 0.03 -0.16 -0.04 7.38 6.96 2r51A1 PHE 266 HZ -0.01 0.07 -0.13 -0.04 7.32 7.21 2r51A1 SER 267 H 0.08 0.72 0.42 -0.55 8.46 9.14 2r51A1 SER 267 HA -0.22 0.14 0.72 -0.75 4.49 4.36 2r51A1 SER 267 HB2 -0.02 0.01 0.11 -0.04 3.95 4.01 2r51A1 SER 267 HB3 -0.04 0.08 0.07 -0.04 3.93 3.99 2r51A1 VAL 268 H -0.10 0.31 0.19 -0.55 8.24 8.08 2r51A1 VAL 268 HA -0.09 0.20 0.83 -0.75 4.13 4.31 2r51A1 VAL 268 HB -0.14 0.05 0.17 -0.04 2.12 2.16 2r51A1 VAL 268 HG13 -0.22 -0.00 -0.12 -0.04 0.97 0.59 2r51A1 VAL 268 HG23 -0.49 -0.02 -0.19 -0.04 0.95 0.21 2r51A1 ARG 269 H -0.12 0.65 0.33 -0.55 8.46 8.76 2r51A1 ARG 269 HA -0.05 0.14 1.04 -0.75 4.34 4.72 2r51A1 ARG 269 HB2 0.14 0.02 0.07 -0.04 1.90 2.08 2r51A1 ARG 269 HB3 -0.11 0.03 0.08 -0.04 1.80 1.75 2r51A1 ARG 269 HG2 -0.01 0.05 0.03 -0.04 1.67 1.71 2r51A1 ARG 269 HG3 -0.01 -0.14 -0.48 -0.04 1.67 1.00 2r51A1 ARG 269 HD2 0.03 -0.04 -0.04 -0.04 3.22 3.12 2r51A1 ARG 269 HD3 0.11 0.01 -0.06 -0.04 3.22 3.23 2r51A1 TYR 270 H -0.06 0.24 0.30 -0.55 8.29 8.22 2r51A1 TYR 270 HA 0.03 0.35 1.12 -0.75 4.56 5.30 2r51A1 TYR 270 HB2 -0.07 0.13 0.19 -0.04 3.06 3.26 2r51A1 TYR 270 HB3 -0.05 -0.01 -0.00 -0.04 2.98 2.88 2r51A1 TYR 270 HD2 -0.00 -0.05 -0.10 -0.04 7.15 6.95 2r51A1 TYR 270 HE2 0.04 0.11 -0.24 -0.04 6.85 6.72 2r51A1 TYR 271 H 0.22 0.54 0.38 -0.55 8.29 8.89 2r51A1 TYR 271 HA 0.06 0.16 1.06 -0.75 4.56 5.09 2r51A1 TYR 271 HB2 -0.00 -0.06 -0.02 -0.04 3.06 2.94 2r51A1 TYR 271 HB3 0.02 0.06 -0.18 -0.04 2.98 2.83 2r51A1 TYR 271 HD2 0.01 0.07 -0.27 -0.04 7.15 6.92 2r51A1 TYR 271 HE2 0.00 0.01 -0.16 -0.04 6.85 6.65 2r51A1 LEU 272 H 0.07 0.53 0.29 -0.55 8.37 8.72 2r51A1 LEU 272 HA -0.02 0.29 1.02 -0.75 4.35 4.89 2r51A1 LEU 272 HB2 -0.00 -0.01 0.15 -0.04 1.64 1.73 2r51A1 LEU 272 HB3 -0.04 0.00 -0.06 -0.04 1.64 1.50 2r51A1 LEU 272 HG -0.10 -0.04 -0.06 -0.04 1.64 1.40 2r51A1 LEU 272 HD13 -0.49 -0.00 -0.10 -0.04 0.93 0.30 2r51A1 LEU 272 HD23 -0.16 0.01 -0.10 -0.04 0.89 0.60 2r51A1 ASN 273 H -0.02 0.70 0.27 -0.55 8.53 8.93 2r51A1 ASN 273 HA 0.03 0.28 1.00 -0.75 4.76 5.31 2r51A1 ASN 273 HB2 -0.03 -0.04 -0.12 -0.04 2.88 2.64 2r51A1 ASN 273 HB3 -0.08 -0.09 0.11 -0.04 2.79 2.70 2r51A1 ASN 273 HD21 -0.64 -0.02 -0.15 -0.04 7.03 6.18 2r51A1 ASN 273 HD22 -0.25 -0.04 -0.17 -0.04 7.74 7.25 2r51A1 LEU 274 H 0.05 0.58 0.29 -0.55 8.37 8.75 2r51A1 LEU 274 HA -0.05 0.18 0.89 -0.75 4.35 4.62 2r51A1 LEU 274 HB2 -0.01 -0.05 0.04 -0.04 1.64 1.57 2r51A1 LEU 274 HB3 0.09 -0.00 0.14 -0.04 1.64 1.83 2r51A1 LEU 274 HG 0.06 0.02 -0.27 -0.04 1.64 1.41 2r51A1 LEU 274 HD13 -0.10 0.04 -0.09 -0.04 0.93 0.74 2r51A1 LEU 274 HD23 0.11 -0.03 -0.16 -0.04 0.89 0.77 2r51A1 VAL 275 H 0.02 0.88 0.39 -0.55 8.24 8.98 2r51A1 VAL 275 HA 0.31 0.22 1.03 -0.75 4.13 4.94 2r51A1 VAL 275 HB 0.07 0.08 0.09 -0.04 2.12 2.31 2r51A1 VAL 275 HG13 0.29 -0.03 -0.24 -0.04 0.97 0.95 2r51A1 VAL 275 HG23 -0.02 -0.02 -0.22 -0.04 0.95 0.65 2r51A1 LEU 276 H 0.22 0.49 0.34 -0.55 8.37 8.86 2r51A1 LEU 276 HA 0.05 0.36 0.98 -0.75 4.35 4.98 2r51A1 LEU 276 HB2 0.00 -0.10 -0.03 -0.04 1.64 1.46 2r51A1 LEU 276 HB3 -0.02 -0.00 0.04 -0.04 1.64 1.61 2r51A1 LEU 276 HG 0.09 0.06 -0.13 -0.04 1.64 1.62 2r51A1 LEU 276 HD13 -0.11 -0.03 -0.10 -0.04 0.93 0.64 2r51A1 LEU 276 HD23 0.05 0.05 -0.26 -0.04 0.89 0.69 2r51A1 ILE 277 H 0.11 0.63 0.21 -0.55 8.25 8.65 2r51A1 ILE 277 HA 0.18 0.42 0.90 -0.75 4.18 4.93 2r51A1 ILE 277 HB 0.16 -0.12 0.09 -0.04 1.89 1.97 2r51A1 ILE 277 HG12 0.17 0.06 -0.24 -0.04 1.49 1.45 2r51A1 ILE 277 HG13 0.23 0.02 -0.31 -0.04 1.21 1.10 2r51A1 ILE 277 HG23 0.08 0.05 -0.21 -0.04 0.93 0.81 2r51A1 ILE 277 HD13 0.15 -0.00 -0.11 -0.04 0.88 0.87 2r51A1 ASP 278 H 0.22 0.53 0.13 -0.55 8.40 8.74 2r51A1 ASP 278 HA 0.05 0.09 1.01 -0.75 4.63 5.04 2r51A1 ASP 278 HB2 0.06 0.13 0.12 -0.04 2.71 2.98 2r51A1 ASP 278 HB3 0.11 0.03 -0.07 -0.04 2.70 2.73 2r51A1 GLU 279 H 0.03 0.76 0.30 -0.55 8.60 9.14 2r51A1 GLU 279 HA 0.03 0.10 0.42 -0.75 4.29 4.08 2r51A1 GLU 279 HB2 0.02 -0.02 0.13 -0.04 2.09 2.18 2r51A1 GLU 279 HB3 0.01 0.01 0.07 -0.04 1.99 2.04 2r51A1 GLU 279 HG2 0.01 0.01 -0.01 -0.04 2.34 2.31 2r51A1 GLU 279 HG3 0.01 0.06 -0.19 -0.04 2.34 2.18 2r51A1 GLU 280 H 0.05 0.02 -0.29 -0.55 8.60 7.84 2r51A1 GLU 280 HA 0.02 0.22 0.76 -0.75 4.29 4.54 2r51A1 GLU 280 HB2 0.04 -0.07 0.04 -0.04 2.09 2.06 2r51A1 GLU 280 HB3 0.01 0.04 0.15 -0.04 1.99 2.15 2r51A1 GLU 280 HG2 0.02 0.02 0.02 -0.04 2.34 2.35 2r51A1 GLU 280 HG3 0.01 0.07 0.01 -0.04 2.34 2.39 2r51A1 GLU 281 H 0.04 0.61 -0.40 -0.55 8.60 8.31 2r51A1 GLU 281 HA 0.04 0.07 0.21 -0.75 4.29 3.85 2r51A1 GLU 281 HB2 0.00 0.26 -0.03 -0.04 2.09 2.29 2r51A1 GLU 281 HB3 0.01 -0.05 0.15 -0.04 1.99 2.05 2r51A1 GLU 281 HG2 0.01 0.04 -0.27 -0.04 2.34 2.09 2r51A1 GLU 281 HG3 0.01 -0.03 -0.08 -0.04 2.34 2.20 2r51A1 ARG 282 H 0.04 -0.10 -0.43 -0.55 8.46 7.42 2r51A1 ARG 282 HA -0.10 0.12 0.58 -0.75 4.34 4.18 2r51A1 ARG 282 HB2 0.03 -0.14 0.03 -0.04 1.90 1.77 2r51A1 ARG 282 HB3 -0.35 0.12 -0.06 -0.04 1.80 1.47 2r51A1 ARG 282 HG2 -0.09 0.07 -0.04 -0.04 1.67 1.56 2r51A1 ARG 282 HG3 -0.02 0.00 -0.13 -0.04 1.67 1.48 2r51A1 ARG 282 HD2 -0.14 0.04 -0.03 -0.04 3.22 3.05 2r51A1 ARG 282 HD3 -0.05 0.02 -0.02 -0.04 3.22 3.13 2r51A1 ARG 283 H -0.20 0.13 0.22 -0.55 8.46 8.06 2r51A1 ARG 283 HA -0.01 0.30 0.85 -0.75 4.34 4.73 2r51A1 ARG 283 HB2 -0.33 -0.05 0.17 -0.04 1.90 1.64 2r51A1 ARG 283 HB3 -0.86 -0.00 -0.07 -0.04 1.80 0.83 2r51A1 ARG 283 HG2 0.11 -0.03 -0.01 -0.04 1.67 1.70 2r51A1 ARG 283 HG3 0.15 0.05 -0.02 -0.04 1.67 1.81 2r51A1 ARG 283 HD2 0.01 -0.01 -0.22 -0.04 3.22 2.96 2r51A1 ARG 283 HD3 -0.02 -0.00 0.05 -0.04 3.22 3.21 2r51A1 TYR 284 H 0.14 0.68 0.34 -0.55 8.29 8.90 2r51A1 TYR 284 HA -0.18 0.12 0.81 -0.75 4.56 4.55 2r51A1 TYR 284 HB2 0.01 -0.07 0.13 -0.04 3.06 3.09 2r51A1 TYR 284 HB3 -0.00 0.03 -0.02 -0.04 2.98 2.94 2r51A1 TYR 284 HD2 -0.02 0.12 -0.18 -0.04 7.15 7.03 2r51A1 TYR 284 HE2 -0.01 -0.06 -0.13 -0.04 6.85 6.61 2r51A1 PHE 285 H -0.03 0.16 0.15 -0.55 8.34 8.06 2r51A1 PHE 285 HA 0.07 0.46 1.22 -0.75 4.62 5.61 2r51A1 PHE 285 HB2 0.02 -0.05 -0.05 -0.04 3.15 3.03 2r51A1 PHE 285 HB3 0.02 -0.00 -0.02 -0.04 3.06 3.02 2r51A1 PHE 285 HD2 0.02 0.09 -0.12 -0.04 7.28 7.23 2r51A1 PHE 285 HE2 0.01 0.00 -0.09 -0.04 7.38 7.27 2r51A1 PHE 285 HZ 0.00 0.00 -0.07 -0.04 7.32 7.21 2r51A1 LYS 286 H 0.19 0.48 0.27 -0.55 8.42 8.81 2r51A1 LYS 286 HA 0.13 0.06 0.62 -0.75 4.32 4.38 2r51A1 LYS 286 HB2 0.14 0.02 -0.15 -0.04 1.87 1.84 2r51A1 LYS 286 HB3 0.13 -0.08 0.04 -0.04 1.79 1.84 2r51A1 LYS 286 HG2 0.12 0.25 -0.03 -0.04 1.46 1.76 2r51A1 LYS 286 HG3 0.13 -0.04 -0.17 -0.04 1.46 1.34 2r51A1 LYS 286 HD2 0.10 -0.04 0.13 -0.04 1.69 1.84 2r51A1 LYS 286 HD3 0.10 -0.00 0.23 -0.04 1.68 1.97 2r51A1 LYS 286 HE2 0.09 0.16 0.13 -0.04 2.99 3.33 2r51A1 LYS 286 HE3 0.08 -0.08 0.10 -0.04 2.99 3.05 2r51A1 GLN 287 H 0.10 0.20 0.18 -0.55 8.47 8.40 2r51A1 GLN 287 HA 0.11 0.39 1.15 -0.75 4.36 5.26 2r51A1 GLN 287 HB2 0.11 0.06 -0.04 -0.04 2.15 2.23 2r51A1 GLN 287 HB3 0.02 -0.08 -0.17 -0.04 2.02 1.75 2r51A1 GLN 287 HG2 0.01 -0.04 -0.02 -0.04 2.40 2.30 2r51A1 GLN 287 HG3 0.12 0.00 -0.31 -0.04 2.39 2.17 2r51A1 GLN 287 HE21 -0.67 -0.01 -0.12 -0.04 6.97 6.14 2r51A1 GLN 287 HE22 -0.22 -0.00 -0.10 -0.04 7.69 7.32 2r51A1 GLN 288 H 0.17 0.54 0.32 -0.55 8.47 8.95 2r51A1 GLN 288 HA 0.19 0.11 0.62 -0.75 4.36 4.52 2r51A1 GLN 288 HB2 0.23 -0.03 0.04 -0.04 2.15 2.35 2r51A1 GLN 288 HB3 0.20 0.09 -0.01 -0.04 2.02 2.25 2r51A1 GLN 288 HG2 0.12 -0.04 0.12 -0.04 2.40 2.56 2r51A1 GLN 288 HG3 0.14 0.09 -0.07 -0.04 2.39 2.52 2r51A1 GLN 288 HE21 0.07 0.48 0.09 -0.04 6.97 7.57 2r51A1 GLN 288 HE22 0.08 -0.07 0.06 -0.04 7.69 7.72 2r51A1 GLU 289 H 0.13 0.11 0.15 -0.55 8.60 8.44 2r51A1 GLU 289 HA -0.37 0.16 0.70 -0.75 4.29 4.02 2r51A1 GLU 289 HB2 -0.13 -0.05 0.10 -0.04 2.09 1.97 2r51A1 GLU 289 HB3 -0.03 -0.04 0.13 -0.04 1.99 2.01 2r51A1 GLU 289 HG2 -0.15 0.00 -0.26 -0.04 2.34 1.90 2r51A1 GLU 289 HG3 -0.60 0.15 0.13 -0.04 2.34 1.98 2r51A1 VAL 290 H -0.10 0.44 0.31 -0.55 8.24 8.34 2r51A1 VAL 290 HA 0.09 0.33 0.78 -0.75 4.13 4.57 2r51A1 VAL 290 HB 0.23 -0.01 -0.16 -0.04 2.12 2.14 2r51A1 VAL 290 HG13 0.19 0.00 -0.11 -0.04 0.97 1.02 2r51A1 VAL 290 HG23 0.00 -0.04 -0.15 -0.04 0.95 0.73 2r51A1 VAL 291 H 0.04 0.56 0.28 -0.55 8.24 8.57 2r51A1 VAL 291 HA 0.06 0.05 0.79 -0.75 4.13 4.27 2r51A1 VAL 291 HB -0.05 -0.04 0.18 -0.04 2.12 2.17 2r51A1 VAL 291 HG13 0.03 -0.00 -0.12 -0.04 0.97 0.84 2r51A1 VAL 291 HG23 -0.01 0.01 0.01 -0.04 0.95 0.93 2r51A1 LEU 292 H 0.10 0.12 0.27 -0.55 8.37 8.31 2r51A1 LEU 292 HA 0.04 0.40 1.01 -0.75 4.35 5.04 2r51A1 LEU 292 HB2 -0.14 -0.06 0.17 -0.04 1.64 1.57 2r51A1 LEU 292 HB3 -0.17 0.06 -0.02 -0.04 1.64 1.48 2r51A1 LEU 292 HG -0.26 -0.01 -0.05 -0.04 1.64 1.28 2r51A1 LEU 292 HD13 -0.84 0.03 -0.10 -0.04 0.93 -0.02 2r51A1 LEU 292 HD23 -0.08 -0.01 -0.27 -0.04 0.89 0.49 2r51A1 TRP 293 H -0.18 0.54 0.31 -0.55 7.97 8.09 2r51A1 TRP 293 HA 0.10 0.19 0.82 -0.75 4.62 4.97 2r51A1 TRP 293 HB2 0.26 -0.00 -0.05 -0.04 3.23 3.39 2r51A1 TRP 293 HB3 0.17 0.07 -0.22 -0.04 3.23 3.21 2r51A1 TRP 293 HD1 -0.21 0.10 -0.31 -0.04 7.22 6.76 2r51A1 TRP 293 HE1 -0.13 0.03 -0.47 -0.04 10.20 9.59 2r51A1 TRP 293 HE3 0.18 0.16 -0.51 -0.04 7.59 7.37 2r51A1 TRP 293 HZ2 0.13 0.05 -0.10 -0.04 7.44 7.48 2r51A1 TRP 293 HZ3 0.05 0.11 -0.02 -0.04 7.13 7.23 2r51A1 TRP 293 HH2 0.05 0.06 -0.01 -0.04 7.19 7.25 2r51A1 ARG 294 H 0.35 0.27 0.18 -0.55 8.46 8.71 2r51A1 ARG 294 HA -0.03 0.01 0.85 -0.75 4.34 4.41 2r51A1 ARG 294 HB2 0.08 0.02 0.09 -0.04 1.90 2.06 2r51A1 ARG 294 HB3 0.17 0.20 0.25 -0.04 1.80 2.38 2r51A1 ARG 294 HG2 0.09 0.06 -0.14 -0.04 1.67 1.64 2r51A1 ARG 294 HG3 -0.00 -0.01 0.04 -0.04 1.67 1.66 2r51A1 ARG 294 HD2 0.16 -0.01 -0.19 -0.04 3.22 3.13 2r51A1 ARG 294 HD3 0.10 0.01 -0.10 -0.04 3.22 3.19 2r51A1 LYS 295 H -0.16 0.06 0.23 -0.55 8.42 8.00 2r51A1 LYS 295 HA 0.29 0.21 0.80 -0.75 4.32 4.86 2r51A1 LYS 295 HB2 -0.77 -0.05 0.08 -0.04 1.87 1.08 2r51A1 LYS 295 HB3 -0.45 -0.03 0.14 -0.04 1.79 1.42 2r51A1 LYS 295 HG2 -0.07 0.13 -0.15 -0.04 1.46 1.33 2r51A1 LYS 295 HG3 0.14 -0.00 0.07 -0.04 1.46 1.63 2r51A1 LYS 295 HD2 -0.44 -0.04 0.01 -0.04 1.69 1.18 2r51A1 LYS 295 HD3 -0.67 -0.02 -0.01 -0.04 1.68 0.93 2r51A1 LYS 295 HE2 -0.07 0.05 -0.03 -0.04 2.99 2.90 2r51A1 LYS 295 HE3 0.02 0.00 0.00 -0.04 2.99 2.98 2r51A1 GLY 296 H 0.12 0.14 0.10 -0.55 8.43 8.24 2r51A1 GLY 296 HA2 0.05 0.19 0.32 -0.51 4.01 4.06 2r51A1 GLY 296 HA3 0.03 0.05 0.15 -0.51 4.01 3.73