============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 9 0.900 37.972 17.532 -20.032 -99.200 -91.000 HIS 25 0.900 17.362 27.517 -12.224 -99.200 -91.000 PHE 27 1.000 25.623 27.117 -10.995 -99.200 -91.000 PHE 41 1.000 24.854 16.413 -1.079 -99.200 -91.000 TYR 47 0.840 17.351 19.437 -6.232 -99.200 -91.000 PHE 48 1.000 19.811 16.067 -11.580 -99.200 -91.000 PHE 98 1.000 20.702 7.568 -33.654 -99.200 -91.000 TYR 111 0.840 23.538 0.922 -25.210 -99.200 -91.000 PHE 114 1.000 20.425 -4.871 -28.032 -99.200 -91.000 TYR 125 0.840 12.417 -5.608 -35.894 -99.200 -91.000 TRP 128 1.040 13.803 -1.912 -29.216 -99.200 -91.000 TRP6 128 1.020 15.732 -2.755 -30.288 -99.200 -91.000 PHE 132 1.000 11.480 3.442 -28.484 -99.200 -91.000 PHE 134 1.000 5.650 -0.238 -40.574 -99.200 -91.000 HIS 136 0.900 10.441 7.392 -34.835 -99.200 -91.000 HIS 138 0.900 13.462 -0.939 -40.862 -99.200 -91.000 PHE 143 1.000 19.730 5.048 -28.720 -99.200 -91.000 TYR 161 0.840 36.028 -13.253 -22.613 -99.200 -91.000 PHE 163 1.000 30.993 -3.390 -24.396 -99.200 -91.000 PHE 165 1.000 27.470 -14.408 -24.382 -99.200 -91.000 PHE 181 1.000 5.865 -9.538 -44.586 -99.200 -91.000 TYR 204 0.840 2.678 -12.167 -33.452 -99.200 -91.000 PHE 206 1.000 10.772 -14.297 -39.347 -99.200 -91.000 TYR 208 0.840 4.939 -18.846 -30.562 -99.200 -91.000 HIS 227 0.900 -4.504 -8.380 -53.150 -99.200 -91.000 TYR 233 0.840 -2.028 -19.078 -47.268 -99.200 -91.000 TYR 236 0.840 2.716 -13.512 -44.592 -99.200 -91.000 HIS 245 0.900 19.001 -20.442 -44.638 -99.200 -91.000 PHE 248 1.000 12.007 -19.263 -39.687 -99.200 -91.000 TYR 268 0.840 -0.128 -20.870 -56.822 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2vj4B1 SER 64 HA -0.00 0.03 0.26 -0.75 4.49 4.02 2vj4B1 SER 64 HB2 0.00 0.03 0.08 -0.04 3.95 4.02 2vj4B1 SER 64 HB3 -0.00 -0.12 0.09 -0.04 3.93 3.86 2vj4B1 GLY 65 H -0.01 -0.06 0.15 -0.55 8.43 7.96 2vj4B1 GLY 65 HA2 -0.00 0.14 0.32 -0.51 4.01 3.96 2vj4B1 GLY 65 HA3 -0.00 0.07 0.29 -0.51 4.01 3.86 2vj4B1 LEU 66 H -0.01 -0.12 0.16 -0.55 8.37 7.86 2vj4B1 LEU 66 HA -0.00 0.18 0.65 -0.75 4.35 4.42 2vj4B1 LEU 66 HB2 -0.01 -0.04 -0.16 -0.04 1.64 1.39 2vj4B1 LEU 66 HB3 -0.01 0.02 -0.09 -0.04 1.64 1.52 2vj4B1 LEU 66 HG -0.00 -0.04 0.01 -0.04 1.64 1.57 2vj4B1 LEU 66 HD13 -0.01 -0.00 0.06 -0.04 0.93 0.94 2vj4B1 LEU 66 HD23 -0.00 0.02 0.13 -0.04 0.89 1.00 2vj4B1 VAL 67 H -0.01 -0.12 0.05 -0.55 8.24 7.62 2vj4B1 VAL 67 HA -0.01 0.15 0.67 -0.75 4.13 4.19 2vj4B1 VAL 67 HB -0.01 0.04 0.09 -0.04 2.12 2.20 2vj4B1 VAL 67 HG13 -0.02 0.01 -0.05 -0.04 0.97 0.87 2vj4B1 VAL 67 HG23 -0.02 -0.02 0.04 -0.04 0.95 0.92 2vj4B1 PRO 68 HA -0.01 0.14 0.58 -0.51 4.44 4.64 2vj4B1 PRO 68 HB2 -0.02 0.03 0.19 -0.04 2.28 2.45 2vj4B1 PRO 68 HB3 -0.01 0.00 0.07 -0.04 2.02 2.04 2vj4B1 PRO 68 HG2 -0.01 0.02 0.10 -0.04 2.03 2.09 2vj4B1 PRO 68 HG3 -0.01 -0.00 0.10 -0.04 2.03 2.08 2vj4B1 PRO 68 HD2 -0.02 0.05 0.11 -0.04 3.68 3.79 2vj4B1 PRO 68 HD3 -0.01 0.23 0.30 -0.04 3.65 4.13 2vj4B1 ARG 69 H -0.02 0.38 -0.27 -0.55 8.46 7.99 2vj4B1 ARG 69 HA -0.05 0.01 0.51 -0.75 4.34 4.06 2vj4B1 ARG 69 HB2 -0.02 -0.01 0.06 -0.04 1.90 1.89 2vj4B1 ARG 69 HB3 -0.03 -0.04 0.05 -0.04 1.80 1.74 2vj4B1 ARG 69 HG2 -0.02 0.01 -0.07 -0.04 1.67 1.54 2vj4B1 ARG 69 HG3 -0.02 0.05 -0.09 -0.04 1.67 1.57 2vj4B1 ARG 69 HD2 -0.00 -0.04 -0.08 -0.04 3.22 3.05 2vj4B1 ARG 69 HD3 -0.01 0.24 -0.30 -0.04 3.22 3.12 2vj4B1 GLY 70 H -0.07 0.00 -0.03 -0.55 8.43 7.78 2vj4B1 GLY 70 HA2 -0.08 0.13 0.51 -0.51 4.01 4.06 2vj4B1 GLY 70 HA3 -0.10 0.02 0.40 -0.51 4.01 3.83 2vj4B1 SER 71 H -0.66 -0.30 0.24 -0.55 8.46 7.19 2vj4B1 SER 71 HA -0.13 0.10 0.35 -0.75 4.49 4.05 2vj4B1 SER 71 HB2 -0.09 -0.25 0.11 -0.04 3.95 3.67 2vj4B1 SER 71 HB3 -0.07 0.11 -0.07 -0.04 3.93 3.86 2vj4B1 HIS 72 H -0.76 -0.18 0.24 -0.55 8.41 7.16 2vj4B1 HIS 72 HA -0.01 0.08 0.22 -0.75 4.63 4.17 2vj4B1 HIS 72 HB2 -0.01 -0.05 0.12 -0.04 3.26 3.28 2vj4B1 HIS 72 HB3 -0.00 0.07 0.15 -0.04 3.20 3.37 2vj4B1 HIS 72 HD2 -0.01 0.04 -0.11 -0.04 6.97 6.85 2vj4B1 HIS 72 HE1 -0.00 0.04 0.07 -0.04 7.75 7.82 2vj4B1 MET 73 H 0.10 0.05 0.10 -0.55 8.47 8.18 2vj4B1 MET 73 HA 0.02 -0.11 0.41 -0.75 4.52 4.09 2vj4B1 MET 73 HB2 0.07 0.31 -0.05 -0.04 2.15 2.44 2vj4B1 MET 73 HB3 0.02 0.00 0.17 -0.04 2.03 2.18 2vj4B1 MET 73 HG2 0.01 -0.07 0.04 -0.04 2.63 2.58 2vj4B1 MET 73 HG3 0.05 -0.01 -0.09 -0.04 2.56 2.47 2vj4B1 MET 73 HE3 -0.00 -0.01 -0.02 -0.04 2.10 2.03 2vj4B1 SER 74 H -0.00 -0.03 0.16 -0.55 8.46 8.04 2vj4B1 SER 74 HA -0.01 0.30 0.82 -0.75 4.49 4.84 2vj4B1 SER 74 HB2 -0.02 -0.05 0.05 -0.04 3.95 3.89 2vj4B1 SER 74 HB3 -0.03 0.08 0.02 -0.04 3.93 3.97 2vj4B1 GLN 75 H -0.03 -0.00 0.14 -0.55 8.47 8.03 2vj4B1 GLN 75 HA -0.08 0.15 0.32 -0.75 4.36 3.99 2vj4B1 GLN 75 HB2 -0.06 -0.02 0.13 -0.04 2.15 2.15 2vj4B1 GLN 75 HB3 -0.05 -0.01 -0.03 -0.04 2.02 1.90 2vj4B1 GLN 75 HG2 -0.06 0.02 -0.00 -0.04 2.40 2.32 2vj4B1 GLN 75 HG3 -0.08 0.07 0.01 -0.04 2.39 2.35 2vj4B1 GLN 75 HE21 -0.08 -0.01 -0.05 -0.04 6.97 6.79 2vj4B1 GLN 75 HE22 -0.04 -0.00 -0.13 -0.04 7.69 7.47 2vj4B1 GLU 76 H -0.02 -0.02 -0.42 -0.55 8.60 7.59 2vj4B1 GLU 76 HA -0.02 0.14 0.45 -0.75 4.29 4.10 2vj4B1 GLU 76 HB2 -0.01 0.02 -0.10 -0.04 2.09 1.96 2vj4B1 GLU 76 HB3 -0.01 0.07 0.00 -0.04 1.99 2.01 2vj4B1 GLU 76 HG2 -0.01 0.02 -0.02 -0.04 2.34 2.29 2vj4B1 GLU 76 HG3 -0.01 0.04 -0.03 -0.04 2.34 2.29 2vj4B1 ARG 77 H -0.03 0.32 -0.55 -0.55 8.46 7.64 2vj4B1 ARG 77 HA -0.01 0.16 0.59 -0.75 4.34 4.32 2vj4B1 ARG 77 HB2 -0.02 0.11 0.05 -0.04 1.90 2.00 2vj4B1 ARG 77 HB3 -0.01 -0.01 0.15 -0.04 1.80 1.89 2vj4B1 ARG 77 HG2 -0.00 -0.07 -0.07 -0.04 1.67 1.49 2vj4B1 ARG 77 HG3 -0.01 -0.05 -0.16 -0.04 1.67 1.41 2vj4B1 ARG 77 HD2 -0.01 0.01 0.02 -0.04 3.22 3.20 2vj4B1 ARG 77 HD3 -0.00 0.17 0.01 -0.04 3.22 3.36 2vj4B1 ILE 78 H -0.06 0.29 -0.49 -0.55 8.25 7.43 2vj4B1 ILE 78 HA -0.11 -0.02 0.56 -0.75 4.18 3.87 2vj4B1 ILE 78 HB -0.11 0.18 0.10 -0.04 1.89 2.01 2vj4B1 ILE 78 HG12 -0.32 -0.03 0.02 -0.04 1.49 1.12 2vj4B1 ILE 78 HG13 -0.16 0.03 -0.07 -0.04 1.21 0.97 2vj4B1 ILE 78 HG23 -0.26 -0.03 -0.10 -0.04 0.93 0.50 2vj4B1 ILE 78 HD13 -0.36 -0.01 -0.06 -0.04 0.88 0.41 2vj4B1 LEU 79 H -0.03 0.07 0.12 -0.55 8.37 7.98 2vj4B1 LEU 79 HA 0.01 0.31 0.84 -0.75 4.35 4.76 2vj4B1 LEU 79 HB2 0.02 -0.05 0.04 -0.04 1.64 1.62 2vj4B1 LEU 79 HB3 0.02 -0.13 0.11 -0.04 1.64 1.60 2vj4B1 LEU 79 HG 0.01 0.17 -0.13 -0.04 1.64 1.65 2vj4B1 LEU 79 HD13 0.04 -0.03 -0.11 -0.04 0.93 0.78 2vj4B1 LEU 79 HD23 0.01 0.05 -0.24 -0.04 0.89 0.66 2vj4B1 ASP 80 H 0.05 0.11 -0.13 -0.55 8.40 7.88 2vj4B1 ASP 80 HA 0.08 0.10 0.90 -0.75 4.63 4.95 2vj4B1 ASP 80 HB2 0.15 -0.05 0.06 -0.04 2.71 2.83 2vj4B1 ASP 80 HB3 0.35 0.03 0.17 -0.04 2.70 3.20 2vj4B1 GLY 81 H 0.06 0.15 0.13 -0.55 8.43 8.22 2vj4B1 GLY 81 HA2 0.05 -0.02 0.29 -0.51 4.01 3.82 2vj4B1 GLY 81 HA3 0.08 0.20 0.75 -0.51 4.01 4.53 2vj4B1 GLU 82 H 0.04 0.06 0.17 -0.55 8.60 8.32 2vj4B1 GLU 82 HA 0.02 0.31 0.84 -0.75 4.29 4.71 2vj4B1 GLU 82 HB2 0.02 -0.12 0.13 -0.04 2.09 2.08 2vj4B1 GLU 82 HB3 0.01 -0.04 0.15 -0.04 1.99 2.06 2vj4B1 GLU 82 HG2 0.02 -0.02 -0.14 -0.04 2.34 2.15 2vj4B1 GLU 82 HG3 0.02 0.01 0.02 -0.04 2.34 2.34 2vj4B1 GLU 83 H 0.00 0.21 0.14 -0.55 8.60 8.40 2vj4B1 GLU 83 HA -0.00 0.19 0.30 -0.75 4.29 4.02 2vj4B1 GLU 83 HB2 -0.00 0.06 0.14 -0.04 2.09 2.24 2vj4B1 GLU 83 HB3 -0.01 -0.04 0.05 -0.04 1.99 1.94 2vj4B1 GLU 83 HG2 -0.01 -0.01 -0.03 -0.04 2.34 2.24 2vj4B1 GLU 83 HG3 -0.01 0.08 0.04 -0.04 2.34 2.41 2vj4B1 ASP 84 H -0.02 0.02 -0.22 -0.55 8.40 7.63 2vj4B1 ASP 84 HA -0.13 0.17 0.58 -0.75 4.63 4.50 2vj4B1 ASP 84 HB2 -0.13 0.06 -0.02 -0.04 2.71 2.58 2vj4B1 ASP 84 HB3 -0.06 0.03 0.05 -0.04 2.70 2.68 2vj4B1 GLU 85 H -0.01 -0.03 -0.12 -0.55 8.60 7.90 2vj4B1 GLU 85 HA 0.09 0.07 0.44 -0.75 4.29 4.14 2vj4B1 GLU 85 HB2 0.04 -0.07 0.16 -0.04 2.09 2.17 2vj4B1 GLU 85 HB3 0.04 -0.17 0.20 -0.04 1.99 2.02 2vj4B1 GLU 85 HG2 0.02 0.14 0.00 -0.04 2.34 2.47 2vj4B1 GLU 85 HG3 0.05 -0.01 0.08 -0.04 2.34 2.43 2vj4B1 ILE 86 H 0.02 0.52 -0.21 -0.55 8.25 8.03 2vj4B1 ILE 86 HA 0.15 0.14 0.53 -0.75 4.18 4.25 2vj4B1 ILE 86 HB 0.04 0.00 -0.04 -0.04 1.89 1.85 2vj4B1 ILE 86 HG12 0.27 0.09 -0.04 -0.04 1.49 1.77 2vj4B1 ILE 86 HG13 0.11 -0.18 -0.12 -0.04 1.21 0.98 2vj4B1 ILE 86 HG23 0.08 0.01 -0.15 -0.04 0.93 0.83 2vj4B1 ILE 86 HD13 0.04 -0.04 -0.47 -0.04 0.88 0.37 2vj4B1 ASN 87 H -0.04 0.13 -0.34 -0.55 8.53 7.73 2vj4B1 ASN 87 HA -0.05 0.07 0.43 -0.75 4.76 4.45 2vj4B1 ASN 87 HB2 -0.04 0.31 0.27 -0.04 2.88 3.37 2vj4B1 ASN 87 HB3 -0.06 -0.03 0.05 -0.04 2.79 2.70 2vj4B1 ASN 87 HD21 0.18 -0.04 -0.01 -0.04 7.03 7.11 2vj4B1 ASN 87 HD22 0.08 -0.04 -0.01 -0.04 7.74 7.73 2vj4B1 HIS 88 H -0.06 0.30 -0.35 -0.55 8.41 7.76 2vj4B1 HIS 88 HA 0.15 0.03 0.38 -0.75 4.63 4.42 2vj4B1 HIS 88 HB2 -0.05 0.17 0.11 -0.04 3.26 3.46 2vj4B1 HIS 88 HB3 -0.04 -0.04 0.10 -0.04 3.20 3.18 2vj4B1 HIS 88 HD2 0.04 0.00 -0.02 -0.04 6.97 6.95 2vj4B1 HIS 88 HE1 0.01 -0.08 -0.06 -0.04 7.75 7.56 2vj4B1 ILE 90 HA 0.06 -0.08 0.32 -0.75 4.18 3.73 2vj4B1 ILE 90 HB -0.11 0.08 0.05 -0.04 1.89 1.87 2vj4B1 ILE 90 HG12 -0.05 -0.10 0.05 -0.04 1.49 1.36 2vj4B1 ILE 90 HG13 0.08 -0.02 0.12 -0.04 1.21 1.34 2vj4B1 ILE 90 HG23 -0.28 -0.02 -0.20 -0.04 0.93 0.39 2vj4B1 ILE 90 HD13 0.11 0.00 0.05 -0.04 0.88 1.00 2vj4B1 PHE 91 H 0.08 0.42 -1.30 -0.55 8.34 6.98 2vj4B1 PHE 91 HA 0.05 0.02 0.53 -0.75 4.62 4.46 2vj4B1 PHE 91 HB2 0.05 0.15 0.22 -0.04 3.15 3.53 2vj4B1 PHE 91 HB3 0.04 -0.09 0.05 -0.04 3.06 3.02 2vj4B1 PHE 91 HD2 0.03 0.13 0.04 -0.04 7.28 7.44 2vj4B1 PHE 91 HE2 0.01 -0.06 -0.02 -0.04 7.38 7.27 2vj4B1 PHE 91 HZ 0.01 -0.07 -0.02 -0.04 7.32 7.20 2vj4B1 ASP 92 H 0.11 0.59 0.26 -0.55 8.40 8.81 2vj4B1 ASP 92 HA 0.12 -0.02 0.37 -0.75 4.63 4.34 2vj4B1 ASP 92 HB2 -0.05 0.04 -0.08 -0.04 2.71 2.58 2vj4B1 ASP 92 HB3 0.17 -0.03 -0.14 -0.04 2.70 2.66 2vj4B1 LEU 93 H 0.13 0.12 -0.50 -0.55 8.37 7.57 2vj4B1 LEU 93 HA 0.30 0.09 0.22 -0.75 4.35 4.20 2vj4B1 LEU 93 HB2 0.16 0.16 0.05 -0.04 1.64 1.97 2vj4B1 LEU 93 HB3 0.28 -0.04 0.02 -0.04 1.64 1.86 2vj4B1 LEU 93 HG 0.23 -0.06 -0.16 -0.04 1.64 1.60 2vj4B1 LEU 93 HD13 0.21 0.01 -0.04 -0.04 0.93 1.07 2vj4B1 LEU 93 HD23 -0.02 -0.00 -0.12 -0.04 0.89 0.71 2vj4B1 ARG 95 HA 0.08 -0.16 0.31 -0.75 4.34 3.81 2vj4B1 ARG 95 HB2 0.12 0.12 0.12 -0.04 1.90 2.21 2vj4B1 ARG 95 HB3 0.10 0.03 0.07 -0.04 1.80 1.96 2vj4B1 ARG 95 HG2 0.05 -0.07 0.14 -0.04 1.67 1.75 2vj4B1 ARG 95 HG3 0.05 -0.06 0.04 -0.04 1.67 1.65 2vj4B1 ARG 95 HD2 0.06 -0.00 -0.02 -0.04 3.22 3.21 2vj4B1 ARG 95 HD3 0.06 0.02 -0.01 -0.04 3.22 3.25 2vj4B1 THR 96 H 0.14 0.27 -1.34 -0.55 8.28 6.81 2vj4B1 THR 96 HA 0.06 0.00 0.67 -0.75 4.39 4.38 2vj4B1 THR 96 HB 0.20 -0.00 0.11 -0.04 4.32 4.58 2vj4B1 THR 96 HG23 0.09 -0.04 0.03 -0.04 1.22 1.26 2vj4B1 LEU 97 H -0.12 0.11 0.08 -0.55 8.37 7.89 2vj4B1 LEU 97 HA 0.05 0.21 0.12 -0.75 4.35 3.98 2vj4B1 LEU 97 HB2 0.03 0.13 -0.07 -0.04 1.64 1.70 2vj4B1 LEU 97 HB3 -0.01 -0.04 -0.01 -0.04 1.64 1.54 2vj4B1 LEU 97 HG 0.01 -0.42 -0.23 -0.04 1.64 0.96 2vj4B1 LEU 97 HD13 0.04 0.09 -0.07 -0.04 0.93 0.95 2vj4B1 LEU 97 HD23 0.02 0.07 -0.01 -0.04 0.89 0.93 2vj4B1 ASP 99 HA 0.02 -0.01 0.30 -0.75 4.63 4.19 2vj4B1 ASP 99 HB2 0.03 -0.02 0.05 -0.04 2.71 2.73 2vj4B1 ASP 99 HB3 0.02 -0.03 -0.02 -0.04 2.70 2.63 2vj4B1 ASN 100 H 0.01 0.12 -0.34 -0.55 8.53 7.77 2vj4B1 ASN 100 HA 0.00 0.20 0.99 -0.75 4.76 5.20 2vj4B1 ASN 100 HB2 0.01 0.04 -0.03 -0.04 2.88 2.85 2vj4B1 ASN 100 HB3 0.01 -0.05 0.08 -0.04 2.79 2.78 2vj4B1 ASN 100 HD21 0.01 -0.01 -0.17 -0.04 7.03 6.82 2vj4B1 ASN 100 HD22 0.01 0.17 -0.36 -0.04 7.74 7.52 2vj4B1 LEU 101 H -0.01 0.19 0.05 -0.55 8.37 8.05 2vj4B1 LEU 101 HA -0.03 0.17 0.39 -0.75 4.35 4.13 2vj4B1 LEU 101 HB2 -0.01 0.33 -0.01 -0.04 1.64 1.91 2vj4B1 LEU 101 HB3 -0.01 -0.11 0.26 -0.04 1.64 1.74 2vj4B1 LEU 101 HG -0.02 0.03 -0.02 -0.04 1.64 1.60 2vj4B1 LEU 101 HD13 -0.00 -0.00 -0.26 -0.04 0.93 0.62 2vj4B1 LEU 101 HD23 -0.01 -0.04 -0.03 -0.04 0.89 0.77 2vj4B1 PRO 102 HA -0.03 0.01 0.54 -0.51 4.44 4.46 2vj4B1 PRO 102 HB2 -0.08 0.15 0.01 -0.04 2.28 2.32 2vj4B1 PRO 102 HB3 -0.03 -0.03 0.14 -0.04 2.02 2.05 2vj4B1 PRO 102 HG2 -0.01 0.05 -0.02 -0.04 2.03 2.01 2vj4B1 PRO 102 HG3 -0.01 -0.00 -0.05 -0.04 2.03 1.93 2vj4B1 PRO 102 HD2 -0.02 -0.03 0.01 -0.04 3.68 3.60 2vj4B1 PRO 102 HD3 -0.01 0.18 -0.55 -0.04 3.65 3.22 2vj4B1 LEU 103 H -0.08 -0.02 -0.05 -0.55 8.37 7.67 2vj4B1 LEU 103 HA -0.03 -0.05 0.35 -0.75 4.35 3.86 2vj4B1 LEU 103 HB2 -0.02 0.06 0.19 -0.04 1.64 1.82 2vj4B1 LEU 103 HB3 -0.04 0.06 0.24 -0.04 1.64 1.86 2vj4B1 LEU 103 HG 0.00 0.01 0.03 -0.04 1.64 1.65 2vj4B1 LEU 103 HD13 0.02 0.03 -0.12 -0.04 0.93 0.81 2vj4B1 LEU 103 HD23 0.00 -0.03 0.03 -0.04 0.89 0.84 2vj4B1 ASP 104 H -0.04 0.03 0.17 -0.55 8.40 8.01 2vj4B1 ASP 104 HA -0.22 0.38 1.05 -0.75 4.63 5.08 2vj4B1 ASP 104 HB2 -0.02 -0.06 0.07 -0.04 2.71 2.66 2vj4B1 ASP 104 HB3 0.04 0.05 0.06 -0.04 2.70 2.81 2vj4B1 ARG 105 H 0.04 0.04 0.10 -0.55 8.46 8.09 2vj4B1 ARG 105 HA 0.09 0.11 0.72 -0.75 4.34 4.51 2vj4B1 ARG 105 HB2 0.04 0.01 0.13 -0.04 1.90 2.03 2vj4B1 ARG 105 HB3 0.03 0.03 0.10 -0.04 1.80 1.92 2vj4B1 ARG 105 HG2 0.03 0.02 0.03 -0.04 1.67 1.70 2vj4B1 ARG 105 HG3 0.03 0.03 -0.07 -0.04 1.67 1.62 2vj4B1 ARG 105 HD2 0.03 0.05 0.06 -0.04 3.22 3.31 2vj4B1 ARG 105 HD3 0.05 -0.27 0.23 -0.04 3.22 3.19 2vj4B1 ASP 106 H 0.06 0.18 0.23 -0.55 8.40 8.33 2vj4B1 ASP 106 HA 0.02 -0.02 0.38 -0.75 4.63 4.25 2vj4B1 ASP 106 HB2 0.04 0.22 -0.13 -0.04 2.71 2.80 2vj4B1 ASP 106 HB3 0.02 0.05 0.15 -0.04 2.70 2.88 2vj4B1 PHE 107 H 0.23 0.17 -1.03 -0.55 8.34 7.16 2vj4B1 PHE 107 HA -0.00 0.15 0.51 -0.75 4.62 4.53 2vj4B1 PHE 107 HB2 0.02 0.13 0.02 -0.04 3.15 3.28 2vj4B1 PHE 107 HB3 0.02 0.03 -0.12 -0.04 3.06 2.94 2vj4B1 PHE 107 HD2 0.03 0.13 0.07 -0.04 7.28 7.47 2vj4B1 PHE 107 HE2 0.05 0.05 -0.02 -0.04 7.38 7.42 2vj4B1 PHE 107 HZ 0.05 0.01 -0.02 -0.04 7.32 7.32 2vj4B1 ILE 108 H 0.11 -0.07 -0.00 -0.55 8.25 7.73 2vj4B1 ILE 108 HA -0.20 0.18 0.42 -0.75 4.18 3.83 2vj4B1 ILE 108 HB 0.05 -0.24 0.19 -0.04 1.89 1.85 2vj4B1 ILE 108 HG12 0.05 0.03 0.05 -0.04 1.49 1.58 2vj4B1 ILE 108 HG13 0.07 0.09 0.07 -0.04 1.21 1.39 2vj4B1 ILE 108 HG23 -0.01 0.03 -0.20 -0.04 0.93 0.71 2vj4B1 ILE 108 HD13 0.16 0.07 0.09 -0.04 0.88 1.16 2vj4B1 ASP 109 H -0.04 -0.08 -0.34 -0.55 8.40 7.40 2vj4B1 ASP 109 HA -0.07 0.14 0.42 -0.75 4.63 4.37 2vj4B1 ASP 109 HB2 -0.05 0.10 0.03 -0.04 2.71 2.75 2vj4B1 ASP 109 HB3 -0.06 0.05 0.05 -0.04 2.70 2.70 2vj4B1 ARG 110 H -0.17 0.03 -0.73 -0.55 8.46 7.05 2vj4B1 ARG 110 HA -0.34 0.03 0.45 -0.75 4.34 3.71 2vj4B1 ARG 110 HB2 -0.12 -0.00 0.12 -0.04 1.90 1.86 2vj4B1 ARG 110 HB3 -0.24 0.17 0.04 -0.04 1.80 1.72 2vj4B1 ARG 110 HG2 -0.30 -0.00 -0.13 -0.04 1.67 1.20 2vj4B1 ARG 110 HG3 -0.29 -0.06 -0.01 -0.04 1.67 1.27 2vj4B1 ARG 110 HD2 0.02 -0.03 -0.01 -0.04 3.22 3.16 2vj4B1 ARG 110 HD3 0.11 0.09 -0.05 -0.04 3.22 3.33 2vj4B1 LEU 111 H -0.34 0.36 -0.18 -0.55 8.37 7.67 2vj4B1 LEU 111 HA -0.04 -0.01 0.22 -0.75 4.35 3.76 2vj4B1 LEU 111 HB2 -0.48 0.07 0.16 -0.04 1.64 1.35 2vj4B1 LEU 111 HB3 -0.15 0.18 0.17 -0.04 1.64 1.80 2vj4B1 LEU 111 HG -0.12 -0.02 0.03 -0.04 1.64 1.49 2vj4B1 LEU 111 HD13 -0.03 -0.00 0.01 -0.04 0.93 0.87 2vj4B1 LEU 111 HD23 0.16 0.02 0.10 -0.04 0.89 1.13 2vj4B1 ARG 113 HA -0.09 -0.15 0.27 -0.75 4.34 3.62 2vj4B1 ARG 113 HB2 -0.24 0.37 0.27 -0.04 1.90 2.25 2vj4B1 ARG 113 HB3 -0.33 -0.06 -0.05 -0.04 1.80 1.31 2vj4B1 ARG 113 HG2 -0.09 -0.06 0.06 -0.04 1.67 1.54 2vj4B1 ARG 113 HG3 -0.10 -0.03 0.07 -0.04 1.67 1.57 2vj4B1 ARG 113 HD2 -0.10 -0.04 -0.02 -0.04 3.22 3.01 2vj4B1 ARG 113 HD3 -0.08 -0.09 -0.01 -0.04 3.22 3.01 2vj4B1 TYR 114 H -0.29 0.60 -0.65 -0.55 8.29 7.40 2vj4B1 TYR 114 HA -0.26 -0.05 0.51 -0.75 4.56 4.00 2vj4B1 TYR 114 HB2 -0.49 0.11 0.11 -0.04 3.06 2.75 2vj4B1 TYR 114 HB3 -0.92 -0.07 -0.02 -0.04 2.98 1.93 2vj4B1 TYR 114 HD2 -0.16 -0.02 -0.10 -0.04 7.15 6.84 2vj4B1 TYR 114 HE2 -0.05 -0.07 -0.13 -0.04 6.85 6.56 2vj4B1 PHE 115 H 0.02 0.67 0.25 -0.55 8.34 8.72 2vj4B1 PHE 115 HA 0.05 0.15 0.76 -0.75 4.62 4.82 2vj4B1 PHE 115 HB2 0.03 0.05 -0.03 -0.04 3.15 3.17 2vj4B1 PHE 115 HB3 0.03 -0.09 -0.12 -0.04 3.06 2.83 2vj4B1 PHE 115 HD2 0.04 0.01 -0.03 -0.04 7.28 7.26 2vj4B1 PHE 115 HE2 0.01 0.04 0.00 -0.04 7.38 7.39 2vj4B1 PHE 115 HZ -0.03 0.11 0.05 -0.04 7.32 7.41 2vj4B1 ASP 117 HA 0.05 0.05 0.33 -0.75 4.63 4.31 2vj4B1 ASP 117 HB2 0.06 0.05 0.11 -0.04 2.71 2.90 2vj4B1 ASP 117 HB3 0.05 -0.16 0.06 -0.04 2.70 2.62 2vj4B1 PRO 118 HA 0.03 0.10 0.42 -0.51 4.44 4.48 2vj4B1 PRO 118 HB2 0.02 0.01 -0.06 -0.04 2.28 2.21 2vj4B1 PRO 118 HB3 0.02 0.13 0.05 -0.04 2.02 2.18 2vj4B1 PRO 118 HG2 0.03 0.06 0.05 -0.04 2.03 2.12 2vj4B1 PRO 118 HG3 0.03 0.08 0.07 -0.04 2.03 2.16 2vj4B1 PRO 118 HD2 0.04 0.07 0.18 -0.04 3.68 3.93 2vj4B1 PRO 118 HD3 0.04 0.19 0.18 -0.04 3.65 4.02 2vj4B1 SER 119 H 0.02 0.13 -0.23 -0.55 8.46 7.84 2vj4B1 SER 119 HA 0.01 0.09 0.44 -0.75 4.49 4.27 2vj4B1 SER 119 HB2 0.02 -0.05 0.06 -0.04 3.95 3.95 2vj4B1 SER 119 HB3 0.00 0.09 -0.15 -0.04 3.93 3.83 2vj4B1 ASP 120 H -0.02 0.12 -0.26 -0.55 8.40 7.69 2vj4B1 ASP 120 HA -0.21 0.03 0.35 -0.75 4.63 4.05 2vj4B1 ASP 120 HB2 -0.02 0.29 0.02 -0.04 2.71 2.96 2vj4B1 ASP 120 HB3 -0.50 0.03 -0.01 -0.04 2.70 2.18 2vj4B1 GLN 121 H -0.00 0.51 -0.20 -0.55 8.47 8.23 2vj4B1 GLN 121 HA 0.06 0.06 0.37 -0.75 4.36 4.10 2vj4B1 GLN 121 HB2 0.03 -0.00 0.10 -0.04 2.15 2.24 2vj4B1 GLN 121 HB3 0.04 -0.06 -0.02 -0.04 2.02 1.95 2vj4B1 GLN 121 HG2 0.12 0.04 0.02 -0.04 2.40 2.54 2vj4B1 GLN 121 HG3 0.12 0.12 -0.10 -0.04 2.39 2.50 2vj4B1 GLN 121 HE21 0.04 -0.17 -0.10 -0.04 6.97 6.69 2vj4B1 GLN 121 HE22 0.08 0.58 0.41 -0.04 7.69 8.72 2vj4B1 VAL 122 H -0.01 0.56 -0.24 -0.55 8.24 8.00 2vj4B1 VAL 122 HA 0.01 0.02 0.43 -0.75 4.13 3.83 2vj4B1 VAL 122 HB -0.01 0.13 0.10 -0.04 2.12 2.31 2vj4B1 VAL 122 HG13 0.01 -0.03 -0.14 -0.04 0.97 0.76 2vj4B1 VAL 122 HG23 0.01 0.03 0.01 -0.04 0.95 0.96 2vj4B1 LEU 123 H -0.08 0.45 -0.30 -0.55 8.37 7.90 2vj4B1 LEU 123 HA -0.04 0.01 0.44 -0.75 4.35 4.01 2vj4B1 LEU 123 HB2 -0.16 0.11 0.05 -0.04 1.64 1.61 2vj4B1 LEU 123 HB3 -0.09 -0.05 -0.20 -0.04 1.64 1.26 2vj4B1 LEU 123 HG -0.05 0.12 -0.01 -0.04 1.64 1.66 2vj4B1 LEU 123 HD13 -0.07 -0.05 -0.32 -0.04 0.93 0.46 2vj4B1 LEU 123 HD23 -0.03 -0.01 0.01 -0.04 0.89 0.83 2vj4B1 ALA 124 H -0.14 0.58 -0.12 -0.55 8.40 8.17 2vj4B1 ALA 124 HA -0.06 -0.02 0.43 -0.75 4.34 3.95 2vj4B1 ALA 124 HB3 0.01 0.06 0.11 -0.04 1.41 1.55 2vj4B1 LEU 125 H 0.02 0.43 -0.28 -0.55 8.37 7.99 2vj4B1 LEU 125 HA 0.08 0.06 0.46 -0.75 4.35 4.20 2vj4B1 LEU 125 HB2 0.04 0.09 0.03 -0.04 1.64 1.76 2vj4B1 LEU 125 HB3 0.08 0.00 0.03 -0.04 1.64 1.70 2vj4B1 LEU 125 HG 0.06 0.15 0.06 -0.04 1.64 1.87 2vj4B1 LEU 125 HD13 0.06 -0.01 -0.12 -0.04 0.93 0.82 2vj4B1 LEU 125 HD23 0.15 -0.01 -0.02 -0.04 0.89 0.97 2vj4B1 ARG 126 H 0.00 0.32 -0.44 -0.55 8.46 7.80 2vj4B1 ARG 126 HA 0.02 0.09 0.50 -0.75 4.34 4.20 2vj4B1 ARG 126 HB2 -0.01 0.10 0.13 -0.04 1.90 2.08 2vj4B1 ARG 126 HB3 0.01 -0.09 -0.03 -0.04 1.80 1.65 2vj4B1 ARG 126 HG2 0.01 -0.04 -0.05 -0.04 1.67 1.55 2vj4B1 ARG 126 HG3 0.00 0.27 0.00 -0.04 1.67 1.90 2vj4B1 ARG 126 HD2 0.00 -0.01 -0.07 -0.04 3.22 3.10 2vj4B1 ARG 126 HD3 0.01 -0.04 -0.05 -0.04 3.22 3.10 2vj4B1 GLU 127 H -0.01 0.44 -0.22 -0.55 8.60 8.26 2vj4B1 GLU 127 HA -0.01 -0.03 0.52 -0.75 4.29 4.01 2vj4B1 GLU 127 HB2 -0.04 -0.02 0.13 -0.04 2.09 2.12 2vj4B1 GLU 127 HB3 -0.03 0.26 0.20 -0.04 1.99 2.38 2vj4B1 GLU 127 HG2 -0.09 0.05 0.01 -0.04 2.34 2.28 2vj4B1 GLU 127 HG3 -0.07 0.05 -0.09 -0.04 2.34 2.19 2vj4B1 LEU 128 H 0.02 0.56 -0.05 -0.55 8.37 8.36 2vj4B1 LEU 128 HA 0.03 0.04 0.35 -0.75 4.35 4.01 2vj4B1 LEU 128 HB2 0.08 0.05 0.14 -0.04 1.64 1.87 2vj4B1 LEU 128 HB3 0.08 -0.02 -0.02 -0.04 1.64 1.64 2vj4B1 LEU 128 HG 0.10 0.02 0.02 -0.04 1.64 1.74 2vj4B1 LEU 128 HD13 0.05 0.06 0.04 -0.04 0.93 1.04 2vj4B1 LEU 128 HD23 0.22 -0.03 -0.03 -0.04 0.89 1.02 2vj4B1 LEU 129 H 0.02 0.11 -1.08 -0.55 8.37 6.88 2vj4B1 LEU 129 HA 0.03 0.09 0.59 -0.75 4.35 4.30 2vj4B1 LEU 129 HB2 0.02 0.09 0.09 -0.04 1.64 1.80 2vj4B1 LEU 129 HB3 0.02 -0.08 0.08 -0.04 1.64 1.62 2vj4B1 LEU 129 HG 0.04 0.20 -0.04 -0.04 1.64 1.80 2vj4B1 LEU 129 HD13 0.03 -0.04 -0.08 -0.04 0.93 0.79 2vj4B1 LEU 129 HD23 0.02 -0.02 0.01 -0.04 0.89 0.86 2vj4B1 ASN 130 H 0.01 0.53 -0.45 -0.55 8.53 8.08 2vj4B1 ASN 130 HA 0.02 0.09 0.73 -0.75 4.76 4.84 2vj4B1 ASN 130 HB2 0.00 0.35 0.22 -0.04 2.88 3.40 2vj4B1 ASN 130 HB3 0.01 -0.12 0.09 -0.04 2.79 2.72 2vj4B1 ASN 130 HD21 0.03 -0.16 0.02 -0.04 7.03 6.88 2vj4B1 ASN 130 HD22 0.00 -0.04 0.11 -0.04 7.74 7.77 2vj4B1 GLU 131 H 0.02 0.19 -0.37 -0.55 8.60 7.90 2vj4B1 GLU 131 HA 0.02 0.02 0.24 -0.75 4.29 3.82 2vj4B1 GLU 131 HB2 0.02 0.07 -0.04 -0.04 2.09 2.10 2vj4B1 GLU 131 HB3 0.03 -0.01 0.03 -0.04 1.99 1.99 2vj4B1 GLU 131 HG2 0.03 0.09 0.05 -0.04 2.34 2.47 2vj4B1 GLU 131 HG3 0.04 0.02 0.01 -0.04 2.34 2.37 2vj4B1 ASP 133 HA 0.01 -0.04 0.34 -0.75 4.63 4.19 2vj4B1 ASP 133 HB2 0.01 -0.05 -0.02 -0.04 2.71 2.61 2vj4B1 ASP 133 HB3 0.01 -0.11 0.01 -0.04 2.70 2.57 2vj4B1 LEU 134 H 0.01 0.00 0.06 -0.55 8.37 7.89 2vj4B1 LEU 134 HA 0.01 0.29 0.40 -0.75 4.35 4.29 2vj4B1 LEU 134 HB2 0.01 -0.04 0.06 -0.04 1.64 1.63 2vj4B1 LEU 134 HB3 0.01 -0.10 0.19 -0.04 1.64 1.70 2vj4B1 LEU 134 HG 0.01 0.38 0.63 -0.04 1.64 2.61 2vj4B1 LEU 134 HD13 0.01 -0.02 -0.08 -0.04 0.93 0.80 2vj4B1 LEU 134 HD23 0.01 -0.02 0.04 -0.04 0.89 0.88 2vj4B1 THR 135 H 0.01 0.15 -0.09 -0.55 8.28 7.80 2vj4B1 THR 135 HA 0.00 0.04 0.55 -0.75 4.39 4.23 2vj4B1 THR 135 HB 0.00 0.01 0.07 -0.04 4.32 4.36 2vj4B1 THR 135 HG23 0.00 0.03 -0.01 -0.04 1.22 1.20 2vj4B1 ALA 136 H -0.00 -0.54 0.20 -0.55 8.40 7.51 2vj4B1 ALA 136 HA 0.00 0.28 0.48 -0.75 4.34 4.35 2vj4B1 ALA 136 HB3 0.00 0.03 0.12 -0.04 1.41 1.52 2vj4B1 GLU 137 H -0.00 0.21 0.25 -0.55 8.60 8.51 2vj4B1 GLU 137 HA 0.00 0.20 0.78 -0.75 4.29 4.51 2vj4B1 GLU 137 HB2 -0.01 0.05 0.09 -0.04 2.09 2.17 2vj4B1 GLU 137 HB3 -0.00 0.04 0.09 -0.04 1.99 2.07 2vj4B1 GLU 137 HG2 -0.00 -0.03 -0.06 -0.04 2.34 2.20 2vj4B1 GLU 137 HG3 -0.00 0.04 0.02 -0.04 2.34 2.35 2vj4B1 GLN 138 H -0.01 -0.35 0.27 -0.55 8.47 7.84 2vj4B1 GLN 138 HA -0.03 0.13 0.44 -0.75 4.36 4.14 2vj4B1 GLN 138 HB2 -0.01 -0.06 0.37 -0.04 2.15 2.41 2vj4B1 GLN 138 HB3 -0.01 0.16 -0.10 -0.04 2.02 2.03 2vj4B1 GLN 138 HG2 -0.04 0.07 -0.04 -0.04 2.40 2.35 2vj4B1 GLN 138 HG3 -0.05 -0.04 0.05 -0.04 2.39 2.31 2vj4B1 GLN 138 HE21 -0.03 -0.09 0.09 -0.04 6.97 6.90 2vj4B1 GLN 138 HE22 -0.07 0.12 0.01 -0.04 7.69 7.71 2vj4B1 VAL 139 H 0.00 -0.01 -0.41 -0.55 8.24 7.27 2vj4B1 VAL 139 HA 0.01 0.20 0.38 -0.75 4.13 3.96 2vj4B1 VAL 139 HB 0.01 -0.01 0.01 -0.04 2.12 2.09 2vj4B1 VAL 139 HG13 0.01 0.01 -0.12 -0.04 0.97 0.84 2vj4B1 VAL 139 HG23 0.01 0.03 -0.05 -0.04 0.95 0.89 2vj4B1 GLU 140 H 0.01 0.06 -0.33 -0.55 8.60 7.79 2vj4B1 GLU 140 HA 0.01 0.05 0.37 -0.75 4.29 3.97 2vj4B1 GLU 140 HB2 0.01 -0.00 0.14 -0.04 2.09 2.20 2vj4B1 GLU 140 HB3 0.00 0.12 0.14 -0.04 1.99 2.21 2vj4B1 GLU 140 HG2 0.01 0.03 -0.05 -0.04 2.34 2.29 2vj4B1 GLU 140 HG3 0.01 -0.01 0.05 -0.04 2.34 2.34 2vj4B1 LEU 141 H 0.00 0.39 -0.23 -0.55 8.37 7.98 2vj4B1 LEU 141 HA 0.02 0.02 0.45 -0.75 4.35 4.09 2vj4B1 LEU 141 HB2 -0.01 0.06 0.14 -0.04 1.64 1.78 2vj4B1 LEU 141 HB3 -0.01 0.03 -0.06 -0.04 1.64 1.56 2vj4B1 LEU 141 HG -0.02 -0.07 0.01 -0.04 1.64 1.52 2vj4B1 LEU 141 HD13 0.01 -0.01 0.03 -0.04 0.93 0.92 2vj4B1 LEU 141 HD23 -0.00 -0.01 -0.03 -0.04 0.89 0.81 2vj4B1 LEU 142 H 0.02 0.32 -0.30 -0.55 8.37 7.85 2vj4B1 LEU 142 HA 0.08 0.04 0.54 -0.75 4.35 4.25 2vj4B1 LEU 142 HB2 0.03 0.20 0.18 -0.04 1.64 2.00 2vj4B1 LEU 142 HB3 0.04 0.01 0.01 -0.04 1.64 1.66 2vj4B1 LEU 142 HG 0.09 0.00 -0.01 -0.04 1.64 1.68 2vj4B1 LEU 142 HD13 0.13 -0.01 -0.00 -0.04 0.93 1.00 2vj4B1 LEU 142 HD23 0.05 -0.02 -0.17 -0.04 0.89 0.71 2vj4B1 THR 143 H 0.03 0.56 -0.11 -0.55 8.28 8.22 2vj4B1 THR 143 HA 0.03 0.06 0.31 -0.75 4.39 4.03 2vj4B1 THR 143 HB 0.02 -0.09 0.10 -0.04 4.32 4.31 2vj4B1 THR 143 HG23 0.02 0.05 -0.00 -0.04 1.22 1.24 2vj4B1 ILE 145 HA 0.05 -0.13 0.30 -0.75 4.18 3.65 2vj4B1 ILE 145 HB 0.10 0.16 0.08 -0.04 1.89 2.20 2vj4B1 ILE 145 HG12 0.09 -0.15 0.10 -0.04 1.49 1.49 2vj4B1 ILE 145 HG13 0.08 0.34 0.23 -0.04 1.21 1.82 2vj4B1 ILE 145 HG23 0.08 -0.03 -0.01 -0.04 0.93 0.93 2vj4B1 ILE 145 HD13 0.23 -0.04 0.03 -0.04 0.88 1.06 2vj4B1 ILE 146 H 0.04 0.44 -1.15 -0.55 8.25 7.04 2vj4B1 ILE 146 HA 0.03 0.04 0.45 -0.75 4.18 3.95 2vj4B1 ILE 146 HB 0.03 0.13 0.09 -0.04 1.89 2.10 2vj4B1 ILE 146 HG12 0.03 -0.04 0.01 -0.04 1.49 1.45 2vj4B1 ILE 146 HG13 0.04 0.08 -0.04 -0.04 1.21 1.25 2vj4B1 ILE 146 HG23 0.02 -0.03 -0.14 -0.04 0.93 0.74 2vj4B1 ILE 146 HD13 0.03 -0.02 -0.19 -0.04 0.88 0.66 2vj4B1 ASN 147 H 0.03 0.44 0.30 -0.55 8.53 8.75 2vj4B1 ASN 147 HA 0.02 0.02 0.40 -0.75 4.76 4.44 2vj4B1 ASN 147 HB2 0.02 0.02 -0.01 -0.04 2.88 2.87 2vj4B1 ASN 147 HB3 0.01 -0.07 0.03 -0.04 2.79 2.72 2vj4B1 ASN 147 HD21 0.02 -0.04 0.03 -0.04 7.03 6.99 2vj4B1 ASN 147 HD22 0.02 -0.07 -0.05 -0.04 7.74 7.60 2vj4B1 GLU 148 H 0.03 0.19 -0.38 -0.55 8.60 7.88 2vj4B1 GLU 148 HA 0.02 0.04 0.47 -0.75 4.29 4.07 2vj4B1 GLU 148 HB2 0.03 0.14 0.09 -0.04 2.09 2.31 2vj4B1 GLU 148 HB3 0.02 -0.00 -0.01 -0.04 1.99 1.95 2vj4B1 GLU 148 HG2 0.02 -0.03 -0.00 -0.04 2.34 2.29 2vj4B1 GLU 148 HG3 0.02 -0.02 -0.02 -0.04 2.34 2.29 2vj4B1 ILE 149 H 0.02 0.40 -0.19 -0.55 8.25 7.93 2vj4B1 ILE 149 HA 0.02 0.06 0.48 -0.75 4.18 3.98 2vj4B1 ILE 149 HB 0.02 0.09 0.11 -0.04 1.89 2.07 2vj4B1 ILE 149 HG12 0.02 -0.05 -0.01 -0.04 1.49 1.41 2vj4B1 ILE 149 HG13 0.02 0.08 0.06 -0.04 1.21 1.33 2vj4B1 ILE 149 HG23 0.02 -0.02 -0.06 -0.04 0.93 0.83 2vj4B1 ILE 149 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.76 2vj4B1 ILE 150 H 0.02 0.38 -0.16 -0.55 8.25 7.94 2vj4B1 ILE 150 HA 0.01 0.08 0.38 -0.75 4.18 3.90 2vj4B1 ILE 150 HB 0.01 0.08 0.07 -0.04 1.89 2.01 2vj4B1 ILE 150 HG12 0.02 -0.06 -0.08 -0.04 1.49 1.33 2vj4B1 ILE 150 HG13 0.02 0.07 -0.02 -0.04 1.21 1.24 2vj4B1 ILE 150 HG23 0.01 -0.04 -0.19 -0.04 0.93 0.67 2vj4B1 ILE 150 HD13 0.01 -0.02 -0.08 -0.04 0.88 0.76 2vj4B1 SER 151 H 0.01 0.59 -0.11 -0.55 8.46 8.40 2vj4B1 SER 151 HA 0.01 -0.13 0.41 -0.75 4.49 4.02 2vj4B1 SER 151 HB2 0.01 0.13 0.17 -0.04 3.95 4.21 2vj4B1 SER 151 HB3 0.01 0.08 0.11 -0.04 3.93 4.09 2vj4B1 GLY 152 H 0.00 0.06 0.23 -0.55 8.43 8.17 2vj4B1 GLY 152 HA2 -0.00 -0.05 0.39 -0.51 4.01 3.84 2vj4B1 GLY 152 HA3 -0.00 0.10 0.49 -0.51 4.01 4.09 2vj4B1 SER 153 H 0.00 0.57 -0.28 -0.55 8.46 8.21 2vj4B1 SER 153 HA 0.00 0.15 0.82 -0.75 4.49 4.71 2vj4B1 SER 153 HB2 0.01 0.19 -0.03 -0.04 3.95 4.08 2vj4B1 SER 153 HB3 0.01 -0.13 0.12 -0.04 3.93 3.89 2vj4B1 GLU 154 H 0.00 -0.02 0.05 -0.55 8.60 8.08 2vj4B1 GLU 154 HA 0.01 0.05 0.24 -0.75 4.29 3.83 2vj4B1 GLU 154 HB2 -0.01 0.03 0.10 -0.04 2.09 2.18 2vj4B1 GLU 154 HB3 0.00 0.06 0.11 -0.04 1.99 2.12 2vj4B1 GLU 154 HG2 0.00 0.02 0.02 -0.04 2.34 2.34 2vj4B1 GLU 154 HG3 0.01 0.06 -0.03 -0.04 2.34 2.34 2vj4B1 SER 156 HA 0.03 -0.06 0.32 -0.75 4.49 4.03 2vj4B1 SER 156 HB2 0.01 0.01 0.10 -0.04 3.95 4.04 2vj4B1 SER 156 HB3 0.02 0.08 0.04 -0.04 3.93 4.03 2vj4B1 VAL 157 H 0.02 0.68 -0.73 -0.55 8.24 7.67 2vj4B1 VAL 157 HA 0.03 -0.03 0.50 -0.75 4.13 3.88 2vj4B1 VAL 157 HB 0.02 0.12 0.05 -0.04 2.12 2.27 2vj4B1 VAL 157 HG13 0.02 -0.02 -0.21 -0.04 0.97 0.72 2vj4B1 VAL 157 HG23 0.02 -0.01 -0.20 -0.04 0.95 0.72 2vj4B1 ASN 158 H 0.03 0.77 0.31 -0.55 8.53 9.09 2vj4B1 ASN 158 HA 0.04 0.01 0.41 -0.75 4.76 4.47 2vj4B1 ASN 158 HB2 0.04 0.12 0.06 -0.04 2.88 3.06 2vj4B1 ASN 158 HB3 0.06 -0.07 -0.15 -0.04 2.79 2.59 2vj4B1 ASN 158 HD21 0.02 -0.08 -0.03 -0.04 7.03 6.90 2vj4B1 ASN 158 HD22 0.02 0.11 -0.06 -0.04 7.74 7.78 2vj4B1 ALA 159 H 0.08 0.21 -0.35 -0.55 8.40 7.79 2vj4B1 ALA 159 HA 0.24 0.03 0.43 -0.75 4.34 4.29 2vj4B1 ALA 159 HB3 0.14 0.04 -0.03 -0.04 1.41 1.52 2vj4B1 GLY 160 H 0.09 0.37 -0.29 -0.55 8.43 8.06 2vj4B1 GLY 160 HA2 0.13 0.01 0.40 -0.51 4.01 4.04 2vj4B1 GLY 160 HA3 0.08 0.02 0.32 -0.51 4.01 3.92 2vj4B1 ILE 161 H 0.05 0.51 -0.14 -0.55 8.25 8.13 2vj4B1 ILE 161 HA 0.02 0.10 0.52 -0.75 4.18 4.06 2vj4B1 ILE 161 HB 0.03 0.01 0.16 -0.04 1.89 2.05 2vj4B1 ILE 161 HG12 -0.01 0.01 -0.02 -0.04 1.49 1.43 2vj4B1 ILE 161 HG13 0.01 0.01 0.02 -0.04 1.21 1.22 2vj4B1 ILE 161 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.77 2vj4B1 ILE 161 HD13 0.01 -0.02 -0.11 -0.04 0.88 0.72 2vj4B1 ASN 162 H 0.05 0.61 0.04 -0.55 8.53 8.68 2vj4B1 ASN 162 HA 0.01 0.01 0.30 -0.75 4.76 4.32 2vj4B1 ASN 162 HB2 0.08 0.04 0.10 -0.04 2.88 3.06 2vj4B1 ASN 162 HB3 0.02 -0.03 0.00 -0.04 2.79 2.74 2vj4B1 ASN 162 HD21 0.08 -0.02 0.03 -0.04 7.03 7.08 2vj4B1 ASN 162 HD22 0.13 -0.14 0.07 -0.04 7.74 7.76 2vj4B1 SER 163 H 0.02 0.34 -0.60 -0.55 8.46 7.68 2vj4B1 SER 163 HA -0.14 0.13 0.88 -0.75 4.49 4.60 2vj4B1 SER 163 HB2 -0.37 -0.10 0.12 -0.04 3.95 3.57 2vj4B1 SER 163 HB3 -0.38 0.02 0.02 -0.04 3.93 3.55 2vj4B1 ALA 164 H 0.01 0.59 -0.18 -0.55 8.40 8.28 2vj4B1 ALA 164 HA 0.05 -0.02 0.36 -0.75 4.34 3.98 2vj4B1 ALA 164 HB3 0.01 0.05 0.16 -0.04 1.41 1.59 2vj4B1 ILE 165 H 0.01 0.16 -0.16 -0.55 8.25 7.71 2vj4B1 ILE 165 HA 0.02 0.13 0.43 -0.75 4.18 4.00 2vj4B1 ILE 165 HB 0.00 -0.00 0.03 -0.04 1.89 1.88 2vj4B1 ILE 165 HG12 -0.00 0.01 -0.02 -0.04 1.49 1.45 2vj4B1 ILE 165 HG13 -0.00 -0.02 -0.03 -0.04 1.21 1.12 2vj4B1 ILE 165 HG23 0.00 -0.00 -0.04 -0.04 0.93 0.84 2vj4B1 ILE 165 HD13 -0.00 -0.00 -0.16 -0.04 0.88 0.68 2vj4B1 GLN 166 H 0.04 0.09 -0.29 -0.55 8.47 7.77 2vj4B1 GLN 166 HA 0.18 0.02 0.42 -0.75 4.36 4.23 2vj4B1 GLN 166 HB2 0.02 0.15 0.09 -0.04 2.15 2.36 2vj4B1 GLN 166 HB3 0.18 -0.04 -0.02 -0.04 2.02 2.10 2vj4B1 GLN 166 HG2 -0.03 -0.01 -0.00 -0.04 2.40 2.32 2vj4B1 GLN 166 HG3 -0.12 0.01 -0.23 -0.04 2.39 2.01 2vj4B1 GLN 166 HE21 0.02 -0.03 -0.06 -0.04 6.97 6.85 2vj4B1 GLN 166 HE22 -0.00 0.00 -0.07 -0.04 7.69 7.58 2vj4B1 ALA 167 H 0.18 0.52 -0.18 -0.55 8.40 8.38 2vj4B1 ALA 167 HA -0.06 -0.03 0.25 -0.75 4.34 3.74 2vj4B1 ALA 167 HB3 0.07 0.06 0.07 -0.04 1.41 1.57 2vj4B1 LEU 169 HA -0.06 -0.12 0.34 -0.75 4.35 3.76 2vj4B1 LEU 169 HB2 0.07 0.06 0.27 -0.04 1.64 2.00 2vj4B1 LEU 169 HB3 -0.17 -0.06 -0.04 -0.04 1.64 1.33 2vj4B1 LEU 169 HG -0.09 -0.07 0.01 -0.04 1.64 1.45 2vj4B1 LEU 169 HD13 -0.03 0.00 0.08 -0.04 0.93 0.94 2vj4B1 LEU 169 HD23 0.00 -0.00 -0.14 -0.04 0.89 0.71 2vj4B1 PHE 170 H 0.25 0.88 -0.09 -0.55 8.34 8.83 2vj4B1 PHE 170 HA -0.09 -0.00 0.46 -0.75 4.62 4.24 2vj4B1 PHE 170 HB2 -0.13 0.13 0.03 -0.04 3.15 3.15 2vj4B1 PHE 170 HB3 -0.27 -0.05 -0.05 -0.04 3.06 2.66 2vj4B1 PHE 170 HD2 0.01 0.12 0.02 -0.04 7.28 7.39 2vj4B1 PHE 170 HE2 -0.03 -0.05 -0.04 -0.04 7.38 7.23 2vj4B1 PHE 170 HZ -0.03 -0.04 -0.17 -0.04 7.32 7.03 2vj4B1 GLY 171 H -0.01 0.37 0.06 -0.55 8.43 8.30 2vj4B1 GLY 171 HA2 -0.12 -0.06 0.34 -0.51 4.01 3.65 2vj4B1 GLY 171 HA3 -0.06 0.01 0.34 -0.51 4.01 3.79 2vj4B1 ASN 172 H -0.04 0.09 -0.22 -0.55 8.53 7.81 2vj4B1 ASN 172 HA -0.03 0.02 0.27 -0.75 4.76 4.26 2vj4B1 ASN 172 HB2 -0.03 -0.06 0.08 -0.04 2.88 2.82 2vj4B1 ASN 172 HB3 -0.06 0.18 0.14 -0.04 2.79 3.02 2vj4B1 ASN 172 HD21 -0.02 -0.09 0.04 -0.04 7.03 6.91 2vj4B1 ASN 172 HD22 -0.02 -0.00 0.03 -0.04 7.74 7.71 2vj4B1 MET 174 HA -0.06 -0.18 0.20 -0.75 4.52 3.73 2vj4B1 MET 174 HB2 -0.28 0.19 -0.05 -0.04 2.15 1.96 2vj4B1 MET 174 HB3 -0.83 -0.13 -0.08 -0.04 2.03 0.95 2vj4B1 MET 174 HG2 -0.21 -0.13 0.03 -0.04 2.63 2.28 2vj4B1 MET 174 HG3 -0.09 0.11 0.07 -0.04 2.56 2.61 2vj4B1 MET 174 HE3 -0.32 0.03 -0.15 -0.04 2.10 1.63 2vj4B1 LEU 176 HA 0.01 -0.14 0.35 -0.75 4.35 3.82 2vj4B1 LEU 176 HB2 -0.17 0.12 -0.28 -0.04 1.64 1.27 2vj4B1 LEU 176 HB3 -0.09 -0.04 -0.22 -0.04 1.64 1.25 2vj4B1 LEU 176 HG 0.13 -0.10 -0.02 -0.04 1.64 1.61 2vj4B1 LEU 176 HD13 0.10 0.04 0.03 -0.04 0.93 1.06 2vj4B1 LEU 176 HD23 -0.27 -0.01 -0.12 -0.04 0.89 0.44 2vj4B1 GLU 177 H 0.02 0.03 0.13 -0.55 8.60 8.23 2vj4B1 GLU 177 HA -0.00 0.21 0.65 -0.75 4.29 4.40 2vj4B1 GLU 177 HB2 0.02 0.04 0.14 -0.04 2.09 2.25 2vj4B1 GLU 177 HB3 0.03 -0.09 0.18 -0.04 1.99 2.07 2vj4B1 GLU 177 HG2 0.03 -0.04 0.03 -0.04 2.34 2.31 2vj4B1 GLU 177 HG3 0.01 -0.10 0.01 -0.04 2.34 2.22 2vj4B1 PRO 178 HA -0.07 0.20 0.48 -0.51 4.44 4.54 2vj4B1 PRO 178 HB2 0.00 -0.01 0.13 -0.04 2.28 2.36 2vj4B1 PRO 178 HB3 -0.01 0.06 0.10 -0.04 2.02 2.13 2vj4B1 PRO 178 HG2 -0.00 0.02 0.09 -0.04 2.03 2.10 2vj4B1 PRO 178 HG3 -0.02 0.14 0.07 -0.04 2.03 2.18 2vj4B1 PRO 178 HD2 -0.00 0.01 0.29 -0.04 3.68 3.94 2vj4B1 PRO 178 HD3 -0.02 0.48 0.34 -0.04 3.65 4.41 2vj4B1 GLN 179 H 0.02 0.21 -0.07 -0.55 8.47 8.08 2vj4B1 GLN 179 HA 0.04 0.07 0.45 -0.75 4.36 4.17 2vj4B1 GLN 179 HB2 0.05 -0.02 0.07 -0.04 2.15 2.21 2vj4B1 GLN 179 HB3 0.04 0.11 0.09 -0.04 2.02 2.22 2vj4B1 GLN 179 HG2 0.04 0.08 0.06 -0.04 2.40 2.53 2vj4B1 GLN 179 HG3 0.03 -0.10 0.04 -0.04 2.39 2.32 2vj4B1 GLN 179 HE21 0.05 -0.00 -0.14 -0.04 6.97 6.83 2vj4B1 GLN 179 HE22 0.05 -0.02 -0.14 -0.04 7.69 7.54 2vj4B1 LEU 180 H 0.03 0.34 -0.40 -0.55 8.37 7.79 2vj4B1 LEU 180 HA 0.09 0.04 0.51 -0.75 4.35 4.23 2vj4B1 LEU 180 HB2 0.06 0.24 0.17 -0.04 1.64 2.07 2vj4B1 LEU 180 HB3 0.23 0.03 -0.06 -0.04 1.64 1.80 2vj4B1 LEU 180 HG 0.05 -0.00 0.03 -0.04 1.64 1.68 2vj4B1 LEU 180 HD13 0.04 -0.01 -0.03 -0.04 0.93 0.89 2vj4B1 LEU 180 HD23 0.05 -0.00 0.05 -0.04 0.89 0.95 2vj4B1 LEU 181 H -0.07 0.41 -0.11 -0.55 8.37 8.05 2vj4B1 LEU 181 HA -0.29 0.03 0.50 -0.75 4.35 3.84 2vj4B1 LEU 181 HB2 -0.34 0.19 0.17 -0.04 1.64 1.62 2vj4B1 LEU 181 HB3 -1.43 -0.05 0.00 -0.04 1.64 0.12 2vj4B1 LEU 181 HG -0.33 0.07 -0.09 -0.04 1.64 1.25 2vj4B1 LEU 181 HD13 -0.58 0.09 -0.18 -0.04 0.93 0.22 2vj4B1 LEU 181 HD23 -0.86 -0.02 -0.11 -0.04 0.89 -0.14 2vj4B1 ARG 182 H 0.05 0.36 -0.18 -0.55 8.46 8.13 2vj4B1 ARG 182 HA 0.24 0.08 0.44 -0.75 4.34 4.35 2vj4B1 ARG 182 HB2 0.09 0.07 0.07 -0.04 1.90 2.10 2vj4B1 ARG 182 HB3 0.08 0.09 0.16 -0.04 1.80 2.10 2vj4B1 ARG 182 HG2 0.11 -0.02 -0.22 -0.04 1.67 1.49 2vj4B1 ARG 182 HG3 0.14 -0.01 0.04 -0.04 1.67 1.79 2vj4B1 ARG 182 HD2 0.07 -0.10 0.03 -0.04 3.22 3.17 2vj4B1 ARG 182 HD3 0.06 0.17 0.04 -0.04 3.22 3.45 2vj4B1 ALA 183 H 0.12 0.45 -0.20 -0.55 8.40 8.22 2vj4B1 ALA 183 HA 0.13 0.02 0.43 -0.75 4.34 4.16 2vj4B1 ALA 183 HB3 0.11 0.05 0.13 -0.04 1.41 1.66 2vj4B1 CYS 184 H 0.20 0.34 -0.44 -0.55 8.50 8.06 2vj4B1 CYS 184 HA 0.37 -0.01 0.36 -0.75 4.58 4.54 2vj4B1 CYS 184 HB2 0.31 0.03 0.09 -0.04 2.97 3.36 2vj4B1 CYS 184 HB3 0.12 0.19 0.18 -0.04 2.97 3.43 2vj4B1 TYR 185 H 0.42 0.53 -0.13 -0.55 8.29 8.55 2vj4B1 TYR 185 HA 0.20 0.04 0.50 -0.75 4.56 4.54 2vj4B1 TYR 185 HB2 -0.03 0.03 0.07 -0.04 3.06 3.08 2vj4B1 TYR 185 HB3 0.13 0.09 0.09 -0.04 2.98 3.25 2vj4B1 TYR 185 HD2 -0.06 0.03 -0.06 -0.04 7.15 7.02 2vj4B1 TYR 185 HE2 0.04 0.01 -0.04 -0.04 6.85 6.82 2vj4B1 ARG 186 H 0.22 0.54 -0.21 -0.55 8.46 8.45 2vj4B1 ARG 186 HA -0.02 0.02 0.43 -0.75 4.34 4.01 2vj4B1 ARG 186 HB2 0.12 0.11 0.17 -0.04 1.90 2.26 2vj4B1 ARG 186 HB3 0.07 -0.04 -0.07 -0.04 1.80 1.72 2vj4B1 ARG 186 HG2 0.07 -0.03 0.07 -0.04 1.67 1.74 2vj4B1 ARG 186 HG3 0.14 -0.00 -0.04 -0.04 1.67 1.73 2vj4B1 ARG 186 HD2 0.11 0.03 -0.15 -0.04 3.22 3.16 2vj4B1 ARG 186 HD3 0.08 -0.05 -0.01 -0.04 3.22 3.20 2vj4B1 GLY 187 H 0.17 0.62 -0.16 -0.55 8.43 8.51 2vj4B1 GLY 187 HA2 0.08 -0.02 0.39 -0.51 4.01 3.95 2vj4B1 GLY 187 HA3 0.17 0.07 0.29 -0.51 4.01 4.04 2vj4B1 PHE 188 H 0.29 0.31 -0.49 -0.55 8.34 7.90 2vj4B1 PHE 188 HA 0.09 0.02 0.53 -0.75 4.62 4.51 2vj4B1 PHE 188 HB2 0.49 0.02 0.09 -0.04 3.15 3.71 2vj4B1 PHE 188 HB3 0.09 0.11 0.15 -0.04 3.06 3.37 2vj4B1 PHE 188 HD2 0.09 -0.03 -0.07 -0.04 7.28 7.24 2vj4B1 PHE 188 HE2 0.11 -0.02 -0.01 -0.04 7.38 7.43 2vj4B1 PHE 188 HZ 0.14 0.21 0.09 -0.04 7.32 7.71 2vj4B1 ILE 189 H -0.06 0.39 -0.07 -0.55 8.25 7.97 2vj4B1 ILE 189 HA -0.23 0.13 0.64 -0.75 4.18 3.96 2vj4B1 ILE 189 HB -0.10 -0.08 0.08 -0.04 1.89 1.75 2vj4B1 ILE 189 HG12 -0.32 0.15 0.12 -0.04 1.49 1.40 2vj4B1 ILE 189 HG13 -0.11 0.13 -0.11 -0.04 1.21 1.07 2vj4B1 ILE 189 HG23 -0.20 0.02 0.01 -0.04 0.93 0.71 2vj4B1 ILE 189 HD13 -0.08 -0.04 -0.09 -0.04 0.88 0.64 2vj4B1 MET 190 H -0.06 0.19 -0.35 -0.55 8.47 7.70 2vj4B1 MET 190 HA -0.08 0.20 1.02 -0.75 4.52 4.91 2vj4B1 MET 190 HB2 -0.02 0.22 0.05 -0.04 2.15 2.35 2vj4B1 MET 190 HB3 -0.03 -0.10 0.05 -0.04 2.03 1.91 2vj4B1 MET 190 HG2 -0.05 -0.02 -0.01 -0.04 2.63 2.51 2vj4B1 MET 190 HG3 -0.05 -0.04 -0.21 -0.04 2.56 2.22 2vj4B1 MET 190 HE3 0.01 -0.01 -0.02 -0.04 2.10 2.05 2vj4B1 GLY 191 H -0.07 0.28 -0.13 -0.55 8.43 7.96 2vj4B1 GLY 191 HA2 -0.04 -0.00 0.52 -0.51 4.01 3.98 2vj4B1 GLY 191 HA3 -0.05 0.05 0.40 -0.51 4.01 3.90 2vj4B1 ASN 192 H -0.05 0.05 0.10 -0.55 8.53 8.09 2vj4B1 ASN 192 HA -0.09 0.27 0.75 -0.75 4.76 4.95 2vj4B1 ASN 192 HB2 -0.06 0.08 -0.11 -0.04 2.88 2.75 2vj4B1 ASN 192 HB3 -0.04 -0.07 0.11 -0.04 2.79 2.74 2vj4B1 ASN 192 HD21 -0.05 -0.04 0.03 -0.04 7.03 6.93 2vj4B1 ASN 192 HD22 -0.04 -0.03 0.04 -0.04 7.74 7.66 2vj4B1 ILE 193 H -0.07 0.14 -0.02 -0.55 8.25 7.75 2vj4B1 ILE 193 HA -0.04 0.15 0.86 -0.75 4.18 4.39 2vj4B1 ILE 193 HB -0.04 -0.11 0.09 -0.04 1.89 1.79 2vj4B1 ILE 193 HG12 -0.07 -0.01 0.03 -0.04 1.49 1.40 2vj4B1 ILE 193 HG13 -0.10 0.14 -0.18 -0.04 1.21 1.03 2vj4B1 ILE 193 HG23 -0.03 -0.01 -0.04 -0.04 0.93 0.81 2vj4B1 ILE 193 HD13 -0.10 -0.03 -0.19 -0.04 0.88 0.53 2vj4B1 SER 194 H -0.04 0.04 0.14 -0.55 8.46 8.06 2vj4B1 SER 194 HA -0.05 0.24 0.49 -0.75 4.49 4.42 2vj4B1 SER 194 HB2 -0.04 0.05 0.17 -0.04 3.95 4.10 2vj4B1 SER 194 HB3 -0.03 0.09 0.13 -0.04 3.93 4.08 2vj4B1 THR 195 H -0.04 0.22 0.14 -0.55 8.28 8.06 2vj4B1 THR 195 HA -0.04 0.16 0.40 -0.75 4.39 4.16 2vj4B1 THR 195 HB -0.05 0.02 0.08 -0.04 4.32 4.33 2vj4B1 THR 195 HG23 -0.00 0.03 -0.29 -0.04 1.22 0.92 2vj4B1 THR 196 H -0.04 0.13 -0.07 -0.55 8.28 7.76 2vj4B1 THR 196 HA 0.02 0.13 0.42 -0.75 4.39 4.22 2vj4B1 THR 196 HB -0.00 -0.05 -0.01 -0.04 4.32 4.22 2vj4B1 THR 196 HG23 0.06 0.05 -0.02 -0.04 1.22 1.26 2vj4B1 ASP 197 H -0.02 0.05 -0.36 -0.55 8.40 7.52 2vj4B1 ASP 197 HA 0.03 0.08 0.41 -0.75 4.63 4.40 2vj4B1 ASP 197 HB2 -0.03 0.02 0.08 -0.04 2.71 2.74 2vj4B1 ASP 197 HB3 -0.02 0.05 -0.04 -0.04 2.70 2.64 2vj4B1 GLN 198 H -0.11 0.53 -0.25 -0.55 8.47 8.10 2vj4B1 GLN 198 HA -0.34 0.00 0.38 -0.75 4.36 3.64 2vj4B1 GLN 198 HB2 -0.22 0.09 0.03 -0.04 2.15 2.01 2vj4B1 GLN 198 HB3 -0.27 0.15 0.12 -0.04 2.02 1.97 2vj4B1 GLN 198 HG2 -0.30 0.08 -0.03 -0.04 2.40 2.11 2vj4B1 GLN 198 HG3 -1.84 -0.04 -0.15 -0.04 2.39 0.32 2vj4B1 GLN 198 HE21 -0.22 0.01 -0.01 -0.04 6.97 6.70 2vj4B1 GLN 198 HE22 -1.32 -0.14 0.15 -0.04 7.69 6.34 2vj4B1 TYR 199 H -0.00 0.44 -0.23 -0.55 8.29 7.95 2vj4B1 TYR 199 HA 0.00 0.06 0.46 -0.75 4.56 4.33 2vj4B1 TYR 199 HB2 -0.02 0.13 0.13 -0.04 3.06 3.27 2vj4B1 TYR 199 HB3 0.02 0.05 0.06 -0.04 2.98 3.07 2vj4B1 TYR 199 HD2 0.14 0.01 -0.06 -0.04 7.15 7.20 2vj4B1 TYR 199 HE2 0.18 0.00 -0.04 -0.04 6.85 6.95 2vj4B1 ILE 200 H 0.07 0.51 -0.19 -0.55 8.25 8.09 2vj4B1 ILE 200 HA 0.07 0.00 0.42 -0.75 4.18 3.93 2vj4B1 ILE 200 HB 0.06 0.08 0.15 -0.04 1.89 2.14 2vj4B1 ILE 200 HG12 0.01 -0.07 0.00 -0.04 1.49 1.40 2vj4B1 ILE 200 HG13 0.09 0.03 0.03 -0.04 1.21 1.32 2vj4B1 ILE 200 HG23 0.10 -0.02 -0.10 -0.04 0.93 0.86 2vj4B1 ILE 200 HD13 0.11 -0.02 -0.15 -0.04 0.88 0.77 2vj4B1 GLU 201 H -0.06 0.53 -0.26 -0.55 8.60 8.26 2vj4B1 GLU 201 HA 0.03 0.01 0.51 -0.75 4.29 4.09 2vj4B1 GLU 201 HB2 -0.04 0.01 0.07 -0.04 2.09 2.10 2vj4B1 GLU 201 HB3 -0.18 0.14 0.18 -0.04 1.99 2.09 2vj4B1 GLU 201 HG2 0.11 -0.04 -0.18 -0.04 2.34 2.19 2vj4B1 GLU 201 HG3 0.03 -0.04 0.01 -0.04 2.34 2.30 2vj4B1 TRP 202 H -0.01 0.64 -0.02 -0.55 7.97 8.03 2vj4B1 TRP 202 HA 0.24 -0.01 0.35 -0.75 4.62 4.44 2vj4B1 TRP 202 HB2 -0.05 0.10 0.15 -0.04 3.23 3.38 2vj4B1 TRP 202 HB3 0.08 -0.03 -0.03 -0.04 3.23 3.21 2vj4B1 TRP 202 HD1 0.31 -0.08 -0.06 -0.04 7.22 7.35 2vj4B1 TRP 202 HE1 0.22 0.03 -0.03 -0.04 10.20 10.38 2vj4B1 TRP 202 HE3 -0.01 0.01 -0.03 -0.04 7.59 7.52 2vj4B1 TRP 202 HZ2 0.11 0.04 -0.04 -0.04 7.44 7.50 2vj4B1 TRP 202 HZ3 0.05 -0.02 -0.03 -0.04 7.13 7.10 2vj4B1 TRP 202 HH2 -0.48 0.03 -0.02 -0.04 7.19 6.68 2vj4B1 LEU 203 H 0.10 0.57 -0.29 -0.55 8.37 8.20 2vj4B1 LEU 203 HA 0.07 0.01 0.25 -0.75 4.35 3.93 2vj4B1 LEU 203 HB2 -0.01 0.29 0.13 -0.04 1.64 2.00 2vj4B1 LEU 203 HB3 0.07 0.06 -0.05 -0.04 1.64 1.68 2vj4B1 LEU 203 HG 0.01 0.02 -0.04 -0.04 1.64 1.59 2vj4B1 LEU 203 HD13 0.13 -0.01 -0.06 -0.04 0.93 0.95 2vj4B1 LEU 203 HD23 0.18 -0.02 -0.11 -0.04 0.89 0.90 2vj4B1 GLY 204 H 0.09 0.38 -0.46 -0.55 8.43 7.89 2vj4B1 GLY 204 HA2 0.05 -0.03 0.47 -0.51 4.01 3.99 2vj4B1 GLY 204 HA3 0.04 0.03 0.33 -0.51 4.01 3.90 2vj4B1 ASN 205 H 0.00 0.67 0.12 -0.55 8.53 8.78 2vj4B1 ASN 205 HA -0.17 -0.01 0.38 -0.75 4.76 4.21 2vj4B1 ASN 205 HB2 -0.54 -0.01 0.09 -0.04 2.88 2.38 2vj4B1 ASN 205 HB3 -0.90 -0.02 -0.05 -0.04 2.79 1.78 2vj4B1 ASN 205 HD21 0.07 -0.06 -0.07 -0.04 7.03 6.93 2vj4B1 ASN 205 HD22 0.13 0.00 -0.11 -0.04 7.74 7.72 2vj4B1 PHE 206 H 0.07 0.54 -0.03 -0.55 8.34 8.37 2vj4B1 PHE 206 HA 0.07 0.19 0.89 -0.75 4.62 5.02 2vj4B1 PHE 206 HB2 0.03 0.04 -0.07 -0.04 3.15 3.10 2vj4B1 PHE 206 HB3 0.07 -0.01 0.04 -0.04 3.06 3.12 2vj4B1 PHE 206 HD2 -0.01 0.06 -0.02 -0.04 7.28 7.27 2vj4B1 PHE 206 HE2 -0.01 -0.03 -0.11 -0.04 7.38 7.19 2vj4B1 PHE 206 HZ -0.02 0.04 -0.09 -0.04 7.32 7.22 2vj4B1 GLY 207 H 0.13 0.26 -0.26 -0.55 8.43 8.03 2vj4B1 GLY 207 HA2 0.09 0.17 0.39 -0.51 4.01 4.15 2vj4B1 GLY 207 HA3 0.07 0.09 0.57 -0.51 4.01 4.23 2vj4B1 PHE 208 H 0.19 0.14 0.18 -0.55 8.34 8.30 2vj4B1 PHE 208 HA -0.04 0.07 0.39 -0.75 4.62 4.29 2vj4B1 PHE 208 HB2 -0.02 -0.01 0.18 -0.04 3.15 3.26 2vj4B1 PHE 208 HB3 -0.04 -0.01 0.13 -0.04 3.06 3.10 2vj4B1 PHE 208 HD2 -0.02 0.03 -0.05 -0.04 7.28 7.20 2vj4B1 PHE 208 HE2 0.01 0.07 -0.12 -0.04 7.38 7.30 2vj4B1 PHE 208 HZ 0.01 0.07 -0.09 -0.04 7.32 7.27 2vj4B1 ASN 209 H 0.04 0.10 -0.04 -0.55 8.53 8.08 2vj4B1 ASN 209 HA -0.09 0.04 0.43 -0.75 4.76 4.38 2vj4B1 ASN 209 HB2 -0.18 0.05 0.05 -0.04 2.88 2.76 2vj4B1 ASN 209 HB3 -0.07 -0.05 0.12 -0.04 2.79 2.75 2vj4B1 ASN 209 HD21 -0.49 0.11 0.02 -0.04 7.03 6.63 2vj4B1 ASN 209 HD22 -0.32 -0.02 0.00 -0.04 7.74 7.37 2vj4B1 HIS 210 H -0.08 0.27 -0.46 -0.55 8.41 7.59 2vj4B1 HIS 210 HA -0.06 0.14 0.82 -0.75 4.63 4.78 2vj4B1 HIS 210 HB2 0.04 0.16 -0.16 -0.04 3.26 3.26 2vj4B1 HIS 210 HB3 -0.10 -0.08 0.02 -0.04 3.20 3.00 2vj4B1 HIS 210 HD2 0.09 0.13 0.08 -0.04 6.97 7.22 2vj4B1 HIS 210 HE1 -0.00 0.00 0.02 -0.04 7.75 7.73 2vj4B1 ARG 211 H -0.14 0.41 -0.20 -0.55 8.46 7.98 2vj4B1 ARG 211 HA -0.06 0.04 0.23 -0.75 4.34 3.80 2vj4B1 ARG 211 HB2 -0.31 -0.03 0.01 -0.04 1.90 1.53 2vj4B1 ARG 211 HB3 -0.17 0.06 0.03 -0.04 1.80 1.68 2vj4B1 ARG 211 HG2 -0.59 0.22 0.11 -0.04 1.67 1.37 2vj4B1 ARG 211 HG3 -0.62 -0.04 -0.13 -0.04 1.67 0.84 2vj4B1 ARG 211 HD2 -0.20 -0.04 -0.03 -0.04 3.22 2.92 2vj4B1 ARG 211 HD3 -0.62 -0.05 0.07 -0.04 3.22 2.58 2vj4B1 HIS 212 H -0.15 0.18 -0.26 -0.55 8.41 7.64 2vj4B1 HIS 212 HA 0.05 0.12 0.62 -0.75 4.63 4.67 2vj4B1 HIS 212 HB2 -0.01 0.04 0.06 -0.04 3.26 3.31 2vj4B1 HIS 212 HB3 0.02 0.01 -0.01 -0.04 3.20 3.18 2vj4B1 HIS 212 HD2 -0.02 0.01 -0.01 -0.04 6.97 6.91 2vj4B1 HIS 212 HE1 0.14 0.00 -0.03 -0.04 7.75 7.82 2vj4B1 THR 213 H 0.05 0.17 -0.11 -0.55 8.28 7.84 2vj4B1 THR 213 HA 0.07 0.03 0.41 -0.75 4.39 4.14 2vj4B1 THR 213 HB -0.01 0.13 0.07 -0.04 4.32 4.47 2vj4B1 THR 213 HG23 0.14 0.01 0.00 -0.04 1.22 1.34 2vj4B1 ILE 214 H -0.15 0.49 -0.30 -0.55 8.25 7.73 2vj4B1 ILE 214 HA -0.47 0.07 0.43 -0.75 4.18 3.46 2vj4B1 ILE 214 HB -0.44 0.15 0.00 -0.04 1.89 1.56 2vj4B1 ILE 214 HG12 -1.20 -0.03 -0.05 -0.04 1.49 0.17 2vj4B1 ILE 214 HG13 -1.09 -0.05 -0.02 -0.04 1.21 0.02 2vj4B1 ILE 214 HG23 -0.47 0.06 -0.10 -0.04 0.93 0.38 2vj4B1 ILE 214 HD13 -1.22 0.01 -0.05 -0.04 0.88 -0.42 2vj4B1 VAL 215 H -0.14 0.33 -0.28 -0.55 8.24 7.59 2vj4B1 VAL 215 HA -0.34 0.07 0.53 -0.75 4.13 3.63 2vj4B1 VAL 215 HB 0.19 0.00 0.11 -0.04 2.12 2.38 2vj4B1 VAL 215 HG13 0.17 0.10 0.15 -0.04 0.97 1.35 2vj4B1 VAL 215 HG23 0.04 -0.00 -0.08 -0.04 0.95 0.87 2vj4B1 ASN 216 H -0.11 0.29 -0.34 -0.55 8.53 7.83 2vj4B1 ASN 216 HA -0.07 0.02 0.41 -0.75 4.76 4.37 2vj4B1 ASN 216 HB2 0.06 0.24 0.19 -0.04 2.88 3.33 2vj4B1 ASN 216 HB3 0.16 -0.03 0.00 -0.04 2.79 2.88 2vj4B1 ASN 216 HD21 0.05 -0.04 -0.05 -0.04 7.03 6.95 2vj4B1 ASN 216 HD22 0.12 0.02 -0.00 -0.04 7.74 7.83 2vj4B1 PHE 217 H -0.42 0.50 -0.13 -0.55 8.34 7.75 2vj4B1 PHE 217 HA -1.61 0.02 0.40 -0.75 4.62 2.67 2vj4B1 PHE 217 HB2 -1.52 0.04 0.05 -0.04 3.15 1.68 2vj4B1 PHE 217 HB3 -0.76 0.14 0.14 -0.04 3.06 2.53 2vj4B1 PHE 217 HD2 -0.57 0.05 -0.13 -0.04 7.28 6.58 2vj4B1 PHE 217 HE2 -0.13 -0.01 -0.18 -0.04 7.38 7.02 2vj4B1 PHE 217 HZ -0.09 0.03 -0.21 -0.04 7.32 7.00 2vj4B1 VAL 218 H -0.45 0.39 -0.31 -0.55 8.24 7.32 2vj4B1 VAL 218 HA -0.59 0.04 0.50 -0.75 4.13 3.32 2vj4B1 VAL 218 HB -0.41 0.10 0.15 -0.04 2.12 1.91 2vj4B1 VAL 218 HG13 -0.56 -0.01 -0.05 -0.04 0.97 0.31 2vj4B1 VAL 218 HG23 -0.41 0.05 -0.01 -0.04 0.95 0.54 2vj4B1 GLU 219 H -0.27 0.47 -0.19 -0.55 8.60 8.06 2vj4B1 GLU 219 HA -0.10 0.05 0.44 -0.75 4.29 3.92 2vj4B1 GLU 219 HB2 -0.08 0.08 0.12 -0.04 2.09 2.17 2vj4B1 GLU 219 HB3 -0.11 0.09 0.20 -0.04 1.99 2.13 2vj4B1 GLU 219 HG2 -0.06 -0.03 -0.21 -0.04 2.34 2.00 2vj4B1 GLU 219 HG3 -0.04 -0.02 0.02 -0.04 2.34 2.25 2vj4B1 GLN 220 H -0.24 0.67 -0.05 -0.55 8.47 8.30 2vj4B1 GLN 220 HA -0.10 -0.00 0.47 -0.75 4.36 3.97 2vj4B1 GLN 220 HB2 -0.13 0.10 0.12 -0.04 2.15 2.20 2vj4B1 GLN 220 HB3 0.03 -0.04 0.02 -0.04 2.02 1.98 2vj4B1 GLN 220 HG2 0.03 0.16 0.08 -0.04 2.40 2.63 2vj4B1 GLN 220 HG3 0.28 -0.02 -0.02 -0.04 2.39 2.60 2vj4B1 GLN 220 HE21 -0.00 -0.03 -0.01 -0.04 6.97 6.89 2vj4B1 GLN 220 HE22 0.04 0.03 0.00 -0.04 7.69 7.72 2vj4B1 SER 221 H -0.58 0.49 -0.32 -0.55 8.46 7.50 2vj4B1 SER 221 HA -0.44 0.02 0.51 -0.75 4.49 3.82 2vj4B1 SER 221 HB2 -1.17 0.08 0.19 -0.04 3.95 3.01 2vj4B1 SER 221 HB3 -1.56 -0.07 0.04 -0.04 3.93 2.30 2vj4B1 LEU 222 H -0.22 0.58 -0.19 -0.55 8.37 7.99 2vj4B1 LEU 222 HA 0.16 -0.03 0.40 -0.75 4.35 4.13 2vj4B1 LEU 222 HB2 0.20 0.08 0.12 -0.04 1.64 2.01 2vj4B1 LEU 222 HB3 -0.01 0.12 0.20 -0.04 1.64 1.91 2vj4B1 LEU 222 HG -0.05 -0.04 -0.20 -0.04 1.64 1.31 2vj4B1 LEU 222 HD13 0.23 -0.03 0.02 -0.04 0.93 1.10 2vj4B1 LEU 222 HD23 0.13 0.01 -0.08 -0.04 0.89 0.90 2vj4B1 ILE 223 H -0.12 0.59 -0.12 -0.55 8.25 8.04 2vj4B1 ILE 223 HA -0.13 -0.02 0.37 -0.75 4.18 3.65 2vj4B1 ILE 223 HB -0.10 0.14 0.17 -0.04 1.89 2.07 2vj4B1 ILE 223 HG12 -0.07 -0.07 0.02 -0.04 1.49 1.33 2vj4B1 ILE 223 HG13 -0.08 0.05 0.08 -0.04 1.21 1.22 2vj4B1 ILE 223 HG23 -0.07 -0.02 -0.18 -0.04 0.93 0.62 2vj4B1 ILE 223 HD13 -0.06 -0.02 -0.10 -0.04 0.88 0.66 2vj4B1 VAL 224 H -0.13 0.49 -0.20 -0.55 8.24 7.84 2vj4B1 VAL 224 HA -0.07 0.00 0.48 -0.75 4.13 3.78 2vj4B1 VAL 224 HB -0.13 0.13 0.17 -0.04 2.12 2.24 2vj4B1 VAL 224 HG13 -0.05 -0.02 -0.01 -0.04 0.97 0.84 2vj4B1 VAL 224 HG23 -0.07 0.01 0.05 -0.04 0.95 0.90 2vj4B1 ASP 225 H -0.10 0.57 -0.16 -0.55 8.40 8.17 2vj4B1 ASP 225 HA 0.06 -0.02 0.45 -0.75 4.63 4.36 2vj4B1 ASP 225 HB2 0.10 0.25 0.16 -0.04 2.71 3.18 2vj4B1 ASP 225 HB3 0.16 0.07 0.13 -0.04 2.70 3.01 2vj4B1 MET 226 H -0.24 0.63 -0.10 -0.55 8.47 8.21 2vj4B1 MET 226 HA -0.41 -0.02 0.42 -0.75 4.52 3.76 2vj4B1 MET 226 HB2 -0.29 0.15 0.10 -0.04 2.15 2.07 2vj4B1 MET 226 HB3 -0.33 -0.07 0.03 -0.04 2.03 1.61 2vj4B1 MET 226 HG2 -1.91 -0.09 0.01 -0.04 2.63 0.59 2vj4B1 MET 226 HG3 -0.87 0.17 0.04 -0.04 2.56 1.86 2vj4B1 MET 226 HE3 -0.23 -0.02 -0.06 -0.04 2.10 1.74 2vj4B1 ASP 227 H -0.09 0.29 -0.46 -0.55 8.40 7.60 2vj4B1 ASP 227 HA -0.05 0.08 0.72 -0.75 4.63 4.62 2vj4B1 ASP 227 HB2 -0.06 0.09 0.12 -0.04 2.71 2.82 2vj4B1 ASP 227 HB3 -0.04 -0.11 0.11 -0.04 2.70 2.62 2vj4B1 SER 228 H -0.00 0.32 -0.32 -0.55 8.46 7.91 2vj4B1 SER 228 HA -0.00 -0.01 0.54 -0.75 4.49 4.26 2vj4B1 SER 228 HB2 0.06 0.17 0.24 -0.04 3.95 4.38 2vj4B1 SER 228 HB3 0.03 -0.16 0.15 -0.04 3.93 3.91 2vj4B1 GLU 229 H 0.00 0.08 0.11 -0.55 8.60 8.24 2vj4B1 GLU 229 HA 0.01 0.16 0.38 -0.75 4.29 4.09 2vj4B1 GLU 229 HB2 -0.01 0.12 -0.03 -0.04 2.09 2.13 2vj4B1 GLU 229 HB3 -0.01 -0.07 0.02 -0.04 1.99 1.88 2vj4B1 GLU 229 HG2 -0.01 -0.01 0.00 -0.04 2.34 2.28 2vj4B1 GLU 229 HG3 0.01 0.03 0.03 -0.04 2.34 2.36 2vj4B1 PRO 231 HA 0.18 -0.04 0.29 -0.51 4.44 4.36 2vj4B1 PRO 231 HB2 0.27 0.06 -0.02 -0.04 2.28 2.54 2vj4B1 PRO 231 HB3 0.47 0.05 0.00 -0.04 2.02 2.50 2vj4B1 PRO 231 HG2 0.16 -0.08 -0.06 -0.04 2.03 2.01 2vj4B1 PRO 231 HG3 0.12 0.23 -0.11 -0.04 2.03 2.22 2vj4B1 PRO 231 HD2 0.07 -0.08 0.36 -0.04 3.68 4.00 2vj4B1 PRO 231 HD3 0.06 0.04 -7.33 -0.04 3.65 -3.61 2vj4B1 SER 232 H 0.23 0.14 0.01 -0.55 8.46 8.29 2vj4B1 SER 232 HA 0.02 0.08 0.34 -0.75 4.49 4.18 2vj4B1 SER 232 HB2 0.03 0.01 -0.07 -0.04 3.95 3.88 2vj4B1 SER 232 HB3 0.14 -0.02 -0.13 -0.04 3.93 3.87 2vj4B1 CYS 233 H -0.43 0.15 -0.26 -0.55 8.50 7.41 2vj4B1 CYS 233 HA -0.24 0.18 0.80 -0.75 4.58 4.57 2vj4B1 CYS 233 HB2 -1.69 0.03 -0.14 -0.04 2.97 1.13 2vj4B1 CYS 233 HB3 -0.42 -0.19 0.05 -0.04 2.97 2.37 2vj4B1 ASN 234 H -0.14 0.04 0.13 -0.55 8.53 8.01 2vj4B1 ASN 234 HA 0.01 0.30 0.67 -0.75 4.76 4.99 2vj4B1 ASN 234 HB2 0.09 -0.06 0.20 -0.04 2.88 3.07 2vj4B1 ASN 234 HB3 0.02 0.13 0.09 -0.04 2.79 2.99 2vj4B1 ASN 234 HD21 0.04 0.04 0.04 -0.04 7.03 7.10 2vj4B1 ASN 234 HD22 0.01 0.11 0.05 -0.04 7.74 7.87 2vj4B1 ALA 235 H 0.06 0.19 0.17 -0.55 8.40 8.27 2vj4B1 ALA 235 HA 0.14 0.18 0.38 -0.75 4.34 4.28 2vj4B1 ALA 235 HB3 -0.16 0.03 0.12 -0.04 1.41 1.35 2vj4B1 TYR 236 H 0.11 0.09 -0.04 -0.55 8.29 7.91 2vj4B1 TYR 236 HA 0.02 0.12 0.43 -0.75 4.56 4.37 2vj4B1 TYR 236 HB2 0.06 -0.02 0.06 -0.04 3.06 3.12 2vj4B1 TYR 236 HB3 0.09 0.06 0.03 -0.04 2.98 3.12 2vj4B1 TYR 236 HD2 0.01 -0.01 0.06 -0.04 7.15 7.16 2vj4B1 TYR 236 HE2 0.01 0.02 0.02 -0.04 6.85 6.86 2vj4B1 GLU 237 H 0.13 0.05 -0.32 -0.55 8.60 7.91 2vj4B1 GLU 237 HA 0.29 0.11 0.53 -0.75 4.29 4.47 2vj4B1 GLU 237 HB2 -0.15 0.02 0.08 -0.04 2.09 2.00 2vj4B1 GLU 237 HB3 -0.03 0.14 0.08 -0.04 1.99 2.13 2vj4B1 GLU 237 HG2 0.06 0.06 0.01 -0.04 2.34 2.43 2vj4B1 GLU 237 HG3 0.07 -0.16 0.05 -0.04 2.34 2.26 2vj4B1 PHE 238 H 0.07 0.51 -0.13 -0.55 8.34 8.24 2vj4B1 PHE 238 HA 0.07 0.07 0.44 -0.75 4.62 4.45 2vj4B1 PHE 238 HB2 0.01 0.10 0.10 -0.04 3.15 3.31 2vj4B1 PHE 238 HB3 0.02 -0.01 -0.04 -0.04 3.06 2.99 2vj4B1 PHE 238 HD2 0.05 -0.02 -0.11 -0.04 7.28 7.15 2vj4B1 PHE 238 HE2 0.07 0.08 -0.07 -0.04 7.38 7.42 2vj4B1 PHE 238 HZ 0.06 -0.08 -0.19 -0.04 7.32 7.06 2vj4B1 GLY 239 H 0.12 0.31 -0.40 -0.55 8.43 7.91 2vj4B1 GLY 239 HA2 0.01 0.01 0.41 -0.51 4.01 3.93 2vj4B1 GLY 239 HA3 -0.07 0.05 0.29 -0.51 4.01 3.78 2vj4B1 PHE 240 H 0.18 0.29 -0.21 -0.55 8.34 8.04 2vj4B1 PHE 240 HA 0.02 -0.01 0.49 -0.75 4.62 4.37 2vj4B1 PHE 240 HB2 0.00 0.12 0.21 -0.04 3.15 3.44 2vj4B1 PHE 240 HB3 -0.02 0.04 0.02 -0.04 3.06 3.05 2vj4B1 PHE 240 HD2 0.02 0.03 0.04 -0.04 7.28 7.33 2vj4B1 PHE 240 HE2 0.02 -0.05 -0.01 -0.04 7.38 7.29 2vj4B1 PHE 240 HZ 0.01 -0.05 -0.00 -0.04 7.32 7.24 2vj4B1 VAL 241 H 0.19 0.37 -0.12 -0.55 8.24 8.13 2vj4B1 VAL 241 HA 0.06 0.08 0.41 -0.75 4.13 3.93 2vj4B1 VAL 241 HB 0.28 0.00 0.17 -0.04 2.12 2.53 2vj4B1 VAL 241 HG13 0.34 -0.01 -0.07 -0.04 0.97 1.18 2vj4B1 VAL 241 HG23 0.04 0.04 0.06 -0.04 0.95 1.05 2vj4B1 LEU 242 H 0.14 0.57 -0.17 -0.55 8.37 8.36 2vj4B1 LEU 242 HA 0.12 0.00 0.43 -0.75 4.35 4.15 2vj4B1 LEU 242 HB2 0.04 0.09 0.16 -0.04 1.64 1.90 2vj4B1 LEU 242 HB3 0.03 -0.09 -0.02 -0.04 1.64 1.52 2vj4B1 LEU 242 HG 0.09 0.10 0.02 -0.04 1.64 1.80 2vj4B1 LEU 242 HD13 0.00 -0.04 -0.10 -0.04 0.93 0.76 2vj4B1 LEU 242 HD23 0.01 -0.02 -0.02 -0.04 0.89 0.82 2vj4B1 SER 243 H 0.05 0.44 -0.21 -0.55 8.46 8.20 2vj4B1 SER 243 HA 0.03 -0.05 0.31 -0.75 4.49 4.02 2vj4B1 SER 243 HB2 0.06 0.19 0.19 -0.04 3.95 4.35 2vj4B1 SER 243 HB3 0.03 -0.11 0.14 -0.04 3.93 3.94 2vj4B1 LEU 245 HA 0.32 -0.14 0.37 -0.75 4.35 4.14 2vj4B1 LEU 245 HB2 0.29 0.05 0.12 -0.04 1.64 2.05 2vj4B1 LEU 245 HB3 0.15 0.09 0.13 -0.04 1.64 1.97 2vj4B1 LEU 245 HG 0.06 -0.02 -0.20 -0.04 1.64 1.44 2vj4B1 LEU 245 HD13 -0.03 -0.02 0.04 -0.04 0.93 0.87 2vj4B1 LEU 245 HD23 0.03 -0.02 -0.03 -0.04 0.89 0.83 2vj4B1 ILE 246 H 0.09 0.69 -0.46 -0.55 8.25 8.02 2vj4B1 ILE 246 HA 0.04 -0.02 0.44 -0.75 4.18 3.89 2vj4B1 ILE 246 HB 0.04 0.15 0.12 -0.04 1.89 2.15 2vj4B1 ILE 246 HG12 0.01 -0.07 0.02 -0.04 1.49 1.40 2vj4B1 ILE 246 HG13 0.01 -0.02 0.08 -0.04 1.21 1.23 2vj4B1 ILE 246 HG23 0.02 0.01 -0.05 -0.04 0.93 0.86 2vj4B1 ILE 246 HD13 0.01 -0.01 0.00 -0.04 0.88 0.85 2vj4B1 ALA 247 H 0.06 0.60 0.23 -0.55 8.40 8.75 2vj4B1 ALA 247 HA -0.01 -0.01 0.44 -0.75 4.34 4.01 2vj4B1 ALA 247 HB3 0.02 -0.01 0.05 -0.04 1.41 1.43 2vj4B1 ILE 248 H 0.12 0.22 -0.34 -0.55 8.25 7.71 2vj4B1 ILE 248 HA 0.06 -0.04 0.30 -0.75 4.18 3.75 2vj4B1 ILE 248 HB 0.22 0.30 0.19 -0.04 1.89 2.56 2vj4B1 ILE 248 HG12 0.20 -0.05 -0.01 -0.04 1.49 1.59 2vj4B1 ILE 248 HG13 0.42 0.06 0.04 -0.04 1.21 1.69 2vj4B1 ILE 248 HG23 0.42 -0.03 0.09 -0.04 0.93 1.37 2vj4B1 ILE 248 HD13 0.07 -0.03 0.01 -0.04 0.88 0.90 2vj4B1 MET 250 HA -0.04 -0.11 0.37 -0.75 4.52 3.98 2vj4B1 MET 250 HB2 -0.06 0.22 0.12 -0.04 2.15 2.38 2vj4B1 MET 250 HB3 -0.09 -0.09 -0.05 -0.04 2.03 1.76 2vj4B1 MET 250 HG2 -0.03 -0.10 0.09 -0.04 2.63 2.55 2vj4B1 MET 250 HG3 -0.02 0.20 0.10 -0.04 2.56 2.80 2vj4B1 MET 250 HE3 -0.01 -0.01 -0.00 -0.04 2.10 2.04 2vj4B1 ILE 251 H -0.12 0.55 -1.02 -0.55 8.25 7.11 2vj4B1 ILE 251 HA -0.23 -0.00 0.48 -0.75 4.18 3.67 2vj4B1 ILE 251 HB -0.38 0.25 0.19 -0.04 1.89 1.90 2vj4B1 ILE 251 HG12 -0.27 -0.04 0.01 -0.04 1.49 1.15 2vj4B1 ILE 251 HG13 -0.17 0.29 0.01 -0.04 1.21 1.30 2vj4B1 ILE 251 HG23 -0.80 -0.04 -0.10 -0.04 0.93 -0.05 2vj4B1 ILE 251 HD13 -0.12 -0.03 -0.15 -0.04 0.88 0.54 2vj4B1 ARG 252 H -0.08 0.61 0.26 -0.55 8.46 8.69 2vj4B1 ARG 252 HA 0.10 0.01 0.44 -0.75 4.34 4.14 2vj4B1 ARG 252 HB2 0.20 0.08 0.09 -0.04 1.90 2.24 2vj4B1 ARG 252 HB3 0.01 0.04 -0.04 -0.04 1.80 1.78 2vj4B1 ARG 252 HG2 -0.24 -0.02 -0.15 -0.04 1.67 1.22 2vj4B1 ARG 252 HG3 -0.10 -0.05 0.03 -0.04 1.67 1.51 2vj4B1 ARG 252 HD2 -0.20 -0.06 0.01 -0.04 3.22 2.92 2vj4B1 ARG 252 HD3 0.17 0.04 0.06 -0.04 3.22 3.45 2vj4B1 THR 253 H -0.04 0.21 -0.39 -0.55 8.28 7.51 2vj4B1 THR 253 HA -0.02 0.01 0.41 -0.75 4.39 4.04 2vj4B1 THR 253 HB -0.02 0.21 0.20 -0.04 4.32 4.67 2vj4B1 THR 253 HG23 0.00 -0.01 -0.03 -0.04 1.22 1.14 2vj4B1 SER 254 H -0.03 0.53 -0.04 -0.55 8.46 8.38 2vj4B1 SER 254 HA 0.08 0.06 0.52 -0.75 4.49 4.40 2vj4B1 SER 254 HB2 0.18 -0.03 0.03 -0.04 3.95 4.09 2vj4B1 SER 254 HB3 -0.02 0.02 0.13 -0.04 3.93 4.01 2vj4B1 ASP 255 H 0.06 0.66 -0.12 -0.55 8.40 8.44 2vj4B1 ASP 255 HA 0.24 -0.04 0.35 -0.75 4.63 4.43 2vj4B1 ASP 255 HB2 0.16 0.06 0.11 -0.04 2.71 3.00 2vj4B1 ASP 255 HB3 0.24 0.22 0.21 -0.04 2.70 3.33 2vj4B1 VAL 256 H 0.09 0.60 -0.19 -0.55 8.24 8.19 2vj4B1 VAL 256 HA 0.12 -0.04 0.40 -0.75 4.13 3.86 2vj4B1 VAL 256 HB 0.01 0.13 0.14 -0.04 2.12 2.36 2vj4B1 VAL 256 HG13 0.02 -0.02 -0.11 -0.04 0.97 0.82 2vj4B1 VAL 256 HG23 -0.08 0.03 0.02 -0.04 0.95 0.88 2vj4B1 ILE 257 H 0.09 0.48 -0.16 -0.55 8.25 8.11 2vj4B1 ILE 257 HA 0.06 -0.04 0.43 -0.75 4.18 3.88 2vj4B1 ILE 257 HB 0.11 0.05 0.24 -0.04 1.89 2.25 2vj4B1 ILE 257 HG12 0.05 -0.10 0.04 -0.04 1.49 1.44 2vj4B1 ILE 257 HG13 0.05 0.08 0.10 -0.04 1.21 1.40 2vj4B1 ILE 257 HG23 0.09 -0.01 -0.12 -0.04 0.93 0.85 2vj4B1 ILE 257 HD13 0.05 -0.02 -0.04 -0.04 0.88 0.84 2vj4B1 PHE 258 H 0.24 0.83 0.02 -0.55 8.34 8.88 2vj4B1 PHE 258 HA -0.03 -0.03 0.35 -0.75 4.62 4.15 2vj4B1 PHE 258 HB2 0.02 0.01 0.07 -0.04 3.15 3.21 2vj4B1 PHE 258 HB3 0.03 0.12 0.12 -0.04 3.06 3.28 2vj4B1 PHE 258 HD2 -0.09 0.03 -0.03 -0.04 7.28 7.14 2vj4B1 PHE 258 HE2 -0.52 -0.09 -0.39 -0.04 7.38 6.34 2vj4B1 PHE 258 HZ -0.34 -0.06 -0.14 -0.04 7.32 6.74 2vj4B1 MET 259 H 0.11 0.49 -0.37 -0.55 8.47 8.15 2vj4B1 MET 259 HA -0.21 -0.04 0.20 -0.75 4.52 3.72 2vj4B1 MET 259 HB2 0.08 0.17 0.13 -0.04 2.15 2.49 2vj4B1 MET 259 HB3 0.04 -0.12 0.10 -0.04 2.03 2.00 2vj4B1 MET 259 HG2 0.16 0.22 0.00 -0.04 2.63 2.98 2vj4B1 MET 259 HG3 0.15 -0.08 -0.03 -0.04 2.56 2.56 2vj4B1 MET 259 HE3 0.33 0.01 -0.06 -0.04 2.10 2.33 2vj4B1 LEU 262 HA -0.20 -0.11 0.29 -0.75 4.35 3.58 2vj4B1 LEU 262 HB2 -0.28 0.15 -0.91 -0.04 1.64 0.56 2vj4B1 LEU 262 HB3 -0.22 -0.16 -0.21 -0.04 1.64 1.01 2vj4B1 LEU 262 HG -0.91 0.26 -0.05 -0.04 1.64 0.91 2vj4B1 LEU 262 HD13 -0.79 -0.02 -0.22 -0.04 0.93 -0.15 2vj4B1 LEU 262 HD23 -0.30 -0.04 -0.08 -0.04 0.89 0.43 2vj4B1 GLU 263 H -0.09 0.57 0.31 -0.55 8.60 8.85 2vj4B1 GLU 263 HA -0.04 -0.01 0.55 -0.75 4.29 4.04 2vj4B1 GLU 263 HB2 -0.02 0.01 0.16 -0.04 2.09 2.21 2vj4B1 GLU 263 HB3 -0.03 0.12 0.13 -0.04 1.99 2.17 2vj4B1 GLU 263 HG2 -0.01 -0.01 -0.14 -0.04 2.34 2.14 2vj4B1 GLU 263 HG3 -0.01 -0.03 -0.30 -0.04 2.34 1.96 2vj4B1 SER 264 H -0.03 0.23 -0.12 -0.55 8.46 8.00 2vj4B1 SER 264 HA -0.00 0.09 0.40 -0.75 4.49 4.22 2vj4B1 SER 264 HB2 0.01 -0.01 0.05 -0.04 3.95 3.95 2vj4B1 SER 264 HB3 -0.00 0.02 0.05 -0.04 3.93 3.96 2vj4B1 SER 265 H -0.05 0.10 -0.48 -0.55 8.46 7.48 2vj4B1 SER 265 HA -0.02 0.11 0.56 -0.75 4.49 4.39 2vj4B1 SER 265 HB2 -0.10 0.05 0.06 -0.04 3.95 3.91 2vj4B1 SER 265 HB3 -0.17 -0.04 -0.04 -0.04 3.93 3.63 2vj4B1 SER 266 H -0.04 0.24 -0.35 -0.55 8.46 7.77 2vj4B1 SER 266 HA -0.01 -0.01 0.39 -0.75 4.49 4.10 2vj4B1 SER 266 HB2 0.07 -0.05 0.27 -0.04 3.95 4.21 2vj4B1 SER 266 HB3 0.03 0.00 0.09 -0.04 3.93 4.01 2vj4B1 LEU 267 H -0.12 0.31 -0.18 -0.55 8.37 7.83 2vj4B1 LEU 267 HA -0.17 0.13 0.38 -0.75 4.35 3.94 2vj4B1 LEU 267 HB2 -0.16 0.03 -0.00 -0.04 1.64 1.47 2vj4B1 LEU 267 HB3 -0.11 -0.05 0.04 -0.04 1.64 1.48 2vj4B1 LEU 267 HG -0.43 0.08 -0.16 -0.04 1.64 1.09 2vj4B1 LEU 267 HD13 -0.11 -0.01 -0.07 -0.04 0.93 0.71 2vj4B1 LEU 267 HD23 -0.33 -0.01 -0.05 -0.04 0.89 0.45 2vj4B1 LEU 268 H -0.03 0.07 -0.68 -0.55 8.37 7.17 2vj4B1 LEU 268 HA -0.03 0.21 0.78 -0.75 4.35 4.56 2vj4B1 LEU 268 HB2 -0.05 0.04 -0.03 -0.04 1.64 1.56 2vj4B1 LEU 268 HB3 -0.05 -0.02 0.06 -0.04 1.64 1.58 2vj4B1 LEU 268 HG -0.11 -0.04 -0.43 -0.04 1.64 1.02 2vj4B1 LEU 268 HD13 -0.10 0.01 -0.12 -0.04 0.93 0.68 2vj4B1 LEU 268 HD23 -0.08 -0.00 -0.25 -0.04 0.89 0.52 2vj4B1 ASP 270 HA 0.00 -0.01 0.31 -0.75 4.63 4.18 2vj4B1 ASP 270 HB2 0.00 -0.01 -0.01 -0.04 2.71 2.66 2vj4B1 ASP 270 HB3 0.01 0.04 0.09 -0.04 2.70 2.80 2vj4B1 GLY 271 H 0.00 0.21 -1.08 -0.55 8.43 7.02 2vj4B1 GLY 271 HA2 -0.02 0.08 0.29 -0.51 4.01 3.85 2vj4B1 GLY 271 HA3 -0.01 0.11 0.58 -0.51 4.01 4.18 2vj4B1 SER 272 H 0.01 0.11 -0.26 -0.55 8.46 7.77 2vj4B1 SER 272 HA -0.00 0.10 0.43 -0.75 4.49 4.26 2vj4B1 SER 272 HB2 0.01 -0.00 0.00 -0.04 3.95 3.92 2vj4B1 SER 272 HB3 0.01 0.02 -0.02 -0.04 3.93 3.89 2vj4B1 LEU 273 H -0.00 0.11 -0.18 -0.55 8.37 7.75 2vj4B1 LEU 273 HA -0.00 0.14 0.87 -0.75 4.35 4.60 2vj4B1 LEU 273 HB2 -0.00 0.24 0.10 -0.04 1.64 1.94 2vj4B1 LEU 273 HB3 0.00 -0.04 -0.08 -0.04 1.64 1.48 2vj4B1 LEU 273 HG 0.02 -0.04 -0.27 -0.04 1.64 1.31 2vj4B1 LEU 273 HD13 0.02 0.03 -0.01 -0.04 0.93 0.92 2vj4B1 LEU 273 HD23 0.03 0.01 0.04 -0.04 0.89 0.92 2vj4B1 SER 274 H -0.02 0.14 0.08 -0.55 8.46 8.12 2vj4B1 SER 274 HA -0.09 0.22 0.73 -0.75 4.49 4.59 2vj4B1 SER 274 HB2 -0.06 0.17 0.05 -0.04 3.95 4.06 2vj4B1 SER 274 HB3 -0.04 0.01 0.15 -0.04 3.93 4.02 2vj4B1 ALA 275 H -0.21 0.26 0.17 -0.55 8.40 8.07 2vj4B1 ALA 275 HA -0.10 0.13 0.32 -0.75 4.34 3.94 2vj4B1 ALA 275 HB3 -0.33 0.04 0.08 -0.04 1.41 1.16 2vj4B1 GLU 276 H -0.45 0.08 -0.16 -0.55 8.60 7.52 2vj4B1 GLU 276 HA 0.11 0.14 0.44 -0.75 4.29 4.22 2vj4B1 GLU 276 HB2 -0.19 0.01 0.10 -0.04 2.09 1.97 2vj4B1 GLU 276 HB3 -0.15 -0.04 0.09 -0.04 1.99 1.85 2vj4B1 GLU 276 HG2 0.04 0.01 -0.29 -0.04 2.34 2.05 2vj4B1 GLU 276 HG3 0.14 0.01 -0.04 -0.04 2.34 2.41 2vj4B1 GLN 277 H -0.04 0.08 -0.17 -0.55 8.47 7.80 2vj4B1 GLN 277 HA 0.05 0.07 0.43 -0.75 4.36 4.15 2vj4B1 GLN 277 HB2 0.02 0.03 0.11 -0.04 2.15 2.27 2vj4B1 GLN 277 HB3 0.05 0.03 0.03 -0.04 2.02 2.09 2vj4B1 GLN 277 HG2 0.03 0.03 0.01 -0.04 2.40 2.43 2vj4B1 GLN 277 HG3 -0.00 -0.07 0.05 -0.04 2.39 2.33 2vj4B1 GLN 277 HE21 0.02 0.02 0.01 -0.04 6.97 6.98 2vj4B1 GLN 277 HE22 0.04 -0.00 0.00 -0.04 7.69 7.69 2vj4B1 LEU 278 H 0.05 0.51 -0.27 -0.55 8.37 8.12 2vj4B1 LEU 278 HA 0.21 0.02 0.39 -0.75 4.35 4.21 2vj4B1 LEU 278 HB2 0.07 0.12 0.03 -0.04 1.64 1.82 2vj4B1 LEU 278 HB3 0.24 0.06 -0.11 -0.04 1.64 1.79 2vj4B1 LEU 278 HG 0.27 -0.00 -0.05 -0.04 1.64 1.82 2vj4B1 LEU 278 HD13 0.12 -0.02 -0.08 -0.04 0.93 0.91 2vj4B1 LEU 278 HD23 -0.02 0.01 -0.21 -0.04 0.89 0.62 2vj4B1 LEU 279 H 0.20 0.49 -0.18 -0.55 8.37 8.33 2vj4B1 LEU 279 HA 0.30 0.05 0.35 -0.75 4.35 4.30 2vj4B1 LEU 279 HB2 0.35 0.19 0.19 -0.04 1.64 2.33 2vj4B1 LEU 279 HB3 0.22 0.05 0.09 -0.04 1.64 1.96 2vj4B1 LEU 279 HG 0.36 0.04 0.00 -0.04 1.64 1.99 2vj4B1 LEU 279 HD13 0.31 -0.01 -0.05 -0.04 0.93 1.13 2vj4B1 LEU 279 HD23 0.21 -0.01 -0.06 -0.04 0.89 0.98 2vj4B1 LEU 280 H 0.04 0.52 -0.16 -0.55 8.37 8.22 2vj4B1 LEU 280 HA -0.27 0.01 0.39 -0.75 4.35 3.73 2vj4B1 LEU 280 HB2 -0.03 0.14 0.17 -0.04 1.64 1.88 2vj4B1 LEU 280 HB3 -0.34 -0.05 -0.04 -0.04 1.64 1.18 2vj4B1 LEU 280 HG 0.02 0.05 0.03 -0.04 1.64 1.70 2vj4B1 LEU 280 HD13 0.07 -0.02 -0.07 -0.04 0.93 0.88 2vj4B1 LEU 280 HD23 -0.03 -0.01 -0.00 -0.04 0.89 0.81 2vj4B1 THR 281 H -0.01 0.51 -0.24 -0.55 8.28 8.00 2vj4B1 THR 281 HA 0.12 -0.03 0.40 -0.75 4.39 4.12 2vj4B1 THR 281 HB 0.17 0.24 0.18 -0.04 4.32 4.88 2vj4B1 THR 281 HG23 0.02 -0.03 -0.19 -0.04 1.22 0.98 2vj4B1 LEU 282 H -0.14 0.47 -0.29 -0.55 8.37 7.86 2vj4B1 LEU 282 HA -0.28 0.00 0.45 -0.75 4.35 3.77 2vj4B1 LEU 282 HB2 -1.01 0.01 0.05 -0.04 1.64 0.64 2vj4B1 LEU 282 HB3 -0.56 0.18 0.12 -0.04 1.64 1.34 2vj4B1 LEU 282 HG -1.16 -0.06 -0.15 -0.04 1.64 0.23 2vj4B1 LEU 282 HD13 -0.57 -0.01 -0.03 -0.04 0.93 0.28 2vj4B1 LEU 282 HD23 -0.44 0.01 -0.12 -0.04 0.89 0.29 2vj4B1 LEU 283 H -0.33 0.46 -0.16 -0.55 8.37 7.79 2vj4B1 LEU 283 HA -0.29 0.06 0.49 -0.75 4.35 3.85 2vj4B1 LEU 283 HB2 -0.32 0.10 0.19 -0.04 1.64 1.57 2vj4B1 LEU 283 HB3 -0.08 -0.08 0.01 -0.04 1.64 1.45 2vj4B1 LEU 283 HG -0.04 0.15 -0.02 -0.04 1.64 1.68 2vj4B1 LEU 283 HD13 0.18 -0.02 -0.12 -0.04 0.93 0.92 2vj4B1 LEU 283 HD23 0.10 -0.01 -0.01 -0.04 0.89 0.93 2vj4B1 TYR 284 H -0.32 0.61 -0.16 -0.55 8.29 7.87 2vj4B1 TYR 284 HA 0.05 -0.00 0.41 -0.75 4.56 4.26 2vj4B1 TYR 284 HB2 0.01 0.17 0.09 -0.04 3.06 3.29 2vj4B1 TYR 284 HB3 0.13 -0.08 0.02 -0.04 2.98 3.00 2vj4B1 TYR 284 HD2 0.06 -0.03 -0.07 -0.04 7.15 7.07 2vj4B1 TYR 284 HE2 0.05 -0.03 -0.08 -0.04 6.85 6.75 2vj4B1 ILE 285 H -0.12 0.37 -0.39 -0.55 8.25 7.56 2vj4B1 ILE 285 HA 0.07 0.02 0.20 -0.75 4.18 3.71 2vj4B1 ILE 285 HB -0.27 0.20 0.12 -0.04 1.89 1.90 2vj4B1 ILE 285 HG12 0.01 -0.13 0.02 -0.04 1.49 1.35 2vj4B1 ILE 285 HG13 -0.01 0.07 0.02 -0.04 1.21 1.25 2vj4B1 ILE 285 HG23 0.13 -0.02 -0.11 -0.04 0.93 0.90 2vj4B1 ILE 285 HD13 -0.07 -0.02 -0.07 -0.04 0.88 0.68 2vj4B1 PHE 286 H -0.41 0.36 -0.32 -0.55 8.34 7.43 2vj4B1 PHE 286 HA -0.77 0.01 0.32 -0.75 4.62 3.43 2vj4B1 PHE 286 HB2 -0.25 0.13 0.10 -0.04 3.15 3.09 2vj4B1 PHE 286 HB3 -0.46 0.11 0.01 -0.04 3.06 2.68 2vj4B1 PHE 286 HD2 -0.72 -0.06 -0.05 -0.04 7.28 6.40 2vj4B1 PHE 286 HE2 -0.14 -0.03 -0.08 -0.04 7.38 7.09 2vj4B1 PHE 286 HZ -0.14 -0.01 -0.10 -0.04 7.32 7.04 2vj4B1 GLN 287 H -0.02 0.19 -0.54 -0.55 8.47 7.55 2vj4B1 GLN 287 HA -0.20 0.08 0.71 -0.75 4.36 4.20 2vj4B1 GLN 287 HB2 -0.24 0.06 0.14 -0.04 2.15 2.07 2vj4B1 GLN 287 HB3 -0.76 -0.10 0.02 -0.04 2.02 1.14 2vj4B1 GLN 287 HG2 -0.09 -0.08 -0.03 -0.04 2.40 2.16 2vj4B1 GLN 287 HG3 -0.00 0.33 0.03 -0.04 2.39 2.70 2vj4B1 GLN 287 HE21 0.08 -0.03 -0.12 -0.04 6.97 6.86 2vj4B1 GLN 287 HE22 -0.01 -0.10 -0.07 -0.04 7.69 7.46 2vj4B1 TYR 288 H 0.04 1.08 0.10 -0.55 8.29 8.96 2vj4B1 TYR 288 HA 0.06 0.15 0.93 -0.75 4.56 4.94 2vj4B1 TYR 288 HB2 0.03 0.04 0.13 -0.04 3.06 3.22 2vj4B1 TYR 288 HB3 0.02 -0.15 0.10 -0.04 2.98 2.91 2vj4B1 TYR 288 HD2 0.02 0.01 0.01 -0.04 7.15 7.15 2vj4B1 TYR 288 HE2 0.00 -0.02 -0.03 -0.04 6.85 6.77 2vj4B1 PRO 289 HA 0.15 0.10 0.46 -0.51 4.44 4.64 2vj4B1 PRO 289 HB2 0.09 -0.11 0.03 -0.04 2.28 2.24 2vj4B1 PRO 289 HB3 0.16 0.01 0.15 -0.04 2.02 2.30 2vj4B1 PRO 289 HG2 0.18 -0.06 0.09 -0.04 2.03 2.20 2vj4B1 PRO 289 HG3 0.37 0.24 0.02 -0.04 2.03 2.62 2vj4B1 PRO 289 HD2 0.11 -0.03 0.11 -0.04 3.68 3.84 2vj4B1 PRO 289 HD3 0.07 0.30 -0.80 -0.04 3.65 3.18 2vj4B1 SER 290 H 0.10 0.17 -0.18 -0.55 8.46 8.01 2vj4B1 SER 290 HA 0.03 0.11 0.44 -0.75 4.49 4.32 2vj4B1 SER 290 HB2 0.06 0.02 -0.01 -0.04 3.95 3.98 2vj4B1 SER 290 HB3 0.03 0.01 0.09 -0.04 3.93 4.01 2vj4B1 GLU 291 H 0.09 0.41 -0.41 -0.55 8.60 8.15 2vj4B1 GLU 291 HA 0.01 0.14 0.80 -0.75 4.29 4.49 2vj4B1 GLU 291 HB2 0.06 0.18 0.07 -0.04 2.09 2.35 2vj4B1 GLU 291 HB3 -0.01 -0.09 0.16 -0.04 1.99 2.01 2vj4B1 GLU 291 HG2 -0.04 -0.01 -0.00 -0.04 2.34 2.25 2vj4B1 GLU 291 HG3 0.00 -0.01 -0.23 -0.04 2.34 2.06 2vj4B1 SER 292 H 0.04 0.42 -0.39 -0.55 8.46 7.98 2vj4B1 SER 292 HA 0.02 0.07 0.32 -0.75 4.49 4.15 2vj4B1 SER 292 HB2 -0.01 -0.05 0.06 -0.04 3.95 3.90 2vj4B1 SER 292 HB3 -0.01 -0.02 0.01 -0.04 3.93 3.87 2vj4B1 GLU 293 H -0.02 0.17 -0.23 -0.55 8.60 7.97 2vj4B1 GLU 293 HA -0.00 0.09 0.36 -0.75 4.29 3.98 2vj4B1 GLU 293 HB2 -0.06 0.04 0.05 -0.04 2.09 2.08 2vj4B1 GLU 293 HB3 -0.02 -0.00 0.02 -0.04 1.99 1.94 2vj4B1 GLU 293 HG2 0.01 -0.01 -0.13 -0.04 2.34 2.17 2vj4B1 GLU 293 HG3 -0.03 0.01 0.01 -0.04 2.34 2.29 2vj4B1 GLN 294 H -0.00 0.14 -0.24 -0.55 8.47 7.82 2vj4B1 GLN 294 HA -0.00 0.04 0.46 -0.75 4.36 4.11 2vj4B1 GLN 294 HB2 -0.02 -0.03 0.09 -0.04 2.15 2.16 2vj4B1 GLN 294 HB3 -0.02 0.13 0.15 -0.04 2.02 2.24 2vj4B1 GLN 294 HG2 -0.04 0.00 -0.03 -0.04 2.40 2.29 2vj4B1 GLN 294 HG3 -0.02 0.00 -0.18 -0.04 2.39 2.15 2vj4B1 GLN 294 HE21 -0.01 -0.00 0.02 -0.04 6.97 6.93 2vj4B1 GLN 294 HE22 -0.01 -0.03 0.07 -0.04 7.69 7.68 2vj4B1 ILE 295 H 0.00 0.64 -0.06 -0.55 8.25 8.28 2vj4B1 ILE 295 HA 0.01 -0.01 0.36 -0.75 4.18 3.79 2vj4B1 ILE 295 HB 0.01 0.12 0.10 -0.04 1.89 2.08 2vj4B1 ILE 295 HG12 0.06 -0.06 -0.02 -0.04 1.49 1.42 2vj4B1 ILE 295 HG13 0.02 0.04 0.00 -0.04 1.21 1.23 2vj4B1 ILE 295 HG23 0.09 0.01 -0.08 -0.04 0.93 0.91 2vj4B1 ILE 295 HD13 0.12 -0.03 -0.33 -0.04 0.88 0.60 2vj4B1 LEU 296 H -0.01 0.43 -0.37 -0.55 8.37 7.87 2vj4B1 LEU 296 HA -0.08 0.08 0.57 -0.75 4.35 4.17 2vj4B1 LEU 296 HB2 0.06 0.15 0.09 -0.04 1.64 1.90 2vj4B1 LEU 296 HB3 -0.05 -0.11 0.04 -0.04 1.64 1.48 2vj4B1 LEU 296 HG -0.26 -0.04 -0.04 -0.04 1.64 1.26 2vj4B1 LEU 296 HD13 -0.82 -0.01 -0.08 -0.04 0.93 -0.02 2vj4B1 LEU 296 HD23 -0.20 -0.01 -0.05 -0.04 0.89 0.59 2vj4B1 THR 297 H 0.00 0.47 -0.34 -0.55 8.28 7.87 2vj4B1 THR 297 HA 0.01 0.01 0.39 -0.75 4.39 4.04 2vj4B1 THR 297 HB 0.00 -0.06 0.03 -0.04 4.32 4.25 2vj4B1 THR 297 HG23 0.02 0.05 0.12 -0.04 1.22 1.36 2vj4B1 SER 298 H 0.00 0.27 -0.16 -0.55 8.46 8.03 2vj4B1 SER 298 HA 0.00 0.07 0.48 -0.75 4.49 4.28 2vj4B1 SER 298 HB2 0.01 0.01 0.09 -0.04 3.95 4.02 2vj4B1 SER 298 HB3 0.01 0.01 0.08 -0.04 3.93 3.99 2vj4B1 VAL 299 H -0.01 0.32 -0.35 -0.55 8.24 7.66 2vj4B1 VAL 299 HA 0.02 0.08 0.56 -0.75 4.13 4.03 2vj4B1 VAL 299 HB -0.05 0.16 0.16 -0.04 2.12 2.34 2vj4B1 VAL 299 HG13 0.07 -0.01 -0.06 -0.04 0.97 0.93 2vj4B1 VAL 299 HG23 0.04 -0.00 0.02 -0.04 0.95 0.96 2vj4B1 ILE 300 H -0.05 0.53 0.00 -0.55 8.25 8.18 2vj4B1 ILE 300 HA -0.08 -0.01 0.38 -0.75 4.18 3.71 2vj4B1 ILE 300 HB -0.03 0.17 0.16 -0.04 1.89 2.15 2vj4B1 ILE 300 HG12 -0.14 0.25 0.05 -0.04 1.49 1.61 2vj4B1 ILE 300 HG13 -0.08 -0.01 -0.05 -0.04 1.21 1.02 2vj4B1 ILE 300 HG23 -0.05 -0.01 -0.05 -0.04 0.93 0.77 2vj4B1 ILE 300 HD13 -0.55 -0.03 -0.02 -0.04 0.88 0.24 2vj4B1 GLU 301 H -0.01 0.44 -0.12 -0.55 8.60 8.36 2vj4B1 GLU 301 HA -0.00 0.03 0.37 -0.75 4.29 3.93 2vj4B1 GLU 301 HB2 -0.00 0.05 0.08 -0.04 2.09 2.18 2vj4B1 GLU 301 HB3 0.00 -0.02 0.05 -0.04 1.99 1.98 2vj4B1 GLU 301 HG2 -0.00 0.16 0.08 -0.04 2.34 2.54 2vj4B1 GLU 301 HG3 0.00 -0.04 0.00 -0.04 2.34 2.26 2vj4B1 VAL 302 H 0.00 0.27 -0.54 -0.55 8.24 7.43 2vj4B1 VAL 302 HA 0.01 0.13 0.78 -0.75 4.13 4.30 2vj4B1 VAL 302 HB 0.01 0.08 0.09 -0.04 2.12 2.26 2vj4B1 VAL 302 HG13 0.01 0.02 -0.11 -0.04 0.97 0.86 2vj4B1 VAL 302 HG23 0.01 0.02 -0.00 -0.04 0.95 0.93 2vj4B1 SER 303 H 0.01 0.62 0.12 -0.55 8.46 8.66 2vj4B1 SER 303 HA 0.09 0.05 0.45 -0.75 4.49 4.33 2vj4B1 SER 303 HB2 0.06 -0.06 0.01 -0.04 3.95 3.92 2vj4B1 SER 303 HB3 0.01 0.03 0.05 -0.04 3.93 3.99 2vj4B1 ARG 304 H 0.01 0.54 -0.16 -0.55 8.46 8.29 2vj4B1 ARG 304 HA 0.02 0.20 0.36 -0.75 4.34 4.17 2vj4B1 ARG 304 HB2 0.00 0.14 0.04 -0.04 1.90 2.04 2vj4B1 ARG 304 HB3 0.00 -0.04 -0.04 -0.04 1.80 1.69 2vj4B1 ARG 304 HG2 0.00 -0.06 0.07 -0.04 1.67 1.64 2vj4B1 ARG 304 HG3 -0.01 -0.03 0.08 -0.04 1.67 1.66 2vj4B1 ARG 304 HD2 -0.01 0.06 -0.14 -0.04 3.22 3.09 2vj4B1 ARG 304 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.15 2vj4B1 ALA 305 H 0.01 0.31 -0.62 -0.55 8.40 7.55 2vj4B1 ALA 305 HA -0.01 0.02 0.41 -0.75 4.34 4.00 2vj4B1 ALA 305 HB3 -0.01 0.01 0.07 -0.04 1.41 1.44 2vj4B1 SER 306 H -0.03 0.38 -0.09 -0.55 8.46 8.18 2vj4B1 SER 306 HA -0.12 0.13 0.72 -0.75 4.49 4.47 2vj4B1 SER 306 HB2 -0.27 -0.03 0.14 -0.04 3.95 3.74 2vj4B1 SER 306 HB3 -0.11 0.00 -0.15 -0.04 3.93 3.63 2vj4B1 HIS 307 H 0.00 0.52 0.17 -0.55 8.41 8.57 2vj4B1 HIS 307 HA 0.01 0.13 0.98 -0.75 4.63 4.99 2vj4B1 HIS 307 HB2 -0.01 0.02 0.02 -0.04 3.26 3.24 2vj4B1 HIS 307 HB3 -0.01 -0.06 -0.11 -0.04 3.20 2.98 2vj4B1 HIS 307 HD2 0.01 -0.08 0.06 -0.04 6.97 6.91 2vj4B1 HIS 307 HE1 -0.01 0.10 -0.06 -0.04 7.75 7.74 2vj4B1 GLU 308 H 0.11 0.15 0.11 -0.55 8.60 8.43 2vj4B1 GLU 308 HA 0.04 0.13 0.45 -0.75 4.29 4.16 2vj4B1 GLU 308 HB2 0.08 0.08 0.14 -0.04 2.09 2.34 2vj4B1 GLU 308 HB3 0.09 -0.15 0.03 -0.04 1.99 1.93 2vj4B1 GLU 308 HG2 0.09 0.04 -0.02 -0.04 2.34 2.41 2vj4B1 GLU 308 HG3 0.07 -0.04 0.05 -0.04 2.34 2.38 2vj4B1 ASP 309 H 0.02 0.23 0.17 -0.55 8.40 8.27 2vj4B1 ASP 309 HA -0.12 0.07 0.32 -0.75 4.63 4.15 2vj4B1 ASP 309 HB2 0.03 0.05 0.14 -0.04 2.71 2.89 2vj4B1 ASP 309 HB3 0.05 0.02 -0.07 -0.04 2.70 2.66 2vj4B1 SER 310 H 0.02 0.14 -0.32 -0.55 8.46 7.75 2vj4B1 SER 310 HA -0.01 0.06 0.43 -0.75 4.49 4.21 2vj4B1 SER 310 HB2 -0.68 0.02 0.01 -0.04 3.95 3.26 2vj4B1 SER 310 HB3 -0.39 0.07 0.01 -0.04 3.93 3.57 2vj4B1 VAL 311 H 0.04 0.43 -0.26 -0.55 8.24 7.90 2vj4B1 VAL 311 HA 0.07 0.06 0.46 -0.75 4.13 3.97 2vj4B1 VAL 311 HB 0.03 0.13 0.09 -0.04 2.12 2.33 2vj4B1 VAL 311 HG13 -0.03 0.02 -0.09 -0.04 0.97 0.83 2vj4B1 VAL 311 HG23 0.11 -0.01 0.04 -0.04 0.95 1.05 2vj4B1 VAL 312 H -0.05 0.28 -0.16 -0.55 8.24 7.76 2vj4B1 VAL 312 HA 0.04 0.09 0.43 -0.75 4.13 3.93 2vj4B1 VAL 312 HB -0.03 0.02 0.01 -0.04 2.12 2.08 2vj4B1 VAL 312 HG13 -0.17 0.08 -0.01 -0.04 0.97 0.84 2vj4B1 VAL 312 HG23 -0.08 -0.01 -0.19 -0.04 0.95 0.63 2vj4B1 TYR 313 H -0.02 0.41 -0.18 -0.55 8.29 7.95 2vj4B1 TYR 313 HA 0.09 0.05 0.47 -0.75 4.56 4.41 2vj4B1 TYR 313 HB2 -0.06 0.04 0.09 -0.04 3.06 3.09 2vj4B1 TYR 313 HB3 -0.03 0.01 -0.00 -0.04 2.98 2.92 2vj4B1 TYR 313 HD2 -0.07 -0.00 -0.15 -0.04 7.15 6.88 2vj4B1 TYR 313 HE2 -0.07 0.00 -0.07 -0.04 6.85 6.68 2vj4B1 GLN 314 H 0.12 0.55 -0.22 -0.55 8.47 8.38 2vj4B1 GLN 314 HA 0.11 -0.01 0.46 -0.75 4.36 4.17 2vj4B1 GLN 314 HB2 0.10 0.25 0.25 -0.04 2.15 2.70 2vj4B1 GLN 314 HB3 0.10 -0.02 -0.03 -0.04 2.02 2.03 2vj4B1 GLN 314 HG2 0.07 -0.00 0.06 -0.04 2.40 2.48 2vj4B1 GLN 314 HG3 0.21 -0.02 0.01 -0.04 2.39 2.54 2vj4B1 GLN 314 HE21 0.09 -0.02 0.01 -0.04 6.97 7.01 2vj4B1 GLN 314 HE22 0.10 0.05 -0.01 -0.04 7.69 7.79 2vj4B1 THR 315 H 0.12 0.47 -0.21 -0.55 8.28 8.11 2vj4B1 THR 315 HA 0.05 0.02 0.35 -0.75 4.39 4.06 2vj4B1 THR 315 HB 0.08 0.14 0.15 -0.04 4.32 4.65 2vj4B1 THR 315 HG23 -0.11 -0.00 -0.03 -0.04 1.22 1.03 2vj4B1 TYR 316 H 0.36 0.29 -0.41 -0.55 8.29 7.98 2vj4B1 TYR 316 HA 0.14 0.09 0.52 -0.75 4.56 4.55 2vj4B1 TYR 316 HB2 0.14 0.09 0.16 -0.04 3.06 3.41 2vj4B1 TYR 316 HB3 0.06 -0.05 -0.02 -0.04 2.98 2.93 2vj4B1 TYR 316 HD2 -0.01 0.28 0.04 -0.04 7.15 7.43 2vj4B1 TYR 316 HE2 -0.04 -0.04 -0.10 -0.04 6.85 6.63 2vj4B1 LEU 317 H 0.20 0.57 -0.00 -0.55 8.37 8.60 2vj4B1 LEU 317 HA 0.11 0.00 0.40 -0.75 4.35 4.11 2vj4B1 LEU 317 HB2 0.08 0.03 0.05 -0.04 1.64 1.77 2vj4B1 LEU 317 HB3 0.10 0.05 0.21 -0.04 1.64 1.96 2vj4B1 LEU 317 HG 0.06 0.00 -0.21 -0.04 1.64 1.45 2vj4B1 LEU 317 HD13 0.03 -0.02 0.03 -0.04 0.93 0.93 2vj4B1 LEU 317 HD23 0.04 -0.01 -0.08 -0.04 0.89 0.80 2vj4B1 SER 318 H 0.10 0.72 -0.03 -0.55 8.46 8.72 2vj4B1 SER 318 HA 0.07 -0.01 0.43 -0.75 4.49 4.23 2vj4B1 SER 318 HB2 0.06 -0.05 0.05 -0.04 3.95 3.97 2vj4B1 SER 318 HB3 0.07 -0.03 0.07 -0.04 3.93 4.00 2vj4B1 SER 319 H 0.11 0.31 -0.45 -0.55 8.46 7.88 2vj4B1 SER 319 HA 0.11 0.05 0.37 -0.75 4.49 4.27 2vj4B1 SER 319 HB2 0.11 0.09 0.19 -0.04 3.95 4.30 2vj4B1 SER 319 HB3 0.14 -0.07 -0.03 -0.04 3.93 3.93 2vj4B1 VAL 320 H 0.13 0.45 -0.19 -0.55 8.24 8.08 2vj4B1 VAL 320 HA 0.26 0.05 0.45 -0.75 4.13 4.14 2vj4B1 VAL 320 HB 0.14 0.09 0.17 -0.04 2.12 2.48 2vj4B1 VAL 320 HG13 0.21 -0.03 -0.11 -0.04 0.97 1.00 2vj4B1 VAL 320 HG23 0.28 0.02 0.00 -0.04 0.95 1.21 2vj4B1 ASN 321 H 0.08 0.57 -0.05 -0.55 8.53 8.59 2vj4B1 ASN 321 HA -0.00 -0.05 0.31 -0.75 4.76 4.26 2vj4B1 ASN 321 HB2 0.06 0.04 0.18 -0.04 2.88 3.12 2vj4B1 ASN 321 HB3 0.04 -0.05 -0.08 -0.04 2.79 2.67 2vj4B1 ASN 321 HD21 0.03 -0.08 -0.08 -0.04 7.03 6.86 2vj4B1 ASN 321 HD22 0.05 -0.03 -0.13 -0.04 7.74 7.59 2vj4B1 GLU 322 H 0.07 0.45 -0.30 -0.55 8.60 8.28 2vj4B1 GLU 322 HA 0.08 0.13 0.83 -0.75 4.29 4.58 2vj4B1 GLU 322 HB2 0.06 -0.08 0.16 -0.04 2.09 2.19 2vj4B1 GLU 322 HB3 0.06 -0.09 0.02 -0.04 1.99 1.93 2vj4B1 GLU 322 HG2 0.07 0.41 0.11 -0.04 2.34 2.89 2vj4B1 GLU 322 HG3 0.07 -0.04 -0.05 -0.04 2.34 2.28 2vj4B1 SER 323 H 0.09 0.46 -0.42 -0.55 8.46 8.04 2vj4B1 SER 323 HA 0.06 0.10 0.83 -0.75 4.49 4.73 2vj4B1 SER 323 HB2 0.12 0.06 0.12 -0.04 3.95 4.21 2vj4B1 SER 323 HB3 0.02 -0.07 0.06 -0.04 3.93 3.89 2vj4B1 PRO 324 HA 0.11 -0.04 0.40 -0.51 4.44 4.40 2vj4B1 PRO 324 HB2 -0.04 -0.00 0.05 -0.04 2.28 2.25 2vj4B1 PRO 324 HB3 0.00 -0.01 0.10 -0.04 2.02 2.07 2vj4B1 PRO 324 HG2 -0.03 0.10 0.16 -0.04 2.03 2.22 2vj4B1 PRO 324 HG3 0.00 0.03 0.12 -0.04 2.03 2.14 2vj4B1 PRO 324 HD2 -0.01 0.11 0.19 -0.04 3.68 3.93 2vj4B1 PRO 324 HD3 0.03 0.19 0.18 -0.04 3.65 4.01 2vj4B1 HIS 325 H 0.28 0.09 0.19 -0.55 8.41 8.43 2vj4B1 HIS 325 HA 0.08 0.20 0.43 -0.75 4.63 4.59 2vj4B1 HIS 325 HB2 0.01 -0.05 0.09 -0.04 3.26 3.27 2vj4B1 HIS 325 HB3 0.01 -0.05 0.01 -0.04 3.20 3.13 2vj4B1 HIS 325 HD2 0.02 0.09 0.07 -0.04 6.97 7.10 2vj4B1 HIS 325 HE1 -0.01 -0.05 0.02 -0.04 7.75 7.67 2vj4B1 ASP 326 H 0.07 0.05 -0.19 -0.55 8.40 7.78 2vj4B1 ASP 326 HA 0.05 0.13 0.40 -0.75 4.63 4.46 2vj4B1 ASP 326 HB2 -0.01 0.06 -0.01 -0.04 2.71 2.71 2vj4B1 ASP 326 HB3 0.01 0.03 0.14 -0.04 2.70 2.84 2vj4B1 ILE 327 H -0.06 0.27 -0.74 -0.55 8.25 7.17 2vj4B1 ILE 327 HA -0.25 0.05 0.48 -0.75 4.18 3.70 2vj4B1 ILE 327 HB -0.71 0.10 -0.03 -0.04 1.89 1.21 2vj4B1 ILE 327 HG12 -0.28 -0.02 -0.19 -0.04 1.49 0.96 2vj4B1 ILE 327 HG13 -0.19 -0.07 -0.14 -0.04 1.21 0.77 2vj4B1 ILE 327 HG23 -1.18 -0.03 -0.02 -0.04 0.93 -0.33 2vj4B1 ILE 327 HD13 -0.32 0.03 -0.09 -0.04 0.88 0.47 2vj4B1 PHE 328 H 0.14 0.30 -0.25 -0.55 8.34 7.97 2vj4B1 PHE 328 HA -0.04 0.26 0.64 -0.75 4.62 4.73 2vj4B1 PHE 328 HB2 -0.04 0.09 -0.03 -0.04 3.15 3.13 2vj4B1 PHE 328 HB3 -0.01 -0.04 0.06 -0.04 3.06 3.03 2vj4B1 PHE 328 HD2 -0.03 0.07 -0.03 -0.04 7.28 7.25 2vj4B1 PHE 328 HE2 0.09 0.06 -0.06 -0.04 7.38 7.43 2vj4B1 PHE 328 HZ 0.26 -0.04 -0.08 -0.04 7.32 7.42 2vj4B1 SER 330 HA 0.04 0.09 0.38 -0.75 4.49 4.26 2vj4B1 SER 330 HB2 0.02 -0.20 0.19 -0.04 3.95 3.91 2vj4B1 SER 330 HB3 0.02 0.12 0.17 -0.04 3.93 4.20 2vj4B1 GLU 331 H 0.02 0.15 0.14 -0.55 8.60 8.37 2vj4B1 GLU 331 HA -0.04 0.19 0.49 -0.75 4.29 4.17 2vj4B1 GLU 331 HB2 0.01 -0.03 0.12 -0.04 2.09 2.14 2vj4B1 GLU 331 HB3 -0.00 0.02 0.05 -0.04 1.99 2.02 2vj4B1 GLU 331 HG2 0.05 0.01 0.04 -0.04 2.34 2.40 2vj4B1 GLU 331 HG3 0.04 0.01 0.04 -0.04 2.34 2.40 2vj4B1 SER 332 H -0.01 0.10 -0.11 -0.55 8.46 7.90 2vj4B1 SER 332 HA -0.03 0.09 0.45 -0.75 4.49 4.25 2vj4B1 SER 332 HB2 -0.01 0.03 0.10 -0.04 3.95 4.03 2vj4B1 SER 332 HB3 -0.00 0.00 0.11 -0.04 3.93 4.01 2vj4B1 GLU 333 H -0.01 0.22 -0.21 -0.55 8.60 8.05 2vj4B1 GLU 333 HA -0.00 0.02 0.50 -0.75 4.29 4.05 2vj4B1 GLU 333 HB2 0.09 0.24 0.17 -0.04 2.09 2.55 2vj4B1 GLU 333 HB3 0.13 0.06 0.12 -0.04 1.99 2.27 2vj4B1 GLU 333 HG2 0.03 -0.09 0.06 -0.04 2.34 2.30 2vj4B1 GLU 333 HG3 0.06 0.10 0.09 -0.04 2.34 2.55 2vj4B1 ARG 334 H -0.17 0.21 -0.48 -0.55 8.46 7.46 2vj4B1 ARG 334 HA -1.26 0.12 0.57 -0.75 4.34 3.02 2vj4B1 ARG 334 HB2 -0.41 0.18 0.11 -0.04 1.90 1.74 2vj4B1 ARG 334 HB3 -0.29 0.03 0.15 -0.04 1.80 1.64 2vj4B1 ARG 334 HG2 -0.49 -0.08 -0.06 -0.04 1.67 0.99 2vj4B1 ARG 334 HG3 -1.17 0.04 0.05 -0.04 1.67 0.55 2vj4B1 ARG 334 HD2 -0.18 0.10 0.07 -0.04 3.22 3.17 2vj4B1 ARG 334 HD3 -0.36 -0.10 0.02 -0.04 3.22 2.75 2vj4B1 GLU 335 H -0.16 0.48 -0.07 -0.55 8.60 8.31 2vj4B1 GLU 335 HA -0.13 0.06 0.52 -0.75 4.29 3.98 2vj4B1 GLU 335 HB2 -0.06 0.09 0.17 -0.04 2.09 2.25 2vj4B1 GLU 335 HB3 -0.06 -0.06 0.06 -0.04 1.99 1.89 2vj4B1 GLU 335 HG2 -0.08 0.27 0.10 -0.04 2.34 2.59 2vj4B1 GLU 335 HG3 -0.04 -0.06 0.02 -0.04 2.34 2.21 2vj4B1 ILE 336 H -0.09 0.33 -0.32 -0.55 8.25 7.62 2vj4B1 ILE 336 HA -0.04 0.02 0.40 -0.75 4.18 3.81 2vj4B1 ILE 336 HB -0.02 0.15 0.11 -0.04 1.89 2.09 2vj4B1 ILE 336 HG12 -0.01 -0.05 0.03 -0.04 1.49 1.41 2vj4B1 ILE 336 HG13 -0.03 0.27 0.11 -0.04 1.21 1.52 2vj4B1 ILE 336 HG23 0.01 -0.01 -0.23 -0.04 0.93 0.66 2vj4B1 ILE 336 HD13 0.01 -0.03 -0.02 -0.04 0.88 0.80 2vj4B1 ALA 337 H -0.11 0.38 -0.25 -0.55 8.40 7.86 2vj4B1 ALA 337 HA 0.02 0.09 0.46 -0.75 4.34 4.16 2vj4B1 ALA 337 HB3 0.03 0.06 0.12 -0.04 1.41 1.58 2vj4B1 ILE 338 H -0.13 0.55 -0.14 -0.55 8.25 7.97 2vj4B1 ILE 338 HA -0.02 0.04 0.40 -0.75 4.18 3.84 2vj4B1 ILE 338 HB -0.10 0.03 0.17 -0.04 1.89 1.95 2vj4B1 ILE 338 HG12 -0.04 -0.02 0.01 -0.04 1.49 1.39 2vj4B1 ILE 338 HG13 -0.16 0.11 0.08 -0.04 1.21 1.20 2vj4B1 ILE 338 HG23 -0.03 -0.02 -0.11 -0.04 0.93 0.73 2vj4B1 ILE 338 HD13 -0.15 -0.00 -0.07 -0.04 0.88 0.62 2vj4B1 ASN 339 H -0.05 0.67 -0.16 -0.55 8.53 8.44 2vj4B1 ASN 339 HA -0.03 0.01 0.48 -0.75 4.76 4.46 2vj4B1 ASN 339 HB2 -0.03 0.13 0.15 -0.04 2.88 3.09 2vj4B1 ASN 339 HB3 -0.03 -0.07 0.04 -0.04 2.79 2.69 2vj4B1 ASN 339 HD21 -0.03 -0.06 -0.00 -0.04 7.03 6.90 2vj4B1 ASN 339 HD22 -0.03 -0.03 -0.04 -0.04 7.74 7.61 2vj4B1 ILE 340 H -0.04 0.52 -0.22 -0.55 8.25 7.96 2vj4B1 ILE 340 HA -0.06 0.02 0.54 -0.75 4.18 3.93 2vj4B1 ILE 340 HB -0.03 0.20 0.24 -0.04 1.89 2.26 2vj4B1 ILE 340 HG12 -0.03 -0.08 0.07 -0.04 1.49 1.40 2vj4B1 ILE 340 HG13 -0.02 0.10 0.10 -0.04 1.21 1.35 2vj4B1 ILE 340 HG23 -0.06 -0.04 -0.09 -0.04 0.93 0.70 2vj4B1 ILE 340 HD13 -0.00 0.00 0.02 -0.04 0.88 0.86 2vj4B1 LEU 341 H -0.04 0.68 -0.02 -0.55 8.37 8.45 2vj4B1 LEU 341 HA -0.16 -0.00 0.41 -0.75 4.35 3.85 2vj4B1 LEU 341 HB2 0.01 0.14 0.13 -0.04 1.64 1.88 2vj4B1 LEU 341 HB3 0.03 -0.03 0.04 -0.04 1.64 1.64 2vj4B1 LEU 341 HG 0.00 0.00 0.04 -0.04 1.64 1.64 2vj4B1 LEU 341 HD13 0.11 0.01 -0.19 -0.04 0.93 0.82 2vj4B1 LEU 341 HD23 0.04 -0.01 -0.01 -0.04 0.89 0.86 2vj4B1 ARG 342 H -0.04 0.43 -0.33 -0.55 8.46 7.97 2vj4B1 ARG 342 HA -0.02 0.04 0.58 -0.75 4.34 4.18 2vj4B1 ARG 342 HB2 -0.01 0.20 0.14 -0.04 1.90 2.18 2vj4B1 ARG 342 HB3 -0.02 0.07 0.11 -0.04 1.80 1.92 2vj4B1 ARG 342 HG2 0.00 -0.01 -0.04 -0.04 1.67 1.58 2vj4B1 ARG 342 HG3 0.01 -0.08 0.04 -0.04 1.67 1.59 2vj4B1 ARG 342 HD2 0.03 -0.03 -0.01 -0.04 3.22 3.17 2vj4B1 ARG 342 HD3 0.03 -0.01 0.01 -0.04 3.22 3.20 2vj4B1 GLU 343 H -0.06 0.50 -0.14 -0.55 8.60 8.35 2vj4B1 GLU 343 HA -0.04 -0.00 0.45 -0.75 4.29 3.94 2vj4B1 GLU 343 HB2 -0.04 -0.06 0.14 -0.04 2.09 2.09 2vj4B1 GLU 343 HB3 -0.06 0.25 0.31 -0.04 1.99 2.45 2vj4B1 GLU 343 HG2 -0.09 0.01 -0.53 -0.04 2.34 1.69 2vj4B1 GLU 343 HG3 -0.05 -0.06 -0.00 -0.04 2.34 2.19 2vj4B1 LEU 344 H -0.19 0.33 -0.42 -0.55 8.37 7.54 2vj4B1 LEU 344 HA -0.26 0.05 0.46 -0.75 4.35 3.84 2vj4B1 LEU 344 HB2 -0.50 0.09 0.16 -0.04 1.64 1.35 2vj4B1 LEU 344 HB3 -1.40 -0.03 -0.08 -0.04 1.64 0.09 2vj4B1 LEU 344 HG -1.01 -0.03 -0.02 -0.04 1.64 0.54 2vj4B1 LEU 344 HD13 -0.21 0.00 -0.04 -0.04 0.93 0.65 2vj4B1 LEU 344 HD23 -0.34 0.01 -0.15 -0.04 0.89 0.37 2vj4B1 VAL 345 H -0.18 0.50 -0.12 -0.55 8.24 7.89 2vj4B1 VAL 345 HA -0.16 -0.04 0.39 -0.75 4.13 3.57 2vj4B1 VAL 345 HB -0.06 0.11 0.24 -0.04 2.12 2.36 2vj4B1 VAL 345 HG13 -0.20 -0.01 -0.15 -0.04 0.97 0.57 2vj4B1 VAL 345 HG23 0.00 0.02 -0.07 -0.04 0.95 0.87 2vj4B1 THR 346 H -0.07 0.62 -0.21 -0.55 8.28 8.08 2vj4B1 THR 346 HA 0.10 -0.00 0.41 -0.75 4.39 4.14 2vj4B1 THR 346 HB -0.01 0.05 0.12 -0.04 4.32 4.44 2vj4B1 THR 346 HG23 0.05 -0.01 -0.10 -0.04 1.22 1.11 2vj4B1 SER 347 H -0.04 0.43 -0.17 -0.55 8.46 8.13 2vj4B1 SER 347 HA 0.01 -0.01 0.33 -0.75 4.49 4.07 2vj4B1 SER 347 HB2 -0.04 0.06 0.12 -0.04 3.95 4.05 2vj4B1 SER 347 HB3 -0.01 -0.06 0.05 -0.04 3.93 3.87 2vj4B1 ALA 348 H -0.05 0.38 -0.44 -0.55 8.40 7.75 2vj4B1 ALA 348 HA 0.04 0.02 0.46 -0.75 4.34 4.11 2vj4B1 ALA 348 HB3 -0.01 -0.03 0.04 -0.04 1.41 1.37 2vj4B1 TYR 349 H -0.07 0.53 -0.06 -0.55 8.29 8.14 2vj4B1 TYR 349 HA 0.04 -0.05 0.19 -0.75 4.56 3.98 2vj4B1 TYR 349 HB2 0.03 0.19 0.19 -0.04 3.06 3.42 2vj4B1 TYR 349 HB3 0.03 -0.09 0.12 -0.04 2.98 3.00 2vj4B1 TYR 349 HD2 0.04 -0.02 -0.05 -0.04 7.15 7.08 2vj4B1 TYR 349 HE2 0.05 -0.04 -0.07 -0.04 6.85 6.74 2vj4B1 GLU 352 HA 0.05 -0.09 0.33 -0.75 4.29 3.83 2vj4B1 GLU 352 HB2 0.14 0.07 -0.73 -0.04 2.09 1.53 2vj4B1 GLU 352 HB3 0.09 -0.09 -0.19 -0.04 1.99 1.76 2vj4B1 GLU 352 HG2 0.07 -0.08 -0.00 -0.04 2.34 2.28 2vj4B1 GLU 352 HG3 0.07 0.11 0.08 -0.04 2.34 2.57 2vj4B1 LEU 353 H 0.07 0.66 0.88 -0.55 8.37 9.43 2vj4B1 LEU 353 HA 0.03 0.08 0.73 -0.75 4.35 4.44 2vj4B1 LEU 353 HB2 0.01 -0.08 0.15 -0.04 1.64 1.69 2vj4B1 LEU 353 HB3 0.02 -0.03 0.14 -0.04 1.64 1.73 2vj4B1 LEU 353 HG 0.05 0.28 0.16 -0.04 1.64 2.09 2vj4B1 LEU 353 HD13 0.02 -0.02 -0.17 -0.04 0.93 0.72 2vj4B1 LEU 353 HD23 -0.01 -0.03 0.05 -0.04 0.89 0.86 2vj4B1 SER 354 H 0.04 0.28 -0.33 -0.55 8.46 7.90 2vj4B1 SER 354 HA 0.02 0.07 0.71 -0.75 4.49 4.54 2vj4B1 SER 354 HB2 0.02 0.00 0.02 -0.04 3.95 3.96 2vj4B1 SER 354 HB3 0.02 -0.03 0.05 -0.04 3.93 3.92 2vj4B1 ARG 355 H 0.02 0.22 -0.04 -0.55 8.46 8.11 2vj4B1 ARG 355 HA 0.02 0.24 -0.35 -0.75 4.34 3.50 2vj4B1 ARG 355 HB2 0.01 -0.01 -0.01 -0.04 1.90 1.85 2vj4B1 ARG 355 HB3 0.01 0.01 0.01 -0.04 1.80 1.79 2vj4B1 ARG 355 HG2 0.01 -0.05 0.00 -0.04 1.67 1.60 2vj4B1 ARG 355 HG3 0.01 0.02 -0.00 -0.04 1.67 1.66 2vj4B1 ARG 355 HD2 0.01 0.02 0.06 -0.04 3.22 3.27 2vj4B1 ARG 355 HD3 0.01 -0.06 0.03 -0.04 3.22 3.15