============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 34.029 -67.692 -67.153 -99.200 -91.000 PHE 29 1.000 31.497 -71.433 -63.094 -99.200 -91.000 HIS 35 0.900 43.497 -71.054 -59.582 -99.200 -91.000 TRP 36 1.040 37.013 -68.557 -54.146 -99.200 -91.000 TRP6 36 1.020 35.664 -66.606 -54.135 -99.200 -91.000 TRP 47 1.040 45.948 -70.229 -55.248 -99.200 -91.000 TRP6 47 1.020 46.527 -72.112 -53.948 -99.200 -91.000 TRP 52 1.040 42.594 -79.018 -61.474 -99.200 -91.000 TRP6 52 1.020 43.850 -79.246 -63.459 -99.200 -91.000 TYR 53 0.840 38.635 -80.313 -65.969 -99.200 -91.000 TYR 59 0.840 45.595 -78.793 -56.805 -99.200 -91.000 TYR 60 0.840 41.086 -76.189 -50.167 -99.200 -91.000 PHE 68 1.000 39.551 -69.692 -45.916 -99.200 -91.000 TYR 80 0.840 28.235 -71.794 -54.316 -99.200 -91.000 TYR 94 0.840 39.010 -63.798 -48.656 -99.200 -91.000 TYR 95 0.840 40.445 -58.710 -55.829 -99.200 -91.000 PHE 99 1.000 45.570 -71.302 -63.512 -99.200 -91.000 TRP 103 1.040 44.991 -73.021 -73.405 -99.200 -91.000 TRP6 103 1.020 44.928 -73.098 -75.754 -99.200 -91.000 TYR 106 0.840 44.881 -66.445 -60.772 -99.200 -91.000 TRP 109 1.040 42.115 -60.843 -62.246 -99.200 -91.000 TRP6 109 1.020 43.048 -61.494 -60.179 -99.200 -91.000 PHE 128 1.000 36.960 -36.184 -30.543 -99.200 -91.000 TYR 145 0.840 36.067 -44.890 -39.143 -99.200 -91.000 PHE 146 1.000 35.652 -53.107 -36.896 -99.200 -91.000 TRP 154 1.040 35.788 -30.871 -45.279 -99.200 -91.000 TRP6 154 1.020 36.051 -29.872 -43.154 -99.200 -91.000 HIS 164 0.900 45.025 -33.150 -50.089 -99.200 -91.000 PHE 166 1.000 45.801 -36.840 -44.737 -99.200 -91.000 TYR 176 0.840 39.390 -49.557 -39.996 -99.200 -91.000 TYR 194 0.840 35.841 -22.820 -44.113 -99.200 -91.000 HIS 200 0.900 30.690 -46.439 -39.149 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2v7nD1 GLN 1 HA 0.03 0.00 0.13 -0.75 4.36 3.77 2v7nD1 GLN 1 HB2 0.01 -0.03 0.06 -0.04 2.15 2.16 2v7nD1 GLN 1 HB3 0.01 -0.09 0.09 -0.04 2.02 1.99 2v7nD1 GLN 1 HG2 0.01 0.01 0.01 -0.04 2.40 2.39 2v7nD1 GLN 1 HG3 0.00 -0.04 0.01 -0.04 2.39 2.33 2v7nD1 GLN 1 HE21 0.02 -0.02 -0.14 -0.04 6.97 6.79 2v7nD1 GLN 1 HE22 0.02 -0.00 -0.06 -0.04 7.69 7.60 2v7nD1 VAL 2 H 0.07 0.07 0.11 -0.55 8.24 7.93 2v7nD1 VAL 2 HA 0.17 0.09 0.69 -0.75 4.13 4.32 2v7nD1 VAL 2 HB 0.24 -0.08 0.04 -0.04 2.12 2.29 2v7nD1 VAL 2 HG13 0.10 0.02 -0.02 -0.04 0.97 1.03 2v7nD1 VAL 2 HG23 0.07 -0.01 -0.09 -0.04 0.95 0.88 2v7nD1 GLN 3 H 0.19 0.42 0.32 -0.55 8.47 8.85 2v7nD1 GLN 3 HA 0.09 0.02 0.37 -0.75 4.36 4.08 2v7nD1 GLN 3 HB2 0.05 0.04 0.14 -0.04 2.15 2.33 2v7nD1 GLN 3 HB3 0.04 0.10 -0.66 -0.04 2.02 1.46 2v7nD1 GLN 3 HG2 -0.00 -0.06 -0.22 -0.04 2.40 2.07 2v7nD1 GLN 3 HG3 0.02 -0.02 -0.34 -0.04 2.39 2.02 2v7nD1 GLN 3 HE21 -0.00 -0.03 -0.07 -0.04 6.97 6.83 2v7nD1 GLN 3 HE22 -0.01 -0.02 -0.12 -0.04 7.69 7.49 2v7nD1 LEU 4 H 0.09 0.30 0.12 -0.55 8.37 8.34 2v7nD1 LEU 4 HA 0.03 0.33 0.82 -0.75 4.35 4.77 2v7nD1 LEU 4 HB2 0.08 0.02 -0.22 -0.04 1.64 1.47 2v7nD1 LEU 4 HB3 0.02 -0.07 -0.15 -0.04 1.64 1.39 2v7nD1 LEU 4 HG 0.19 -0.03 -0.47 -0.04 1.64 1.29 2v7nD1 LEU 4 HD13 -0.04 -0.03 -0.42 -0.04 0.93 0.40 2v7nD1 LEU 4 HD23 0.23 0.03 -0.14 -0.04 0.89 0.96 2v7nD1 VAL 5 H -0.01 0.54 0.18 -0.55 8.24 8.40 2v7nD1 VAL 5 HA 0.05 0.09 1.13 -0.75 4.13 4.65 2v7nD1 VAL 5 HB -0.01 -0.00 0.20 -0.04 2.12 2.26 2v7nD1 VAL 5 HG13 0.02 0.01 -0.11 -0.04 0.97 0.84 2v7nD1 VAL 5 HG23 0.01 0.01 -0.18 -0.04 0.95 0.75 2v7nD1 GLU 6 H 0.09 0.00 0.20 -0.55 8.60 8.34 2v7nD1 GLU 6 HA 0.13 0.38 1.09 -0.75 4.29 5.14 2v7nD1 GLU 6 HB2 0.15 0.01 -0.09 -0.04 2.09 2.12 2v7nD1 GLU 6 HB3 0.25 0.08 0.09 -0.04 1.99 2.38 2v7nD1 GLU 6 HG2 0.43 0.07 -0.02 -0.04 2.34 2.77 2v7nD1 GLU 6 HG3 0.12 0.02 -0.03 -0.04 2.34 2.41 2v7nD1 SER 8 H 0.11 0.70 0.49 -0.55 8.46 9.22 2v7nD1 SER 8 HA 0.04 0.09 0.52 -0.75 4.49 4.38 2v7nD1 SER 8 HB2 0.02 -0.01 0.16 -0.04 3.95 4.08 2v7nD1 SER 8 HB3 0.03 0.11 0.06 -0.04 3.93 4.09 2v7nD1 GLY 9 H 0.00 0.20 0.15 -0.55 8.43 8.24 2v7nD1 GLY 9 HA2 -0.02 0.04 0.43 -0.51 4.01 3.96 2v7nD1 GLY 9 HA3 -0.04 0.22 0.94 -0.51 4.01 4.62 2v7nD1 GLY 10 H -0.02 -0.06 -0.16 -0.55 8.43 7.64 2v7nD1 GLY 10 HA2 -0.09 -0.02 0.07 -0.51 4.01 3.46 2v7nD1 GLY 10 HA3 -0.03 0.00 0.23 -0.51 4.01 3.70 2v7nD1 GLY 11 H -0.03 0.23 0.52 -0.55 8.43 8.60 2v7nD1 GLY 11 HA2 -0.02 -0.03 0.31 -0.51 4.01 3.75 2v7nD1 GLY 11 HA3 -0.03 0.23 0.92 -0.51 4.01 4.62 2v7nD1 LEU 12 H -0.01 0.16 0.21 -0.55 8.37 8.18 2v7nD1 LEU 12 HA 0.03 0.17 0.71 -0.75 4.35 4.51 2v7nD1 LEU 12 HB2 -0.01 -0.04 0.17 -0.04 1.64 1.71 2v7nD1 LEU 12 HB3 0.03 0.01 0.10 -0.04 1.64 1.75 2v7nD1 LEU 12 HG -0.01 -0.07 -0.01 -0.04 1.64 1.50 2v7nD1 LEU 12 HD13 0.10 0.01 -0.05 -0.04 0.93 0.95 2v7nD1 LEU 12 HD23 0.22 0.02 -0.11 -0.04 0.89 0.98 2v7nD1 VAL 13 H 0.05 0.69 0.42 -0.55 8.24 8.86 2v7nD1 VAL 13 HA 0.02 0.09 0.76 -0.75 4.13 4.25 2v7nD1 VAL 13 HB 0.00 -0.02 -0.08 -0.04 2.12 1.98 2v7nD1 VAL 13 HG13 -0.00 0.04 -0.19 -0.04 0.97 0.77 2v7nD1 VAL 13 HG23 -0.03 0.01 -0.30 -0.04 0.95 0.59 2v7nD1 GLN 14 H 0.02 0.10 0.11 -0.55 8.47 8.15 2v7nD1 GLN 14 HA 0.03 0.21 0.52 -0.75 4.36 4.38 2v7nD1 GLN 14 HB2 0.01 -0.06 0.07 -0.04 2.15 2.13 2v7nD1 GLN 14 HB3 0.01 0.08 0.00 -0.04 2.02 2.07 2v7nD1 GLN 14 HG2 0.04 0.10 -0.03 -0.04 2.40 2.47 2v7nD1 GLN 14 HG3 0.02 -0.04 0.03 -0.04 2.39 2.35 2v7nD1 GLN 14 HE21 0.00 -0.00 0.02 -0.04 6.97 6.95 2v7nD1 GLN 14 HE22 0.02 -0.04 -0.01 -0.04 7.69 7.62 2v7nD1 PRO 15 HA 0.02 0.06 0.32 -0.51 4.44 4.33 2v7nD1 PRO 15 HB2 0.00 0.04 0.01 -0.04 2.28 2.29 2v7nD1 PRO 15 HB3 0.01 0.01 0.05 -0.04 2.02 2.04 2v7nD1 PRO 15 HG2 -0.00 -0.00 0.02 -0.04 2.03 2.00 2v7nD1 PRO 15 HG3 0.01 0.01 -0.11 -0.04 2.03 1.91 2v7nD1 PRO 15 HD2 0.01 0.14 -0.01 -0.04 3.68 3.77 2v7nD1 PRO 15 HD3 0.02 0.09 -0.27 -0.04 3.65 3.44 2v7nD1 GLY 16 H 0.01 0.96 0.20 -0.55 8.43 9.06 2v7nD1 GLY 16 HA2 0.01 0.00 0.24 -0.51 4.01 3.75 2v7nD1 GLY 16 HA3 0.00 0.05 0.48 -0.51 4.01 4.03 2v7nD1 GLY 17 H 0.01 0.22 -0.16 -0.55 8.43 7.95 2v7nD1 GLY 17 HA2 -0.01 0.14 0.65 -0.51 4.01 4.28 2v7nD1 GLY 17 HA3 -0.00 0.11 0.27 -0.51 4.01 3.87 2v7nD1 SER 18 H -0.02 0.24 0.23 -0.55 8.46 8.36 2v7nD1 SER 18 HA -0.05 0.37 1.05 -0.75 4.49 5.10 2v7nD1 SER 18 HB2 -0.03 -0.07 0.10 -0.04 3.95 3.91 2v7nD1 SER 18 HB3 -0.03 -0.05 0.07 -0.04 3.93 3.88 2v7nD1 LEU 19 H -0.13 0.75 0.42 -0.55 8.37 8.86 2v7nD1 LEU 19 HA -0.10 0.11 0.74 -0.75 4.35 4.36 2v7nD1 LEU 19 HB2 -0.13 -0.01 -0.46 -0.04 1.64 1.00 2v7nD1 LEU 19 HB3 -0.25 -0.06 -0.14 -0.04 1.64 1.15 2v7nD1 LEU 19 HG -0.16 -0.01 -0.26 -0.04 1.64 1.16 2v7nD1 LEU 19 HD13 -0.07 0.02 0.05 -0.04 0.93 0.89 2v7nD1 LEU 19 HD23 -0.12 -0.01 -0.23 -0.04 0.89 0.48 2v7nD1 ARG 20 H -0.10 0.24 0.13 -0.55 8.46 8.18 2v7nD1 ARG 20 HA -0.16 0.31 1.22 -0.75 4.34 4.96 2v7nD1 ARG 20 HB2 -0.07 -0.04 -0.03 -0.04 1.90 1.71 2v7nD1 ARG 20 HB3 -0.03 -0.00 0.12 -0.04 1.80 1.84 2v7nD1 ARG 20 HG2 0.05 0.10 -0.19 -0.04 1.67 1.59 2v7nD1 ARG 20 HG3 -0.05 -0.03 -0.06 -0.04 1.67 1.48 2v7nD1 ARG 20 HD2 -0.14 -0.03 -0.11 -0.04 3.22 2.90 2v7nD1 ARG 20 HD3 -0.07 -0.01 -0.07 -0.04 3.22 3.03 2v7nD1 LEU 21 H -0.27 0.64 0.31 -0.55 8.37 8.51 2v7nD1 LEU 21 HA -0.09 0.22 1.01 -0.75 4.35 4.74 2v7nD1 LEU 21 HB2 -0.74 -0.09 0.09 -0.04 1.64 0.86 2v7nD1 LEU 21 HB3 -0.30 0.03 0.03 -0.04 1.64 1.35 2v7nD1 LEU 21 HG -0.58 0.04 -0.12 -0.04 1.64 0.94 2v7nD1 LEU 21 HD13 -0.90 -0.01 -0.11 -0.04 0.93 -0.13 2v7nD1 LEU 21 HD23 -0.23 0.01 -0.27 -0.04 0.89 0.35 2v7nD1 SER 22 H 0.10 0.68 0.42 -0.55 8.46 9.12 2v7nD1 SER 22 HA 0.14 0.31 1.10 -0.75 4.49 5.29 2v7nD1 SER 22 HB2 0.01 -0.02 -0.05 -0.04 3.95 3.85 2v7nD1 SER 22 HB3 -0.03 0.02 0.06 -0.04 3.93 3.94 2v7nD1 CYS 23 H -0.09 0.46 0.22 -0.55 8.50 8.54 2v7nD1 CYS 23 HA 0.02 0.26 0.76 -0.75 4.58 4.87 2v7nD1 CYS 23 HB2 -0.12 -0.00 -0.22 -0.04 2.97 2.58 2v7nD1 CYS 23 HB3 -0.14 0.00 0.04 -0.04 2.97 2.83 2v7nD1 ALA 24 H -0.05 0.65 0.27 -0.55 8.40 8.71 2v7nD1 ALA 24 HA -0.23 0.17 0.78 -0.75 4.34 4.30 2v7nD1 ALA 24 HB3 -0.09 0.02 0.12 -0.04 1.41 1.41 2v7nD1 ALA 25 H -0.42 0.64 0.45 -0.55 8.40 8.52 2v7nD1 ALA 25 HA -0.13 0.22 0.89 -0.75 4.34 4.57 2v7nD1 ALA 25 HB3 -0.57 -0.02 0.06 -0.04 1.41 0.83 2v7nD1 SER 26 H -0.14 0.63 0.45 -0.55 8.46 8.85 2v7nD1 SER 26 HA -0.23 0.06 0.62 -0.75 4.49 4.19 2v7nD1 SER 26 HB2 -0.07 -0.04 0.12 -0.04 3.95 3.92 2v7nD1 SER 26 HB3 -0.11 0.09 -0.08 -0.04 3.93 3.80 2v7nD1 GLY 27 H -0.08 0.11 0.14 -0.55 8.43 8.06 2v7nD1 GLY 27 HA2 0.01 -0.03 0.25 -0.51 4.01 3.73 2v7nD1 GLY 27 HA3 0.05 0.49 -0.01 -0.51 4.01 4.04 2v7nD1 PHE 29 H -0.25 0.12 -0.49 -0.55 8.34 7.18 2v7nD1 PHE 29 HA -0.00 0.19 0.57 -0.75 4.62 4.63 2v7nD1 PHE 29 HB2 -0.01 -0.06 0.06 -0.04 3.15 3.10 2v7nD1 PHE 29 HB3 0.00 0.09 -0.11 -0.04 3.06 3.00 2v7nD1 PHE 29 HD2 0.02 0.07 -0.32 -0.04 7.28 7.01 2v7nD1 PHE 29 HE2 0.07 0.05 -0.14 -0.04 7.38 7.32 2v7nD1 PHE 29 HZ 0.21 -0.00 -0.14 -0.04 7.32 7.35 2v7nD1 THR 30 H 0.24 0.20 0.03 -0.55 8.28 8.20 2v7nD1 THR 30 HA 0.04 0.11 0.60 -0.75 4.39 4.39 2v7nD1 THR 30 HB 0.06 -0.01 0.14 -0.04 4.32 4.47 2v7nD1 THR 30 HG23 0.02 -0.01 -0.02 -0.04 1.22 1.17 2v7nD1 PHE 31 H 0.07 0.26 0.17 -0.55 8.34 8.28 2v7nD1 PHE 31 HA 0.15 0.09 0.10 -0.75 4.62 4.22 2v7nD1 PHE 31 HB2 -0.34 0.09 0.05 -0.04 3.15 2.91 2v7nD1 PHE 31 HB3 -0.09 -0.01 0.14 -0.04 3.06 3.05 2v7nD1 PHE 31 HD2 -0.04 -0.01 -0.11 -0.04 7.28 7.07 2v7nD1 PHE 31 HE2 0.02 -0.04 -0.27 -0.04 7.38 7.04 2v7nD1 PHE 31 HZ -0.03 -0.02 -0.53 -0.04 7.32 6.70 2v7nD1 ARG 32 H 0.11 0.09 -0.04 -0.55 8.46 8.07 2v7nD1 ARG 32 HA -0.06 0.16 0.29 -0.75 4.34 3.98 2v7nD1 ARG 32 HB2 0.07 0.04 0.12 -0.04 1.90 2.09 2v7nD1 ARG 32 HB3 0.10 -0.02 0.13 -0.04 1.80 1.96 2v7nD1 ARG 32 HG2 0.07 -0.08 0.05 -0.04 1.67 1.66 2v7nD1 ARG 32 HG3 0.04 0.02 -0.14 -0.04 1.67 1.55 2v7nD1 ARG 32 HD2 0.04 -0.00 -0.02 -0.04 3.22 3.19 2v7nD1 ARG 32 HD3 0.06 -0.00 -0.00 -0.04 3.22 3.23 2v7nD1 ASN 33 H 0.04 0.14 -0.68 -0.55 8.53 7.49 2v7nD1 ASN 33 HA -0.03 0.15 0.86 -0.75 4.76 4.99 2v7nD1 ASN 33 HB2 -0.01 -0.01 0.01 -0.04 2.88 2.84 2v7nD1 ASN 33 HB3 -0.08 -0.01 0.10 -0.04 2.79 2.76 2v7nD1 ASN 33 HD21 -0.08 -0.01 -0.01 -0.04 7.03 6.89 2v7nD1 ASN 33 HD22 -0.10 0.00 0.01 -0.04 7.74 7.62 2v7nD1 SER 39 H -0.03 0.61 -0.16 -0.55 8.46 8.34 2v7nD1 SER 39 HA -0.05 0.14 1.13 -0.75 4.49 4.95 2v7nD1 SER 39 HB2 0.09 0.03 0.05 -0.04 3.95 4.08 2v7nD1 SER 39 HB3 -0.13 0.06 -0.02 -0.04 3.93 3.80 2v7nD1 ALA 40 H -0.04 0.16 0.22 -0.55 8.40 8.19 2v7nD1 ALA 40 HA -0.02 0.17 0.66 -0.75 4.34 4.40 2v7nD1 ALA 40 HB3 -0.10 0.00 0.12 -0.04 1.41 1.39 2v7nD1 MET 41 H 0.04 0.56 0.33 -0.55 8.47 8.84 2v7nD1 MET 41 HA -0.04 0.15 1.12 -0.75 4.52 5.00 2v7nD1 MET 41 HB2 -0.04 -0.03 0.02 -0.04 2.15 2.07 2v7nD1 MET 41 HB3 -0.09 -0.01 -0.00 -0.04 2.03 1.89 2v7nD1 MET 41 HG2 -0.18 0.14 -0.56 -0.04 2.63 1.99 2v7nD1 MET 41 HG3 -0.19 -0.05 -0.17 -0.04 2.56 2.11 2v7nD1 MET 41 HE3 0.21 -0.03 -0.22 -0.04 2.10 2.03 2v7nD1 HIS 42 H -0.04 0.75 0.38 -0.55 8.41 8.95 2v7nD1 HIS 42 HA 0.05 0.25 1.23 -0.75 4.63 5.41 2v7nD1 HIS 42 HB2 0.10 -0.03 -0.04 -0.04 3.26 3.25 2v7nD1 HIS 42 HB3 0.27 0.06 0.12 -0.04 3.20 3.61 2v7nD1 HIS 42 HD2 0.01 0.08 -0.64 -0.04 6.97 6.38 2v7nD1 HIS 42 HE1 -1.24 -0.02 -0.11 -0.04 7.75 6.33 2v7nD1 TRP 43 H 0.21 0.61 0.40 -0.55 7.97 8.63 2v7nD1 TRP 43 HA 0.05 0.32 1.02 -0.75 4.62 5.26 2v7nD1 TRP 43 HB2 -0.02 -0.11 0.13 -0.04 3.23 3.19 2v7nD1 TRP 43 HB3 0.11 0.05 -0.07 -0.04 3.23 3.28 2v7nD1 TRP 43 HD1 0.02 -0.03 -0.16 -0.04 7.22 7.00 2v7nD1 TRP 43 HE1 0.05 0.21 -0.41 -0.04 10.20 10.01 2v7nD1 TRP 43 HE3 0.16 0.12 -0.42 -0.04 7.59 7.41 2v7nD1 TRP 43 HZ2 -0.00 0.05 -0.53 -0.04 7.44 6.92 2v7nD1 TRP 43 HZ3 0.09 0.00 -0.35 -0.04 7.13 6.83 2v7nD1 TRP 43 HH2 0.01 0.07 -0.37 -0.04 7.19 6.86 2v7nD1 VAL 44 H 0.33 0.86 0.34 -0.55 8.24 9.22 2v7nD1 VAL 44 HA 0.17 0.12 0.88 -0.75 4.13 4.55 2v7nD1 VAL 44 HB 0.29 0.02 0.01 -0.04 2.12 2.40 2v7nD1 VAL 44 HG13 0.36 0.00 -0.18 -0.04 0.97 1.12 2v7nD1 VAL 44 HG23 -0.13 -0.04 -0.27 -0.04 0.95 0.47 2v7nD1 ARG 45 H 0.09 0.72 0.34 -0.55 8.46 9.05 2v7nD1 ARG 45 HA -0.04 0.31 1.16 -0.75 4.34 5.02 2v7nD1 ARG 45 HB2 -0.77 0.01 -0.14 -0.04 1.90 0.95 2v7nD1 ARG 45 HB3 -0.82 -0.07 -0.19 -0.04 1.80 0.68 2v7nD1 ARG 45 HG2 -0.07 0.04 -0.04 -0.04 1.67 1.56 2v7nD1 ARG 45 HG3 -0.11 -0.01 -0.27 -0.04 1.67 1.24 2v7nD1 ARG 45 HD2 -0.25 0.12 -0.21 -0.04 3.22 2.83 2v7nD1 ARG 45 HD3 -0.14 -0.05 -0.16 -0.04 3.22 2.83 2v7nD1 GLN 46 H -0.11 0.37 0.12 -0.55 8.47 8.31 2v7nD1 GLN 46 HA 0.06 0.33 0.92 -0.75 4.36 4.91 2v7nD1 GLN 46 HB2 0.26 -0.07 -0.21 -0.04 2.15 2.09 2v7nD1 GLN 46 HB3 0.10 -0.11 0.15 -0.04 2.02 2.12 2v7nD1 GLN 46 HG2 0.07 -0.00 -0.17 -0.04 2.40 2.26 2v7nD1 GLN 46 HG3 0.07 0.21 -0.25 -0.04 2.39 2.39 2v7nD1 GLN 46 HE21 0.01 -0.09 -0.04 -0.04 6.97 6.81 2v7nD1 GLN 46 HE22 0.04 0.22 0.06 -0.04 7.69 7.96 2v7nD1 ALA 47 H 0.02 0.14 0.07 -0.55 8.40 8.09 2v7nD1 ALA 47 HA 0.03 0.22 0.66 -0.75 4.34 4.49 2v7nD1 ALA 47 HB3 0.03 0.00 0.11 -0.04 1.41 1.51 2v7nD1 PRO 48 HA 0.06 -0.01 0.45 -0.51 4.44 4.43 2v7nD1 PRO 48 HB2 0.08 0.02 0.07 -0.04 2.28 2.41 2v7nD1 PRO 48 HB3 0.09 0.01 0.07 -0.04 2.02 2.15 2v7nD1 PRO 48 HG2 0.11 0.02 0.04 -0.04 2.03 2.16 2v7nD1 PRO 48 HG3 0.08 0.01 0.03 -0.04 2.03 2.11 2v7nD1 PRO 48 HD2 0.06 0.12 0.17 -0.04 3.68 3.99 2v7nD1 PRO 48 HD3 0.06 0.20 0.07 -0.04 3.65 3.94 2v7nD1 GLY 49 H 0.05 0.11 0.19 -0.55 8.43 8.24 2v7nD1 GLY 49 HA2 0.04 -0.02 0.36 -0.51 4.01 3.88 2v7nD1 GLY 49 HA3 0.05 0.03 0.33 -0.51 4.01 3.90 2v7nD1 LYS 50 H 0.04 0.44 -0.40 -0.55 8.42 7.95 2v7nD1 LYS 50 HA 0.03 0.17 0.91 -0.75 4.32 4.68 2v7nD1 LYS 50 HB2 0.04 0.05 -0.04 -0.04 1.87 1.88 2v7nD1 LYS 50 HB3 0.04 -0.19 0.14 -0.04 1.79 1.74 2v7nD1 LYS 50 HG2 0.04 0.22 -0.26 -0.04 1.46 1.42 2v7nD1 LYS 50 HG3 0.03 -0.07 -0.05 -0.04 1.46 1.33 2v7nD1 LYS 50 HD2 0.03 -0.09 -0.01 -0.04 1.69 1.58 2v7nD1 LYS 50 HD3 0.03 0.22 -0.37 -0.04 1.68 1.52 2v7nD1 LYS 50 HE2 0.03 -0.02 -0.05 -0.04 2.99 2.91 2v7nD1 LYS 50 HE3 0.03 0.08 -0.07 -0.04 2.99 2.99 2v7nD1 GLY 51 H 0.04 0.06 0.10 -0.55 8.43 8.09 2v7nD1 GLY 51 HA2 0.04 0.15 0.62 -0.51 4.01 4.30 2v7nD1 GLY 51 HA3 0.04 -0.00 0.36 -0.51 4.01 3.90 2v7nD1 LEU 52 H 0.06 0.07 0.16 -0.55 8.37 8.11 2v7nD1 LEU 52 HA 0.12 0.24 0.58 -0.75 4.35 4.53 2v7nD1 LEU 52 HB2 0.12 -0.04 0.10 -0.04 1.64 1.78 2v7nD1 LEU 52 HB3 0.19 -0.02 -0.03 -0.04 1.64 1.74 2v7nD1 LEU 52 HG 0.00 -0.04 0.05 -0.04 1.64 1.61 2v7nD1 LEU 52 HD13 -0.06 -0.00 -0.03 -0.04 0.93 0.79 2v7nD1 LEU 52 HD23 -0.02 0.02 -0.14 -0.04 0.89 0.71 2v7nD1 GLU 53 H 0.14 0.64 0.35 -0.55 8.60 9.18 2v7nD1 GLU 53 HA 0.17 0.07 0.80 -0.75 4.29 4.58 2v7nD1 GLU 53 HB2 0.08 0.04 -0.08 -0.04 2.09 2.09 2v7nD1 GLU 53 HB3 0.06 -0.02 0.09 -0.04 1.99 2.08 2v7nD1 GLU 53 HG2 0.12 0.15 -0.11 -0.04 2.34 2.47 2v7nD1 GLU 53 HG3 0.11 -0.03 0.06 -0.04 2.34 2.43 2v7nD1 TRP 54 H 0.38 0.12 0.11 -0.55 7.97 8.04 2v7nD1 TRP 54 HA 0.14 0.07 0.61 -0.75 4.62 4.69 2v7nD1 TRP 54 HB2 0.16 0.01 0.07 -0.04 3.23 3.43 2v7nD1 TRP 54 HB3 0.09 -0.02 0.09 -0.04 3.23 3.35 2v7nD1 TRP 54 HD1 0.25 0.02 -0.04 -0.04 7.22 7.40 2v7nD1 TRP 54 HE1 -0.48 0.05 -0.32 -0.04 10.20 9.40 2v7nD1 TRP 54 HE3 0.05 -0.03 -0.18 -0.04 7.59 7.39 2v7nD1 TRP 54 HZ2 -0.10 -0.02 -0.32 -0.04 7.44 6.96 2v7nD1 TRP 54 HZ3 0.04 0.06 -0.40 -0.04 7.13 6.78 2v7nD1 TRP 54 HH2 0.06 -0.04 -0.42 -0.04 7.19 6.75 2v7nD1 VAL 55 H -0.57 0.55 0.43 -0.55 8.24 8.11 2v7nD1 VAL 55 HA -0.38 0.16 1.07 -0.75 4.13 4.23 2v7nD1 VAL 55 HB 0.06 0.03 -0.05 -0.04 2.12 2.12 2v7nD1 VAL 55 HG13 0.19 -0.01 -0.20 -0.04 0.97 0.91 2v7nD1 VAL 55 HG23 0.04 0.02 -0.22 -0.04 0.95 0.75 2v7nD1 SER 56 H -0.56 0.37 0.40 -0.55 8.46 8.13 2v7nD1 SER 56 HA -0.77 0.18 0.65 -0.75 4.49 3.81 2v7nD1 SER 56 HB2 -0.07 0.04 -0.21 -0.04 3.95 3.67 2v7nD1 SER 56 HB3 0.08 -0.07 -0.05 -0.04 3.93 3.85 2v7nD1 SER 57 H -0.09 0.60 0.37 -0.55 8.46 8.80 2v7nD1 SER 57 HA -0.04 0.25 1.06 -0.75 4.49 5.02 2v7nD1 SER 57 HB2 0.07 -0.02 -0.05 -0.04 3.95 3.91 2v7nD1 SER 57 HB3 -0.60 0.03 -0.02 -0.04 3.93 3.31 2v7nD1 ILE 58 H 0.06 0.59 0.34 -0.55 8.25 8.69 2v7nD1 ILE 58 HA 0.03 0.25 0.87 -0.75 4.18 4.58 2v7nD1 ILE 58 HB 0.05 -0.01 -0.13 -0.04 1.89 1.76 2v7nD1 ILE 58 HG12 0.04 0.07 -0.14 -0.04 1.49 1.42 2v7nD1 ILE 58 HG13 0.04 0.12 -0.17 -0.04 1.21 1.16 2v7nD1 ILE 58 HG23 0.06 0.01 -0.03 -0.04 0.93 0.92 2v7nD1 ILE 58 HD13 0.08 0.00 -0.01 -0.04 0.88 0.91 2v7nD1 TRP 59 H 0.29 0.49 0.17 -0.55 7.97 8.37 2v7nD1 TRP 59 HA -0.02 0.03 0.57 -0.75 4.62 4.45 2v7nD1 TRP 59 HB2 -0.34 0.15 0.05 -0.04 3.23 3.05 2v7nD1 TRP 59 HB3 -0.70 -0.13 0.11 -0.04 3.23 2.46 2v7nD1 TRP 59 HD1 -0.23 0.48 0.17 -0.04 7.22 7.60 2v7nD1 TRP 59 HE1 0.34 -0.01 -0.05 -0.04 10.20 10.43 2v7nD1 TRP 59 HE3 0.33 -0.03 0.03 -0.04 7.59 7.87 2v7nD1 TRP 59 HZ2 0.20 -0.00 -0.03 -0.04 7.44 7.56 2v7nD1 TRP 59 HZ3 0.26 0.01 0.00 -0.04 7.13 7.36 2v7nD1 TRP 59 HH2 0.16 -0.01 -0.01 -0.04 7.19 7.29 2v7nD1 TYR 60 H 0.16 0.11 0.05 -0.55 8.29 8.05 2v7nD1 TYR 60 HA -0.02 0.24 0.20 -0.75 4.56 4.22 2v7nD1 TYR 60 HB2 0.03 0.29 -0.01 -0.04 3.06 3.33 2v7nD1 TYR 60 HB3 0.03 0.00 -0.28 -0.04 2.98 2.69 2v7nD1 TYR 60 HD2 0.16 0.04 -0.07 -0.04 7.15 7.25 2v7nD1 TYR 60 HE2 0.42 0.01 0.00 -0.04 6.85 7.24 2v7nD1 SER 64 H -0.57 0.01 -0.37 -0.55 8.46 6.99 2v7nD1 SER 64 HA 0.11 0.19 0.42 -0.75 4.49 4.45 2v7nD1 SER 64 HB2 0.02 0.02 0.16 -0.04 3.95 4.11 2v7nD1 SER 64 HB3 0.17 0.03 0.04 -0.04 3.93 4.13 2v7nD1 GLY 65 H -0.01 0.53 -0.52 -0.55 8.43 7.88 2v7nD1 GLY 65 HA2 0.04 0.01 0.30 -0.51 4.01 3.86 2v7nD1 GLY 65 HA3 0.04 0.06 0.47 -0.51 4.01 4.07 2v7nD1 SER 66 H -0.05 0.02 -0.98 -0.55 8.46 6.91 2v7nD1 SER 66 HA -0.03 0.13 0.61 -0.75 4.49 4.45 2v7nD1 SER 66 HB2 -0.08 -0.05 0.12 -0.04 3.95 3.90 2v7nD1 SER 66 HB3 -0.05 0.10 0.03 -0.04 3.93 3.96 2v7nD1 ASN 67 H -0.10 0.12 0.12 -0.55 8.53 8.13 2v7nD1 ASN 67 HA -0.18 0.04 0.38 -0.75 4.76 4.25 2v7nD1 ASN 67 HB2 -0.39 -0.00 0.12 -0.04 2.88 2.57 2v7nD1 ASN 67 HB3 -0.47 0.04 0.07 -0.04 2.79 2.39 2v7nD1 ASN 67 HD21 -0.37 0.02 -0.02 -0.04 7.03 6.62 2v7nD1 ASN 67 HD22 -0.44 0.03 -0.01 -0.04 7.74 7.28 2v7nD1 THR 68 H -0.08 0.07 0.11 -0.55 8.28 7.83 2v7nD1 THR 68 HA -0.18 0.41 1.15 -0.75 4.39 5.01 2v7nD1 THR 68 HB -0.19 0.02 0.08 -0.04 4.32 4.19 2v7nD1 THR 68 HG23 0.03 0.01 -0.05 -0.04 1.22 1.17 2v7nD1 TYR 69 H -0.14 0.57 0.43 -0.55 8.29 8.59 2v7nD1 TYR 69 HA 0.15 0.22 1.00 -0.75 4.56 5.17 2v7nD1 TYR 69 HB2 0.37 -0.06 0.01 -0.04 3.06 3.34 2v7nD1 TYR 69 HB3 0.30 0.01 0.11 -0.04 2.98 3.37 2v7nD1 TYR 69 HD2 0.11 0.01 -0.06 -0.04 7.15 7.17 2v7nD1 TYR 69 HE2 0.38 -0.02 -0.08 -0.04 6.85 7.09 2v7nD1 TYR 70 H 0.48 0.24 0.19 -0.55 8.29 8.65 2v7nD1 TYR 70 HA -0.25 0.25 0.92 -0.75 4.56 4.73 2v7nD1 TYR 70 HB2 0.06 -0.05 0.01 -0.04 3.06 3.03 2v7nD1 TYR 70 HB3 -0.06 0.07 0.04 -0.04 2.98 2.98 2v7nD1 TYR 70 HD2 0.07 -0.00 -0.11 -0.04 7.15 7.07 2v7nD1 TYR 70 HE2 0.08 -0.06 -0.19 -0.04 6.85 6.63 2v7nD1 ALA 71 H -0.35 0.56 0.25 -0.55 8.40 8.32 2v7nD1 ALA 71 HA 0.37 0.08 0.70 -0.75 4.34 4.74 2v7nD1 ALA 71 HB3 -0.03 0.04 0.16 -0.04 1.41 1.54 2v7nD1 ASP 72 H 0.14 0.18 0.19 -0.55 8.40 8.36 2v7nD1 ASP 72 HA 0.06 0.10 0.41 -0.75 4.63 4.44 2v7nD1 ASP 72 HB2 0.05 -0.02 0.13 -0.04 2.71 2.83 2v7nD1 ASP 72 HB3 0.03 0.07 0.06 -0.04 2.70 2.82 2v7nD1 SER 73 H 0.02 0.04 -0.20 -0.55 8.46 7.77 2v7nD1 SER 73 HA -0.04 0.09 0.32 -0.75 4.49 4.10 2v7nD1 SER 73 HB2 -0.05 0.06 0.01 -0.04 3.95 3.93 2v7nD1 SER 73 HB3 -0.01 -0.02 0.07 -0.04 3.93 3.94 2v7nD1 VAL 74 H -0.13 0.29 -0.42 -0.55 8.24 7.43 2v7nD1 VAL 74 HA -0.45 0.29 1.01 -0.75 4.13 4.22 2v7nD1 VAL 74 HB -1.66 -0.05 0.07 -0.04 2.12 0.44 2v7nD1 VAL 74 HG13 -0.41 -0.01 -0.19 -0.04 0.97 0.31 2v7nD1 VAL 74 HG23 -0.11 -0.02 -0.03 -0.04 0.95 0.75 2v7nD1 LYS 75 H -0.08 0.30 -0.02 -0.55 8.42 8.06 2v7nD1 LYS 75 HA -0.22 -0.05 0.39 -0.75 4.32 3.67 2v7nD1 LYS 75 HB2 0.07 -0.05 -0.00 -0.04 1.87 1.85 2v7nD1 LYS 75 HB3 0.00 0.09 0.17 -0.04 1.79 2.01 2v7nD1 LYS 75 HG2 0.02 -0.02 -0.03 -0.04 1.46 1.39 2v7nD1 LYS 75 HG3 -0.05 0.06 -0.37 -0.04 1.46 1.07 2v7nD1 LYS 75 HD2 0.11 -0.02 0.00 -0.04 1.69 1.73 2v7nD1 LYS 75 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.64 2v7nD1 LYS 75 HE2 -0.09 0.03 0.02 -0.04 2.99 2.91 2v7nD1 LYS 75 HE3 -0.22 -0.15 0.19 -0.04 2.99 2.77 2v7nD1 GLY 76 H -0.28 0.12 0.18 -0.55 8.43 7.90 2v7nD1 GLY 76 HA2 -0.11 -0.04 0.37 -0.51 4.01 3.72 2v7nD1 GLY 76 HA3 -0.09 0.14 0.63 -0.51 4.01 4.19 2v7nD1 ARG 77 H -0.17 0.49 -0.25 -0.55 8.46 7.98 2v7nD1 ARG 77 HA -0.01 0.14 0.89 -0.75 4.34 4.60 2v7nD1 ARG 77 HB2 -0.23 0.08 0.09 -0.04 1.90 1.80 2v7nD1 ARG 77 HB3 0.03 0.13 0.04 -0.04 1.80 1.96 2v7nD1 ARG 77 HG2 -0.04 -0.04 -0.18 -0.04 1.67 1.37 2v7nD1 ARG 77 HG3 -0.10 0.07 -0.24 -0.04 1.67 1.36 2v7nD1 ARG 77 HD2 -0.03 0.15 0.01 -0.04 3.22 3.30 2v7nD1 ARG 77 HD3 -0.05 -0.08 -0.03 -0.04 3.22 3.01 2v7nD1 PHE 78 H -0.05 0.22 0.18 -0.55 8.34 8.14 2v7nD1 PHE 78 HA -0.08 0.36 1.04 -0.75 4.62 5.19 2v7nD1 PHE 78 HB2 0.00 -0.07 0.01 -0.04 3.15 3.05 2v7nD1 PHE 78 HB3 0.02 -0.03 -0.10 -0.04 3.06 2.91 2v7nD1 PHE 78 HD2 -0.05 -0.02 -0.30 -0.04 7.28 6.87 2v7nD1 PHE 78 HE2 0.04 0.01 -0.12 -0.04 7.38 7.27 2v7nD1 PHE 78 HZ 0.02 0.01 -0.09 -0.04 7.32 7.22 2v7nD1 THR 79 H 0.04 0.70 0.33 -0.55 8.28 8.80 2v7nD1 THR 79 HA 0.24 0.13 0.70 -0.75 4.39 4.71 2v7nD1 THR 79 HB 0.04 -0.09 0.07 -0.04 4.32 4.30 2v7nD1 THR 79 HG23 0.11 0.01 -0.12 -0.04 1.22 1.19 2v7nD1 ILE 80 H 0.42 0.18 0.08 -0.55 8.25 8.38 2v7nD1 ILE 80 HA 0.21 0.30 1.05 -0.75 4.18 4.99 2v7nD1 ILE 80 HB 0.22 -0.06 0.00 -0.04 1.89 2.02 2v7nD1 ILE 80 HG12 0.22 0.01 -0.25 -0.04 1.49 1.42 2v7nD1 ILE 80 HG13 0.53 0.20 0.07 -0.04 1.21 1.96 2v7nD1 ILE 80 HG23 -0.05 -0.02 -0.06 -0.04 0.93 0.76 2v7nD1 ILE 80 HD13 0.21 -0.04 -0.27 -0.04 0.88 0.73 2v7nD1 SER 81 H 0.30 0.40 0.24 -0.55 8.46 8.85 2v7nD1 SER 81 HA 0.16 0.19 0.53 -0.75 4.49 4.62 2v7nD1 SER 81 HB2 0.14 -0.01 0.18 -0.04 3.95 4.21 2v7nD1 SER 81 HB3 0.13 0.07 -0.21 -0.04 3.93 3.88 2v7nD1 ARG 82 H 0.19 0.29 0.24 -0.55 8.46 8.63 2v7nD1 ARG 82 HA 0.31 0.17 0.93 -0.75 4.34 5.00 2v7nD1 ARG 82 HB2 0.27 0.02 -0.01 -0.04 1.90 2.14 2v7nD1 ARG 82 HB3 0.16 0.04 -0.14 -0.04 1.80 1.82 2v7nD1 ARG 82 HG2 0.11 -0.07 0.05 -0.04 1.67 1.72 2v7nD1 ARG 82 HG3 0.11 -0.09 -0.12 -0.04 1.67 1.54 2v7nD1 ARG 82 HD2 0.01 -0.01 -0.13 -0.04 3.22 3.05 2v7nD1 ARG 82 HD3 0.02 -0.00 -0.07 -0.04 3.22 3.12 2v7nD1 ASP 83 H 0.27 0.91 0.28 -0.55 8.40 9.31 2v7nD1 ASP 83 HA 0.18 0.26 0.97 -0.75 4.63 5.29 2v7nD1 ASP 83 HB2 0.28 0.11 0.03 -0.04 2.71 3.09 2v7nD1 ASP 83 HB3 0.21 -0.03 0.23 -0.04 2.70 3.07 2v7nD1 ASN 84 H 0.17 0.31 -0.01 -0.55 8.53 8.45 2v7nD1 ASN 84 HA 0.40 0.04 0.31 -0.75 4.76 4.75 2v7nD1 ASN 84 HB2 0.11 0.02 0.08 -0.04 2.88 3.06 2v7nD1 ASN 84 HB3 0.12 0.01 0.05 -0.04 2.79 2.94 2v7nD1 ASN 84 HD21 0.06 0.42 0.14 -0.04 7.03 7.61 2v7nD1 ASN 84 HD22 0.08 -0.05 0.04 -0.04 7.74 7.77 2v7nD1 SER 85 H 0.10 0.01 -0.55 -0.55 8.46 7.48 2v7nD1 SER 85 HA 0.04 0.16 0.67 -0.75 4.49 4.61 2v7nD1 SER 85 HB2 0.06 -0.03 0.00 -0.04 3.95 3.94 2v7nD1 SER 85 HB3 0.03 0.05 0.00 -0.04 3.93 3.98 2v7nD1 LYS 86 H 0.05 0.36 0.06 -0.55 8.42 8.33 2v7nD1 LYS 86 HA -0.03 0.23 0.87 -0.75 4.32 4.64 2v7nD1 LYS 86 HB2 0.03 -0.03 0.08 -0.04 1.87 1.92 2v7nD1 LYS 86 HB3 -0.03 0.03 0.10 -0.04 1.79 1.84 2v7nD1 LYS 86 HG2 0.02 0.06 -0.03 -0.04 1.46 1.47 2v7nD1 LYS 86 HG3 0.06 -0.07 -0.04 -0.04 1.46 1.37 2v7nD1 LYS 86 HD2 0.13 -0.02 -0.03 -0.04 1.69 1.73 2v7nD1 LYS 86 HD3 0.04 0.02 -0.01 -0.04 1.68 1.69 2v7nD1 LYS 86 HE2 0.03 0.02 -0.01 -0.04 2.99 2.98 2v7nD1 LYS 86 HE3 0.04 -0.00 -0.03 -0.04 2.99 2.95 2v7nD1 ASN 87 H -0.05 0.08 -0.27 -0.55 8.53 7.75 2v7nD1 ASN 87 HA -0.46 -0.03 0.24 -0.75 4.76 3.75 2v7nD1 ASN 87 HB2 -0.32 0.20 0.10 -0.04 2.88 2.82 2v7nD1 ASN 87 HB3 -0.66 -0.04 0.24 -0.04 2.79 2.30 2v7nD1 ASN 87 HD21 -0.05 -0.04 0.06 -0.04 7.03 6.97 2v7nD1 ASN 87 HD22 -0.20 0.01 0.05 -0.04 7.74 7.56 2v7nD1 THR 88 H -0.18 0.24 0.00 -0.55 8.28 7.80 2v7nD1 THR 88 HA -0.43 0.38 1.09 -0.75 4.39 4.68 2v7nD1 THR 88 HB -0.16 -0.14 -0.03 -0.04 4.32 3.95 2v7nD1 THR 88 HG23 -0.54 0.03 -0.20 -0.04 1.22 0.46 2v7nD1 LEU 89 H -0.14 0.60 0.34 -0.55 8.37 8.62 2v7nD1 LEU 89 HA 0.15 0.17 0.97 -0.75 4.35 4.88 2v7nD1 LEU 89 HB2 0.21 -0.00 0.01 -0.04 1.64 1.82 2v7nD1 LEU 89 HB3 -0.05 -0.01 0.11 -0.04 1.64 1.64 2v7nD1 LEU 89 HG 0.31 0.06 -0.27 -0.04 1.64 1.70 2v7nD1 LEU 89 HD13 0.14 0.06 -0.02 -0.04 0.93 1.07 2v7nD1 LEU 89 HD23 -0.82 -0.03 -0.20 -0.04 0.89 -0.20 2v7nD1 TYR 90 H 0.36 0.75 0.38 -0.55 8.29 9.23 2v7nD1 TYR 90 HA 0.30 0.33 1.08 -0.75 4.56 5.52 2v7nD1 TYR 90 HB2 0.12 -0.11 -0.08 -0.04 3.06 2.96 2v7nD1 TYR 90 HB3 0.07 0.04 -0.02 -0.04 2.98 3.02 2v7nD1 TYR 90 HD2 0.09 0.05 -0.25 -0.04 7.15 6.99 2v7nD1 TYR 90 HE2 0.05 -0.03 -0.17 -0.04 6.85 6.67 2v7nD1 LEU 91 H 0.05 0.63 0.24 -0.55 8.37 8.75 2v7nD1 LEU 91 HA -0.08 0.24 0.82 -0.75 4.35 4.57 2v7nD1 LEU 91 HB2 -1.59 -0.00 -0.11 -0.04 1.64 -0.10 2v7nD1 LEU 91 HB3 -1.11 -0.08 0.08 -0.04 1.64 0.49 2v7nD1 LEU 91 HG -0.76 0.04 -0.42 -0.04 1.64 0.46 2v7nD1 LEU 91 HD13 -0.17 0.02 -0.21 -0.04 0.93 0.52 2v7nD1 LEU 91 HD23 -0.96 -0.02 -0.16 -0.04 0.89 -0.28 2v7nD1 GLN 92 H -0.06 1.00 0.33 -0.55 8.47 9.19 2v7nD1 GLN 92 HA -0.16 0.19 1.04 -0.75 4.36 4.67 2v7nD1 GLN 92 HB2 -0.04 -0.02 0.06 -0.04 2.15 2.11 2v7nD1 GLN 92 HB3 -0.04 -0.09 0.15 -0.04 2.02 2.01 2v7nD1 GLN 92 HG2 -0.05 -0.01 -0.08 -0.04 2.40 2.22 2v7nD1 GLN 92 HG3 -0.08 0.05 -0.19 -0.04 2.39 2.14 2v7nD1 GLN 92 HE21 -0.08 -0.04 -0.20 -0.04 6.97 6.61 2v7nD1 GLN 92 HE22 -0.08 0.02 -0.14 -0.04 7.69 7.44 2v7nD1 MET 93 H -0.25 0.68 0.36 -0.55 8.47 8.72 2v7nD1 MET 93 HA -0.30 0.16 0.92 -0.75 4.52 4.54 2v7nD1 MET 93 HB2 -0.38 -0.03 0.15 -0.04 2.15 1.84 2v7nD1 MET 93 HB3 -0.51 0.02 -0.06 -0.04 2.03 1.44 2v7nD1 MET 93 HG2 -1.63 -0.00 -0.33 -0.04 2.63 0.62 2v7nD1 MET 93 HG3 -0.73 0.08 -0.28 -0.04 2.56 1.59 2v7nD1 MET 93 HE3 -0.54 0.01 -0.21 -0.04 2.10 1.32 2v7nD1 ASN 94 H 0.13 0.53 0.18 -0.55 8.53 8.83 2v7nD1 ASN 94 HA -0.01 0.10 0.99 -0.75 4.76 5.08 2v7nD1 ASN 94 HB2 0.02 0.14 0.04 -0.04 2.88 3.04 2v7nD1 ASN 94 HB3 -0.00 -0.05 0.06 -0.04 2.79 2.75 2v7nD1 ASN 94 HD21 -0.03 -0.08 -0.16 -0.04 7.03 6.73 2v7nD1 ASN 94 HD22 -0.01 0.11 -0.10 -0.04 7.74 7.70 2v7nD1 SER 95 H 0.01 0.15 -0.06 -0.55 8.46 8.01 2v7nD1 SER 95 HA 0.01 0.01 0.27 -0.75 4.49 4.03 2v7nD1 SER 95 HB2 0.01 0.19 -0.14 -0.04 3.95 3.97 2v7nD1 SER 95 HB3 0.00 -0.05 0.17 -0.04 3.93 4.01 2v7nD1 LEU 96 H 0.03 0.76 -0.20 -0.55 8.37 8.42 2v7nD1 LEU 96 HA 0.11 0.06 0.14 -0.75 4.35 3.91 2v7nD1 LEU 96 HB2 0.02 -0.02 -0.16 -0.04 1.64 1.44 2v7nD1 LEU 96 HB3 0.05 -0.01 -0.19 -0.04 1.64 1.44 2v7nD1 LEU 96 HG 0.03 0.07 -0.43 -0.04 1.64 1.27 2v7nD1 LEU 96 HD13 -0.08 -0.02 -0.36 -0.04 0.93 0.43 2v7nD1 LEU 96 HD23 0.14 -0.00 -0.16 -0.04 0.89 0.82 2v7nD1 ARG 97 H 0.07 0.19 0.15 -0.55 8.46 8.31 2v7nD1 ARG 97 HA 0.02 0.16 0.90 -0.75 4.34 4.67 2v7nD1 ARG 97 HB2 0.02 -0.06 -0.03 -0.04 1.90 1.80 2v7nD1 ARG 97 HB3 0.01 -0.05 0.13 -0.04 1.80 1.85 2v7nD1 ARG 97 HG2 0.01 0.15 -0.18 -0.04 1.67 1.61 2v7nD1 ARG 97 HG3 0.01 0.06 -0.02 -0.04 1.67 1.68 2v7nD1 ARG 97 HD2 -0.01 -0.05 0.01 -0.04 3.22 3.13 2v7nD1 ARG 97 HD3 -0.02 0.09 -0.00 -0.04 3.22 3.25 2v7nD1 ALA 98 H 0.02 0.18 0.16 -0.55 8.40 8.21 2v7nD1 ALA 98 HA 0.05 0.29 0.39 -0.75 4.34 4.31 2v7nD1 ALA 98 HB3 0.02 0.01 0.16 -0.04 1.41 1.56 2v7nD1 GLU 99 H 0.03 0.04 -0.20 -0.55 8.60 7.92 2v7nD1 GLU 99 HA 0.04 0.14 0.44 -0.75 4.29 4.16 2v7nD1 GLU 99 HB2 0.03 0.04 0.11 -0.04 2.09 2.22 2v7nD1 GLU 99 HB3 0.02 0.00 0.09 -0.04 1.99 2.06 2v7nD1 GLU 99 HG2 0.02 0.04 -0.15 -0.04 2.34 2.20 2v7nD1 GLU 99 HG3 0.01 0.03 -0.02 -0.04 2.34 2.32 2v7nD1 ASP 100 H 0.08 0.72 -0.50 -0.55 8.40 8.15 2v7nD1 ASP 100 HA 0.16 0.14 0.69 -0.75 4.63 4.87 2v7nD1 ASP 100 HB2 0.15 0.08 -0.00 -0.04 2.71 2.90 2v7nD1 ASP 100 HB3 0.33 -0.03 0.03 -0.04 2.70 2.98 2v7nD1 THR 101 H 0.10 0.40 -0.13 -0.55 8.28 8.10 2v7nD1 THR 101 HA 0.14 0.17 0.58 -0.75 4.39 4.53 2v7nD1 THR 101 HB 0.08 0.02 0.25 -0.04 4.32 4.63 2v7nD1 THR 101 HG23 0.11 0.00 0.05 -0.04 1.22 1.34 2v7nD1 ALA 102 H 0.19 0.44 0.44 -0.55 8.40 8.92 2v7nD1 ALA 102 HA 0.03 0.08 0.43 -0.75 4.34 4.13 2v7nD1 ALA 102 HB3 -0.18 -0.00 -0.35 -0.04 1.41 0.84 2v7nD1 VAL 103 H -0.04 0.64 0.23 -0.55 8.24 8.53 2v7nD1 VAL 103 HA 0.00 0.15 0.90 -0.75 4.13 4.43 2v7nD1 VAL 103 HB -0.12 0.03 0.14 -0.04 2.12 2.14 2v7nD1 VAL 103 HG13 -0.51 -0.01 -0.28 -0.04 0.97 0.12 2v7nD1 VAL 103 HG23 -0.02 -0.01 -0.07 -0.04 0.95 0.81 2v7nD1 TYR 104 H 0.19 0.77 0.34 -0.55 8.29 9.04 2v7nD1 TYR 104 HA 0.10 0.18 0.85 -0.75 4.56 4.93 2v7nD1 TYR 104 HB2 -0.04 0.01 0.13 -0.04 3.06 3.12 2v7nD1 TYR 104 HB3 0.09 -0.03 -0.10 -0.04 2.98 2.90 2v7nD1 TYR 104 HD2 -0.08 0.04 -0.11 -0.04 7.15 6.96 2v7nD1 TYR 104 HE2 0.05 0.06 -0.06 -0.04 6.85 6.86 2v7nD1 TYR 105 H 0.39 0.95 0.42 -0.55 8.29 9.50 2v7nD1 TYR 105 HA 0.29 0.01 0.95 -0.75 4.56 5.06 2v7nD1 TYR 105 HB2 0.38 -0.03 0.06 -0.04 3.06 3.43 2v7nD1 TYR 105 HB3 0.43 0.06 -0.09 -0.04 2.98 3.34 2v7nD1 TYR 105 HD2 0.21 0.02 -0.26 -0.04 7.15 7.08 2v7nD1 TYR 105 HE2 0.03 0.08 -0.20 -0.04 6.85 6.72 2v7nD1 CYS 106 H 0.07 0.04 0.14 -0.55 8.50 8.20 2v7nD1 CYS 106 HA -0.65 0.34 1.11 -0.75 4.58 4.63 2v7nD1 CYS 106 HB2 -0.78 0.07 0.02 -0.04 2.97 2.24 2v7nD1 CYS 106 HB3 -1.92 0.01 -0.03 -0.04 2.97 0.99 2v7nD1 ALA 107 H -0.40 0.65 0.31 -0.55 8.40 8.41 2v7nD1 ALA 107 HA -0.37 0.24 0.85 -0.75 4.34 4.31 2v7nD1 ALA 107 HB3 -1.19 -0.01 -0.13 -0.04 1.41 0.04 2v7nD1 ARG 108 H -0.30 0.55 0.26 -0.55 8.46 8.42 2v7nD1 ARG 108 HA -0.18 0.17 0.75 -0.75 4.34 4.33 2v7nD1 ARG 108 HB2 -0.48 0.00 0.07 -0.04 1.90 1.44 2v7nD1 ARG 108 HB3 -0.38 -0.14 0.10 -0.04 1.80 1.33 2v7nD1 ARG 108 HG2 -0.31 0.16 0.01 -0.04 1.67 1.49 2v7nD1 ARG 108 HG3 -1.08 -0.03 -0.09 -0.04 1.67 0.44 2v7nD1 ARG 108 HD2 -0.30 -0.06 -0.67 -0.04 3.22 2.15 2v7nD1 ARG 108 HD3 -0.29 0.03 -0.18 -0.04 3.22 2.74 2v7nD1 PHE 109 H -0.10 0.66 0.22 -0.55 8.34 8.57 2v7nD1 PHE 109 HA -0.35 0.23 0.85 -0.75 4.62 4.59 2v7nD1 PHE 109 HB2 -1.05 0.02 -0.16 -0.04 3.15 1.92 2v7nD1 PHE 109 HB3 -0.48 -0.00 -0.09 -0.04 3.06 2.45 2v7nD1 PHE 109 HD2 -0.68 0.05 -0.17 -0.04 7.28 6.44 2v7nD1 PHE 109 HE2 -0.37 0.03 -0.05 -0.04 7.38 6.95 2v7nD1 PHE 109 HZ -0.20 0.03 -0.02 -0.04 7.32 7.09 2v7nD1 ALA 110 H -0.69 0.64 0.15 -0.55 8.40 7.95 2v7nD1 ALA 110 HA -0.32 0.21 0.76 -0.75 4.34 4.24 2v7nD1 ALA 110 HB3 -0.19 0.00 -0.19 -0.04 1.41 1.00 2v7nD1 GLY 111 H -2.02 0.08 -0.02 -0.55 8.43 5.92 2v7nD1 GLY 111 HA2 -0.79 0.08 0.32 -0.51 4.01 3.11 2v7nD1 GLY 111 HA3 -0.39 0.10 0.31 -0.51 4.01 3.53 2v7nD1 GLY 112 H -0.11 0.16 0.19 -0.55 8.43 8.13 2v7nD1 GLY 112 HA2 -0.20 0.05 0.45 -0.51 4.01 3.80 2v7nD1 GLY 112 HA3 -0.27 0.05 0.36 -0.51 4.01 3.64 2v7nD1 TRP 113 H 0.07 0.54 -0.46 -0.55 7.97 7.58 2v7nD1 TRP 113 HA -0.11 0.19 0.80 -0.75 4.62 4.75 2v7nD1 TRP 113 HB2 -0.17 0.07 0.07 -0.04 3.23 3.15 2v7nD1 TRP 113 HB3 -0.11 -0.01 0.16 -0.04 3.23 3.23 2v7nD1 TRP 113 HD1 -0.13 0.07 0.04 -0.04 7.22 7.16 2v7nD1 TRP 113 HE1 -0.05 -0.03 -0.01 -0.04 10.20 10.07 2v7nD1 TRP 113 HE3 -0.06 0.02 0.04 -0.04 7.59 7.55 2v7nD1 TRP 113 HZ2 -0.03 -0.02 -0.01 -0.04 7.44 7.34 2v7nD1 TRP 113 HZ3 -0.04 -0.00 0.01 -0.04 7.13 7.06 2v7nD1 TRP 113 HH2 -0.03 -0.01 -0.00 -0.04 7.19 7.11 2v7nD1 GLY 134 H -0.14 0.38 -0.25 -0.55 8.43 7.87 2v7nD1 GLY 134 HA2 -0.06 0.05 0.14 -0.51 4.01 3.63 2v7nD1 GLY 134 HA3 -0.07 0.13 0.56 -0.51 4.01 4.12 2v7nD1 ALA 135 H -0.33 0.49 0.08 -0.55 8.40 8.10 2v7nD1 ALA 135 HA -0.48 -0.10 0.35 -0.75 4.34 3.35 2v7nD1 ALA 135 HB3 -0.11 0.06 0.03 -0.04 1.41 1.36 2v7nD1 TYR 136 H -0.08 0.13 0.10 -0.55 8.29 7.89 2v7nD1 TYR 136 HA -0.29 0.35 0.75 -0.75 4.56 4.61 2v7nD1 TYR 136 HB2 0.09 0.00 0.16 -0.04 3.06 3.27 2v7nD1 TYR 136 HB3 -1.13 0.03 -0.04 -0.04 2.98 1.81 2v7nD1 TYR 136 HD2 -0.04 0.11 -0.20 -0.04 7.15 6.97 2v7nD1 TYR 136 HE2 -0.15 -0.01 -0.14 -0.04 6.85 6.51 2v7nD1 ASP 137 H -0.15 0.28 0.07 -0.55 8.40 8.04 2v7nD1 ASP 137 HA 0.08 0.20 0.63 -0.75 4.63 4.78 2v7nD1 ASP 137 HB2 -0.02 -0.02 0.08 -0.04 2.71 2.71 2v7nD1 ASP 137 HB3 -0.05 0.15 -0.02 -0.04 2.70 2.74 2v7nD1 VAL 138 H -0.22 0.14 0.03 -0.55 8.24 7.64 2v7nD1 VAL 138 HA 0.06 0.30 0.98 -0.75 4.13 4.71 2v7nD1 VAL 138 HB -0.20 -0.16 0.03 -0.04 2.12 1.75 2v7nD1 VAL 138 HG13 0.08 0.03 -0.18 -0.04 0.97 0.85 2v7nD1 VAL 138 HG23 -0.20 0.02 -0.17 -0.04 0.95 0.55 2v7nD1 TRP 139 H 0.27 0.28 0.11 -0.55 7.97 8.09 2v7nD1 TRP 139 HA -0.03 0.16 1.07 -0.75 4.62 5.06 2v7nD1 TRP 139 HB2 -0.04 0.01 0.06 -0.04 3.23 3.22 2v7nD1 TRP 139 HB3 -0.07 0.13 0.00 -0.04 3.23 3.25 2v7nD1 TRP 139 HD1 -0.02 0.02 -0.27 -0.04 7.22 6.91 2v7nD1 TRP 139 HE1 0.04 0.19 -0.04 -0.04 10.20 10.35 2v7nD1 TRP 139 HE3 -0.27 0.04 -0.11 -0.04 7.59 7.21 2v7nD1 TRP 139 HZ2 0.11 -0.03 -0.04 -0.04 7.44 7.44 2v7nD1 TRP 139 HZ3 -0.23 -0.03 -0.14 -0.04 7.13 6.69 2v7nD1 TRP 139 HH2 -0.15 -0.06 -0.10 -0.04 7.19 6.83 2v7nD1 GLY 140 H 0.20 0.59 0.29 -0.55 8.43 8.96 2v7nD1 GLY 140 HA2 0.14 0.31 0.70 -0.51 4.01 4.66 2v7nD1 GLY 140 HA3 0.15 -0.17 0.36 -0.51 4.01 3.84 2v7nD1 GLN 141 H 0.14 0.09 0.28 -0.55 8.47 8.44 2v7nD1 GLN 141 HA 0.19 0.17 0.62 -0.75 4.36 4.59 2v7nD1 GLN 141 HB2 0.09 0.01 0.17 -0.04 2.15 2.38 2v7nD1 GLN 141 HB3 0.09 0.01 0.19 -0.04 2.02 2.27 2v7nD1 GLN 141 HG2 0.08 0.29 -0.20 -0.04 2.40 2.53 2v7nD1 GLN 141 HG3 0.06 -0.02 0.05 -0.04 2.39 2.44 2v7nD1 GLN 141 HE21 0.05 0.16 0.17 -0.04 6.97 7.32 2v7nD1 GLN 141 HE22 0.05 0.11 0.08 -0.04 7.69 7.90 2v7nD1 GLY 142 H 0.19 -0.18 -0.06 -0.55 8.43 7.83 2v7nD1 GLY 142 HA2 -0.09 0.14 0.32 -0.51 4.01 3.87 2v7nD1 GLY 142 HA3 -0.24 0.19 0.59 -0.51 4.01 4.03 2v7nD1 THR 143 H 0.04 0.62 0.31 -0.55 8.28 8.70 2v7nD1 THR 143 HA 0.02 0.21 0.65 -0.75 4.39 4.52 2v7nD1 THR 143 HB 0.08 0.02 -0.16 -0.04 4.32 4.22 2v7nD1 THR 143 HG23 0.06 0.04 -0.09 -0.04 1.22 1.19 2v7nD1 LEU 144 H 0.01 0.17 0.11 -0.55 8.37 8.11 2v7nD1 LEU 144 HA 0.05 0.17 0.74 -0.75 4.35 4.56 2v7nD1 LEU 144 HB2 0.01 0.02 -0.02 -0.04 1.64 1.61 2v7nD1 LEU 144 HB3 0.00 -0.01 0.09 -0.04 1.64 1.68 2v7nD1 LEU 144 HG 0.04 0.08 -0.33 -0.04 1.64 1.38 2v7nD1 LEU 144 HD13 0.01 -0.00 -0.12 -0.04 0.93 0.78 2v7nD1 LEU 144 HD23 -0.01 -0.02 -0.25 -0.04 0.89 0.57 2v7nD1 VAL 145 H 0.13 0.73 0.40 -0.55 8.24 8.94 2v7nD1 VAL 145 HA -0.01 0.03 1.05 -0.75 4.13 4.44 2v7nD1 VAL 145 HB 0.21 0.08 0.22 -0.04 2.12 2.59 2v7nD1 VAL 145 HG13 -0.08 -0.01 -0.24 -0.04 0.97 0.60 2v7nD1 VAL 145 HG23 -0.32 -0.01 -0.18 -0.04 0.95 0.40 2v7nD1 THR 146 H 0.02 0.83 0.23 -0.55 8.28 8.81 2v7nD1 THR 146 HA 0.10 0.17 1.14 -0.75 4.39 5.04 2v7nD1 THR 146 HB 0.05 -0.03 0.03 -0.04 4.32 4.33 2v7nD1 THR 146 HG23 0.19 0.00 -0.10 -0.04 1.22 1.27 2v7nD1 VAL 147 H 0.10 0.21 0.10 -0.55 8.24 8.10 2v7nD1 VAL 147 HA 0.07 0.48 0.94 -0.75 4.13 4.86 2v7nD1 VAL 147 HB 0.07 -0.01 -0.05 -0.04 2.12 2.09 2v7nD1 VAL 147 HG13 0.04 -0.02 -0.62 -0.04 0.97 0.33 2v7nD1 VAL 147 HG23 0.06 0.00 -0.36 -0.04 0.95 0.61 2v7nD1 SER 148 H 0.08 0.64 0.17 -0.55 8.46 8.80 2v7nD1 SER 148 HA 0.01 0.03 0.65 -0.75 4.49 4.42 2v7nD1 SER 148 HB2 0.10 0.12 -0.08 -0.04 3.95 4.04 2v7nD1 SER 148 HB3 0.27 0.04 -0.15 -0.04 3.93 4.06 2v7nD1 SER 149 H -0.05 0.14 0.16 -0.55 8.46 8.16 2v7nD1 SER 149 HA -0.01 0.12 0.53 -0.75 4.49 4.37 2v7nD1 SER 149 HB2 -0.04 0.02 0.12 -0.04 3.95 4.02 2v7nD1 SER 149 HB3 -0.03 -0.02 0.12 -0.04 3.93 3.96 2v7nD1 ALA 150 H -0.21 -0.06 -0.39 -0.55 8.40 7.18 2v7nD1 ALA 150 HA -0.17 0.05 0.39 -0.75 4.34 3.85 2v7nD1 ALA 150 HB3 -0.80 0.02 -0.04 -0.04 1.41 0.54 2v7nD1 SER 151 H -0.05 0.08 0.11 -0.55 8.46 8.06 2v7nD1 SER 151 HA 0.11 0.10 0.67 -0.75 4.49 4.61 2v7nD1 SER 151 HB2 0.05 0.05 -0.03 -0.04 3.95 3.98 2v7nD1 SER 151 HB3 0.06 -0.00 0.08 -0.04 3.93 4.03 2v7nD1 THR 152 H 0.17 0.06 0.09 -0.55 8.28 8.05 2v7nD1 THR 152 HA 0.31 0.23 0.33 -0.75 4.39 4.51 2v7nD1 THR 152 HB 0.10 -0.08 0.13 -0.04 4.32 4.43 2v7nD1 THR 152 HG23 0.09 0.06 -0.14 -0.04 1.22 1.19 2v7nD1 LYS 153 H 0.31 0.59 0.31 -0.55 8.42 9.06 2v7nD1 LYS 153 HA 0.12 0.04 0.75 -0.75 4.32 4.49 2v7nD1 LYS 153 HB2 0.10 0.04 -0.24 -0.04 1.87 1.73 2v7nD1 LYS 153 HB3 0.14 -0.06 -0.06 -0.04 1.79 1.77 2v7nD1 LYS 153 HG2 0.07 0.41 -0.14 -0.04 1.46 1.76 2v7nD1 LYS 153 HG3 0.06 -0.11 0.06 -0.04 1.46 1.43 2v7nD1 LYS 153 HD2 0.04 -0.09 -0.05 -0.04 1.69 1.55 2v7nD1 LYS 153 HD3 0.05 -0.02 -0.08 -0.04 1.68 1.59 2v7nD1 LYS 153 HE2 0.04 -0.09 -0.00 -0.04 2.99 2.89 2v7nD1 LYS 153 HE3 0.03 -0.13 -0.00 -0.04 2.99 2.85 2v7nD1 GLY 154 H 0.11 0.11 0.13 -0.55 8.43 8.23 2v7nD1 GLY 154 HA2 0.14 0.02 0.55 -0.51 4.01 4.21 2v7nD1 GLY 154 HA3 0.09 0.02 0.30 -0.51 4.01 3.91 2v7nD1 PRO 155 HA 0.04 0.39 0.28 -0.51 4.44 4.64 2v7nD1 PRO 155 HB2 -0.05 0.04 -0.25 -0.04 2.28 1.97 2v7nD1 PRO 155 HB3 0.09 -0.06 -0.28 -0.04 2.02 1.73 2v7nD1 PRO 155 HG2 -0.13 -0.00 -0.19 -0.04 2.03 1.66 2v7nD1 PRO 155 HG3 -0.30 -0.01 -0.14 -0.04 2.03 1.53 2v7nD1 PRO 155 HD2 -0.04 0.05 0.07 -0.04 3.68 3.72 2v7nD1 PRO 155 HD3 -0.21 0.09 0.14 -0.04 3.65 3.63 2v7nD1 SER 156 H -0.05 0.69 0.26 -0.55 8.46 8.81 2v7nD1 SER 156 HA -0.21 0.13 0.82 -0.75 4.49 4.48 2v7nD1 SER 156 HB2 -0.23 -0.04 0.10 -0.04 3.95 3.74 2v7nD1 SER 156 HB3 -0.48 -0.02 0.04 -0.04 3.93 3.43 2v7nD1 VAL 157 H -0.39 0.19 0.09 -0.55 8.24 7.58 2v7nD1 VAL 157 HA -0.29 0.37 1.10 -0.75 4.13 4.56 2v7nD1 VAL 157 HB -0.16 -0.03 0.02 -0.04 2.12 1.91 2v7nD1 VAL 157 HG13 -0.12 -0.01 -0.25 -0.04 0.97 0.55 2v7nD1 VAL 157 HG23 -0.15 0.00 -0.32 -0.04 0.95 0.44 2v7nD1 PHE 158 H -0.07 0.62 0.33 -0.55 8.34 8.67 2v7nD1 PHE 158 HA 0.02 0.22 0.98 -0.75 4.62 5.09 2v7nD1 PHE 158 HB2 0.03 -0.06 0.07 -0.04 3.15 3.16 2v7nD1 PHE 158 HB3 0.03 0.07 0.09 -0.04 3.06 3.21 2v7nD1 PHE 158 HD2 0.02 0.03 -0.05 -0.04 7.28 7.24 2v7nD1 PHE 158 HE2 0.02 -0.01 -0.07 -0.04 7.38 7.28 2v7nD1 PHE 158 HZ 0.02 0.00 -0.06 -0.04 7.32 7.24 2v7nD1 PRO 159 HA 0.14 0.15 0.58 -0.51 4.44 4.80 2v7nD1 PRO 159 HB2 0.11 -0.00 -0.00 -0.04 2.28 2.34 2v7nD1 PRO 159 HB3 0.11 0.12 0.13 -0.04 2.02 2.34 2v7nD1 PRO 159 HG2 0.10 -0.01 0.12 -0.04 2.03 2.20 2v7nD1 PRO 159 HG3 0.10 0.07 0.14 -0.04 2.03 2.30 2v7nD1 PRO 159 HD2 0.23 0.07 0.27 -0.04 3.68 4.21 2v7nD1 PRO 159 HD3 0.16 0.18 0.23 -0.04 3.65 4.18 2v7nD1 LEU 160 H 0.17 0.75 0.14 -0.55 8.37 8.88 2v7nD1 LEU 160 HA 0.09 0.15 0.73 -0.75 4.35 4.56 2v7nD1 LEU 160 HB2 0.15 -0.16 -0.02 -0.04 1.64 1.56 2v7nD1 LEU 160 HB3 0.09 0.05 -0.08 -0.04 1.64 1.66 2v7nD1 LEU 160 HG 0.14 -0.04 -0.46 -0.04 1.64 1.25 2v7nD1 LEU 160 HD13 0.14 -0.00 -0.25 -0.04 0.93 0.78 2v7nD1 LEU 160 HD23 0.08 0.03 -0.08 -0.04 0.89 0.88 2v7nD1 ALA 161 H 0.06 0.16 -0.07 -0.55 8.40 8.00 2v7nD1 ALA 161 HA 0.06 0.08 0.18 -0.75 4.34 3.90 2v7nD1 ALA 161 HB3 0.05 0.01 0.06 -0.04 1.41 1.49 2v7nD1 PRO 162 HA -0.01 0.34 0.36 -0.51 4.44 4.62 2v7nD1 PRO 162 HB2 -0.01 -0.03 0.05 -0.04 2.28 2.24 2v7nD1 PRO 162 HB3 -0.06 0.08 -0.09 -0.04 2.02 1.91 2v7nD1 PRO 162 HG2 0.02 -0.04 -0.01 -0.04 2.03 1.96 2v7nD1 PRO 162 HG3 -0.01 0.09 -0.06 -0.04 2.03 2.01 2v7nD1 PRO 162 HD2 0.04 0.11 -0.34 -0.04 3.68 3.45 2v7nD1 PRO 162 HD3 0.02 0.15 0.02 -0.04 3.65 3.79 2v7nD1 GLY 169 HA2 -0.00 0.02 0.25 -0.51 4.01 3.76 2v7nD1 GLY 169 HA3 -0.00 -0.05 0.23 -0.51 4.01 3.68 2v7nD1 GLY 170 H -0.00 0.09 0.06 -0.55 8.43 8.03 2v7nD1 GLY 170 HA2 -0.00 -0.02 0.38 -0.51 4.01 3.86 2v7nD1 GLY 170 HA3 -0.01 0.25 0.82 -0.51 4.01 4.56 2v7nD1 THR 171 H -0.01 0.27 -0.11 -0.55 8.28 7.88 2v7nD1 THR 171 HA -0.03 0.21 0.92 -0.75 4.39 4.74 2v7nD1 THR 171 HB -0.02 0.01 -0.01 -0.04 4.32 4.26 2v7nD1 THR 171 HG23 -0.04 0.01 -0.23 -0.04 1.22 0.92 2v7nD1 ALA 172 H -0.05 1.04 0.36 -0.55 8.40 9.20 2v7nD1 ALA 172 HA -0.03 0.17 1.05 -0.75 4.34 4.77 2v7nD1 ALA 172 HB3 -0.05 0.00 -0.01 -0.04 1.41 1.32 2v7nD1 ALA 173 H -0.04 0.15 0.19 -0.55 8.40 8.15 2v7nD1 ALA 173 HA -0.12 0.38 1.19 -0.75 4.34 5.04 2v7nD1 ALA 173 HB3 -0.02 -0.01 0.01 -0.04 1.41 1.35 2v7nD1 LEU 174 H -0.20 0.58 0.38 -0.55 8.37 8.59 2v7nD1 LEU 174 HA -0.03 0.27 0.56 -0.75 4.35 4.40 2v7nD1 LEU 174 HB2 -0.04 0.04 0.13 -0.04 1.64 1.73 2v7nD1 LEU 174 HB3 -0.13 -0.02 -0.14 -0.04 1.64 1.30 2v7nD1 LEU 174 HG -0.48 0.00 -0.01 -0.04 1.64 1.11 2v7nD1 LEU 174 HD13 -0.41 0.00 -0.21 -0.04 0.93 0.27 2v7nD1 LEU 174 HD23 -0.67 -0.00 -0.19 -0.04 0.89 -0.01 2v7nD1 GLY 175 H 0.14 0.54 0.34 -0.55 8.43 8.90 2v7nD1 GLY 175 HA2 0.42 0.04 0.52 -0.51 4.01 4.48 2v7nD1 GLY 175 HA3 0.25 0.08 0.58 -0.51 4.01 4.41 2v7nD1 CYS 176 H 0.39 0.80 0.41 -0.55 8.50 9.55 2v7nD1 CYS 176 HA 0.15 0.21 0.86 -0.75 4.58 5.05 2v7nD1 CYS 176 HB2 -0.08 -0.05 0.04 -0.04 2.97 2.84 2v7nD1 CYS 176 HB3 -0.05 0.02 -0.15 -0.04 2.97 2.75 2v7nD1 LEU 177 H 0.13 0.76 0.21 -0.55 8.37 8.93 2v7nD1 LEU 177 HA 0.13 0.13 0.90 -0.75 4.35 4.75 2v7nD1 LEU 177 HB2 0.15 -0.01 -0.02 -0.04 1.64 1.72 2v7nD1 LEU 177 HB3 0.24 0.03 0.14 -0.04 1.64 2.00 2v7nD1 LEU 177 HG 0.24 -0.03 -0.27 -0.04 1.64 1.54 2v7nD1 LEU 177 HD13 0.11 0.04 -0.14 -0.04 0.93 0.90 2v7nD1 LEU 177 HD23 0.20 -0.01 -0.07 -0.04 0.89 0.98 2v7nD1 VAL 178 H 0.10 0.89 0.33 -0.55 8.24 9.01 2v7nD1 VAL 178 HA -0.04 0.26 0.96 -0.75 4.13 4.56 2v7nD1 VAL 178 HB 0.05 -0.08 0.10 -0.04 2.12 2.16 2v7nD1 VAL 178 HG13 -0.13 -0.00 -0.21 -0.04 0.97 0.58 2v7nD1 VAL 178 HG23 -0.06 0.01 -0.23 -0.04 0.95 0.62 2v7nD1 LYS 179 H -0.02 0.78 0.27 -0.55 8.42 8.90 2v7nD1 LYS 179 HA 0.13 0.08 1.07 -0.75 4.32 4.85 2v7nD1 LYS 179 HB2 0.21 -0.01 -0.12 -0.04 1.87 1.91 2v7nD1 LYS 179 HB3 0.19 0.01 0.03 -0.04 1.79 1.98 2v7nD1 LYS 179 HG2 0.10 0.03 -0.09 -0.04 1.46 1.47 2v7nD1 LYS 179 HG3 0.10 -0.04 0.03 -0.04 1.46 1.51 2v7nD1 LYS 179 HD2 0.15 -0.01 -0.07 -0.04 1.69 1.71 2v7nD1 LYS 179 HD3 0.26 0.02 -0.07 -0.04 1.68 1.85 2v7nD1 LYS 179 HE2 0.06 -0.01 -0.05 -0.04 2.99 2.95 2v7nD1 LYS 179 HE3 0.05 -0.02 -0.05 -0.04 2.99 2.93 2v7nD1 ASP 180 H 0.04 0.35 0.31 -0.55 8.40 8.55 2v7nD1 ASP 180 HA -0.02 0.02 0.31 -0.75 4.63 4.19 2v7nD1 ASP 180 HB2 0.06 0.14 -0.02 -0.04 2.71 2.84 2v7nD1 ASP 180 HB3 0.03 0.02 0.11 -0.04 2.70 2.81 2v7nD1 TYR 181 H -0.15 0.17 -0.05 -0.55 8.29 7.71 2v7nD1 TYR 181 HA -0.04 0.43 0.59 -0.75 4.56 4.79 2v7nD1 TYR 181 HB2 -0.71 0.08 0.02 -0.04 3.06 2.41 2v7nD1 TYR 181 HB3 -0.24 -0.06 -0.20 -0.04 2.98 2.44 2v7nD1 TYR 181 HD2 -0.12 0.13 -0.43 -0.04 7.15 6.69 2v7nD1 TYR 181 HE2 -0.08 -0.04 -0.26 -0.04 6.85 6.43 2v7nD1 PHE 182 H 0.21 0.58 0.19 -0.55 8.34 8.77 2v7nD1 PHE 182 HA 0.25 -0.11 0.40 -0.75 4.62 4.40 2v7nD1 PHE 182 HB2 0.02 0.06 -0.20 -0.04 3.15 3.00 2v7nD1 PHE 182 HB3 0.08 0.14 -0.13 -0.04 3.06 3.11 2v7nD1 PHE 182 HD2 0.06 -0.02 -0.32 -0.04 7.28 6.96 2v7nD1 PHE 182 HE2 0.04 0.03 -0.11 -0.04 7.38 7.31 2v7nD1 PHE 182 HZ 0.05 -0.07 -0.12 -0.04 7.32 7.14 2v7nD1 PRO 183 HA -0.80 0.05 0.28 -0.51 4.44 3.46 2v7nD1 PRO 183 HB2 -0.33 -0.03 0.12 -0.04 2.28 2.00 2v7nD1 PRO 183 HB3 -1.10 0.01 0.05 -0.04 2.02 0.94 2v7nD1 PRO 183 HG2 -0.14 0.30 -0.08 -0.04 2.03 2.08 2v7nD1 PRO 183 HG3 -0.21 -0.03 0.05 -0.04 2.03 1.79 2v7nD1 PRO 183 HD2 -0.03 0.07 0.27 -0.04 3.68 3.95 2v7nD1 PRO 183 HD3 -0.14 0.07 0.11 -0.04 3.65 3.66 2v7nD1 GLU 184 H -0.19 0.05 0.05 -0.55 8.60 7.96 2v7nD1 GLU 184 HA 0.06 0.03 0.44 -0.75 4.29 4.07 2v7nD1 GLU 184 HB2 -0.18 -0.00 0.03 -0.04 2.09 1.90 2v7nD1 GLU 184 HB3 -0.13 0.01 0.06 -0.04 1.99 1.90 2v7nD1 GLU 184 HG2 -0.81 -0.01 -0.04 -0.04 2.34 1.44 2v7nD1 GLU 184 HG3 -1.18 0.00 -0.02 -0.04 2.34 1.10 2v7nD1 PRO 185 HA -0.01 -0.01 0.37 -0.51 4.44 4.28 2v7nD1 PRO 185 HB2 -0.03 0.12 0.03 -0.04 2.28 2.36 2v7nD1 PRO 185 HB3 -0.04 0.00 0.04 -0.04 2.02 1.99 2v7nD1 PRO 185 HG2 -0.04 0.01 -0.10 -0.04 2.03 1.87 2v7nD1 PRO 185 HG3 -0.03 0.03 -0.01 -0.04 2.03 1.98 2v7nD1 PRO 185 HD2 -0.05 0.01 0.21 -0.04 3.68 3.82 2v7nD1 PRO 185 HD3 -0.05 0.14 0.36 -0.04 3.65 4.06 2v7nD1 VAL 186 H -0.09 0.16 0.16 -0.55 8.24 7.93 2v7nD1 VAL 186 HA -0.09 0.30 0.90 -0.75 4.13 4.48 2v7nD1 VAL 186 HB -0.91 -0.03 -0.10 -0.04 2.12 1.04 2v7nD1 VAL 186 HG13 -0.24 -0.02 -0.22 -0.04 0.97 0.45 2v7nD1 VAL 186 HG23 -0.29 0.01 -0.12 -0.04 0.95 0.51 2v7nD1 THR 187 H -0.09 0.55 0.33 -0.55 8.28 8.53 2v7nD1 THR 187 HA -0.05 0.22 1.07 -0.75 4.39 4.87 2v7nD1 THR 187 HB -0.05 0.02 -0.02 -0.04 4.32 4.23 2v7nD1 THR 187 HG23 -0.04 0.01 -0.08 -0.04 1.22 1.07 2v7nD1 VAL 188 H -0.05 0.23 0.12 -0.55 8.24 7.99 2v7nD1 VAL 188 HA -0.16 0.44 1.12 -0.75 4.13 4.79 2v7nD1 VAL 188 HB -0.04 -0.03 0.06 -0.04 2.12 2.07 2v7nD1 VAL 188 HG13 -0.32 -0.01 -0.19 -0.04 0.97 0.42 2v7nD1 VAL 188 HG23 -0.10 -0.01 -0.32 -0.04 0.95 0.48 2v7nD1 SER 189 H -0.17 0.60 0.31 -0.55 8.46 8.65 2v7nD1 SER 189 HA 0.02 0.30 0.98 -0.75 4.49 5.03 2v7nD1 SER 189 HB2 0.02 -0.02 0.09 -0.04 3.95 4.00 2v7nD1 SER 189 HB3 -0.02 0.05 -0.07 -0.04 3.93 3.85 2v7nD1 TRP 190 H 0.21 0.32 0.17 -0.55 7.97 8.12 2v7nD1 TRP 190 HA 0.03 0.28 1.08 -0.75 4.62 5.25 2v7nD1 TRP 190 HB2 0.03 0.21 0.10 -0.04 3.23 3.52 2v7nD1 TRP 190 HB3 0.07 -0.01 -0.06 -0.04 3.23 3.20 2v7nD1 TRP 190 HD1 -0.00 0.04 -0.25 -0.04 7.22 6.96 2v7nD1 TRP 190 HE1 0.01 -0.03 -0.32 -0.04 10.20 9.82 2v7nD1 TRP 190 HE3 0.12 -0.07 -0.30 -0.04 7.59 7.29 2v7nD1 TRP 190 HZ2 0.03 0.12 -0.17 -0.04 7.44 7.37 2v7nD1 TRP 190 HZ3 0.08 0.01 -0.33 -0.04 7.13 6.85 2v7nD1 TRP 190 HH2 0.02 0.06 -0.36 -0.04 7.19 6.87 2v7nD1 ASN 191 H 0.19 0.84 0.32 -0.55 8.53 9.33 2v7nD1 ASN 191 HA 0.09 0.08 0.35 -0.75 4.76 4.52 2v7nD1 ASN 191 HB2 0.15 0.01 -0.10 -0.04 2.88 2.90 2v7nD1 ASN 191 HB3 0.06 0.04 0.20 -0.04 2.79 3.06 2v7nD1 ASN 191 HD21 -0.09 0.30 0.14 -0.04 7.03 7.34 2v7nD1 ASN 191 HD22 0.02 -0.05 -0.02 -0.04 7.74 7.65 2v7nD1 SER 192 H 0.02 0.11 -0.28 -0.55 8.46 7.76 2v7nD1 SER 192 HA -0.00 0.02 0.17 -0.75 4.49 3.92 2v7nD1 SER 192 HB2 0.01 0.14 -0.11 -0.04 3.95 3.95 2v7nD1 SER 192 HB3 0.00 0.03 0.11 -0.04 3.93 4.03 2v7nD1 GLY 193 H 0.07 0.27 -0.60 -0.55 8.43 7.62 2v7nD1 GLY 193 HA2 0.05 -0.03 0.27 -0.51 4.01 3.79 2v7nD1 GLY 193 HA3 0.03 0.18 0.70 -0.51 4.01 4.41 2v7nD1 ALA 194 H 0.05 0.55 -0.11 -0.55 8.40 8.34 2v7nD1 ALA 194 HA 0.03 0.06 0.45 -0.75 4.34 4.13 2v7nD1 ALA 194 HB3 0.03 -0.00 0.11 -0.04 1.41 1.51 2v7nD1 LEU 195 H 0.12 0.35 -0.15 -0.55 8.37 8.15 2v7nD1 LEU 195 HA 0.05 0.12 0.96 -0.75 4.35 4.73 2v7nD1 LEU 195 HB2 0.14 -0.01 -0.09 -0.04 1.64 1.64 2v7nD1 LEU 195 HB3 0.24 -0.06 -0.01 -0.04 1.64 1.77 2v7nD1 LEU 195 HG -0.07 0.00 -0.26 -0.04 1.64 1.27 2v7nD1 LEU 195 HD13 -0.01 -0.00 -0.02 -0.04 0.93 0.85 2v7nD1 LEU 195 HD23 0.06 -0.01 -0.14 -0.04 0.89 0.76 2v7nD1 THR 196 H 0.01 -0.00 0.17 -0.55 8.28 7.91 2v7nD1 THR 196 HA 0.04 0.24 1.00 -0.75 4.39 4.91 2v7nD1 THR 196 HB 0.01 -0.03 0.05 -0.04 4.32 4.30 2v7nD1 THR 196 HG23 0.04 0.03 -0.18 -0.04 1.22 1.07 2v7nD1 SER 197 H -0.02 -0.02 0.20 -0.55 8.46 8.07 2v7nD1 SER 197 HA -0.06 0.06 0.52 -0.75 4.49 4.25 2v7nD1 SER 197 HB2 -0.03 0.01 0.16 -0.04 3.95 4.06 2v7nD1 SER 197 HB3 -0.04 0.01 0.18 -0.04 3.93 4.04 2v7nD1 GLY 198 H -0.12 0.13 0.23 -0.55 8.43 8.12 2v7nD1 GLY 198 HA2 -0.20 -0.00 0.35 -0.51 4.01 3.65 2v7nD1 GLY 198 HA3 -0.16 0.12 0.42 -0.51 4.01 3.87 2v7nD1 VAL 199 H -0.19 0.31 -0.38 -0.55 8.24 7.42 2v7nD1 VAL 199 HA -0.26 0.19 0.68 -0.75 4.13 3.98 2v7nD1 VAL 199 HB -0.06 0.06 0.09 -0.04 2.12 2.18 2v7nD1 VAL 199 HG13 0.14 -0.03 -0.20 -0.04 0.97 0.83 2v7nD1 VAL 199 HG23 -0.15 0.02 -0.27 -0.04 0.95 0.51 2v7nD1 HIS 200 H -0.08 0.81 0.35 -0.55 8.41 8.94 2v7nD1 HIS 200 HA -0.15 0.21 0.91 -0.75 4.63 4.85 2v7nD1 HIS 200 HB2 -0.28 -0.06 0.14 -0.04 3.26 3.02 2v7nD1 HIS 200 HB3 -0.62 -0.00 -0.05 -0.04 3.20 2.48 2v7nD1 HIS 200 HD2 -0.06 -0.03 -0.10 -0.04 6.97 6.73 2v7nD1 HIS 200 HE1 -0.06 -0.04 -0.04 -0.04 7.75 7.56 2v7nD1 THR 201 H -0.01 0.22 0.05 -0.55 8.28 7.99 2v7nD1 THR 201 HA 0.11 0.13 1.16 -0.75 4.39 5.03 2v7nD1 THR 201 HB 0.04 -0.01 0.18 -0.04 4.32 4.49 2v7nD1 THR 201 HG23 0.08 0.02 -0.09 -0.04 1.22 1.19 2v7nD1 PHE 202 H 0.30 0.62 0.33 -0.55 8.34 9.04 2v7nD1 PHE 202 HA 0.06 0.07 0.42 -0.75 4.62 4.41 2v7nD1 PHE 202 HB2 0.08 -0.09 0.23 -0.04 3.15 3.32 2v7nD1 PHE 202 HB3 0.06 0.11 0.08 -0.04 3.06 3.27 2v7nD1 PHE 202 HD2 0.06 0.11 0.01 -0.04 7.28 7.41 2v7nD1 PHE 202 HE2 0.02 -0.03 -0.05 -0.04 7.38 7.28 2v7nD1 PHE 202 HZ -0.01 -0.02 -0.05 -0.04 7.32 7.20 2v7nD1 PRO 203 HA 0.10 0.01 0.61 -0.51 4.44 4.64 2v7nD1 PRO 203 HB2 0.11 0.05 0.05 -0.04 2.28 2.45 2v7nD1 PRO 203 HB3 0.08 0.00 0.13 -0.04 2.02 2.19 2v7nD1 PRO 203 HG2 0.10 0.02 0.10 -0.04 2.03 2.21 2v7nD1 PRO 203 HG3 0.07 0.05 0.12 -0.04 2.03 2.23 2v7nD1 PRO 203 HD2 0.28 0.06 0.23 -0.04 3.68 4.20 2v7nD1 PRO 203 HD3 0.10 0.16 0.23 -0.04 3.65 4.10 2v7nD1 ALA 204 H 0.09 0.03 0.16 -0.55 8.40 8.14 2v7nD1 ALA 204 HA 0.17 0.18 0.43 -0.75 4.34 4.36 2v7nD1 ALA 204 HB3 0.12 -0.04 -0.00 -0.04 1.41 1.45 2v7nD1 VAL 205 H 0.15 0.64 0.40 -0.55 8.24 8.89 2v7nD1 VAL 205 HA 0.13 0.17 0.91 -0.75 4.13 4.58 2v7nD1 VAL 205 HB 0.06 -0.03 0.11 -0.04 2.12 2.21 2v7nD1 VAL 205 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.76 2v7nD1 VAL 205 HG23 0.06 0.04 -0.08 -0.04 0.95 0.92 2v7nD1 LEU 206 H 0.06 0.18 0.06 -0.55 8.37 8.13 2v7nD1 LEU 206 HA -0.38 0.07 0.58 -0.75 4.35 3.87 2v7nD1 LEU 206 HB2 -0.17 -0.03 0.03 -0.04 1.64 1.43 2v7nD1 LEU 206 HB3 -0.08 -0.01 0.12 -0.04 1.64 1.63 2v7nD1 LEU 206 HG -0.22 0.11 -0.18 -0.04 1.64 1.32 2v7nD1 LEU 206 HD13 -0.77 0.02 -0.29 -0.04 0.93 -0.15 2v7nD1 LEU 206 HD23 -0.09 -0.01 -0.03 -0.04 0.89 0.72 2v7nD1 GLN 207 H -0.16 0.77 0.31 -0.55 8.47 8.85 2v7nD1 GLN 207 HA -0.05 0.13 0.47 -0.75 4.36 4.16 2v7nD1 GLN 207 HB2 -0.08 -0.04 0.13 -0.04 2.15 2.12 2v7nD1 GLN 207 HB3 -0.04 -0.11 0.15 -0.04 2.02 1.98 2v7nD1 GLN 207 HG2 -0.01 -0.01 -0.02 -0.04 2.40 2.31 2v7nD1 GLN 207 HG3 -0.04 0.13 0.05 -0.04 2.39 2.49 2v7nD1 GLN 207 HE21 -0.01 -0.06 -0.09 -0.04 6.97 6.77 2v7nD1 GLN 207 HE22 -0.07 0.25 -0.41 -0.04 7.69 7.42 2v7nD1 SER 208 H -0.04 0.17 0.16 -0.55 8.46 8.20 2v7nD1 SER 208 HA -0.05 0.15 0.39 -0.75 4.49 4.22 2v7nD1 SER 208 HB2 -0.03 0.04 0.13 -0.04 3.95 4.04 2v7nD1 SER 208 HB3 -0.03 0.03 0.12 -0.04 3.93 4.01 2v7nD1 SER 209 H -0.07 -0.01 -0.47 -0.55 8.46 7.36 2v7nD1 SER 209 HA -0.07 0.19 0.69 -0.75 4.49 4.54 2v7nD1 SER 209 HB2 -0.06 0.07 0.07 -0.04 3.95 3.98 2v7nD1 SER 209 HB3 -0.05 -0.00 0.03 -0.04 3.93 3.87 2v7nD1 GLY 210 H -0.13 0.57 -0.24 -0.55 8.43 8.08 2v7nD1 GLY 210 HA2 -0.21 0.03 0.26 -0.51 4.01 3.58 2v7nD1 GLY 210 HA3 -0.22 0.10 0.64 -0.51 4.01 4.02 2v7nD1 LEU 211 H -0.16 -0.10 -0.32 -0.55 8.37 7.24 2v7nD1 LEU 211 HA -0.16 0.29 0.87 -0.75 4.35 4.59 2v7nD1 LEU 211 HB2 -0.08 -0.13 -0.04 -0.04 1.64 1.35 2v7nD1 LEU 211 HB3 -0.06 0.10 -0.04 -0.04 1.64 1.59 2v7nD1 LEU 211 HG -0.10 -0.08 -0.23 -0.04 1.64 1.19 2v7nD1 LEU 211 HD13 -0.02 0.02 -0.07 -0.04 0.93 0.82 2v7nD1 LEU 211 HD23 -0.13 0.04 -0.30 -0.04 0.89 0.46 2v7nD1 TYR 212 H -0.10 0.66 0.25 -0.55 8.29 8.55 2v7nD1 TYR 212 HA -0.15 0.22 0.80 -0.75 4.56 4.68 2v7nD1 TYR 212 HB2 -1.25 0.09 -0.07 -0.04 3.06 1.79 2v7nD1 TYR 212 HB3 -0.57 -0.04 -0.10 -0.04 2.98 2.23 2v7nD1 TYR 212 HD2 -0.03 0.07 -0.31 -0.04 7.15 6.84 2v7nD1 TYR 212 HE2 0.04 -0.01 -0.09 -0.04 6.85 6.74 2v7nD1 SER 213 H 0.09 0.48 0.38 -0.55 8.46 8.86 2v7nD1 SER 213 HA 0.14 0.22 0.85 -0.75 4.49 4.94 2v7nD1 SER 213 HB2 0.04 -0.05 -0.05 -0.04 3.95 3.85 2v7nD1 SER 213 HB3 0.06 -0.02 0.05 -0.04 3.93 3.98 2v7nD1 LEU 214 H 0.22 0.94 0.39 -0.55 8.37 9.37 2v7nD1 LEU 214 HA 0.16 0.13 0.71 -0.75 4.35 4.60 2v7nD1 LEU 214 HB2 0.21 0.06 -0.10 -0.04 1.64 1.77 2v7nD1 LEU 214 HB3 0.29 -0.07 -0.11 -0.04 1.64 1.70 2v7nD1 LEU 214 HG 0.16 0.17 -0.14 -0.04 1.64 1.79 2v7nD1 LEU 214 HD13 0.07 -0.02 -0.09 -0.04 0.93 0.84 2v7nD1 LEU 214 HD23 0.05 -0.04 -0.33 -0.04 0.89 0.53 2v7nD1 SER 215 H 0.21 0.25 0.19 -0.55 8.46 8.56 2v7nD1 SER 215 HA 0.16 0.27 1.11 -0.75 4.49 5.28 2v7nD1 SER 215 HB2 0.07 -0.03 0.07 -0.04 3.95 4.01 2v7nD1 SER 215 HB3 0.20 0.04 -0.07 -0.04 3.93 4.06 2v7nD1 SER 216 H 0.23 0.72 0.35 -0.55 8.46 9.22 2v7nD1 SER 216 HA 0.28 0.24 1.02 -0.75 4.49 5.27 2v7nD1 SER 216 HB2 0.16 -0.01 0.01 -0.04 3.95 4.07 2v7nD1 SER 216 HB3 0.23 -0.05 0.12 -0.04 3.93 4.19 2v7nD1 VAL 217 H 0.22 0.69 0.32 -0.55 8.24 8.92 2v7nD1 VAL 217 HA 0.13 0.27 1.11 -0.75 4.13 4.89 2v7nD1 VAL 217 HB 0.10 0.02 0.03 -0.04 2.12 2.22 2v7nD1 VAL 217 HG13 0.26 -0.03 -0.29 -0.04 0.97 0.86 2v7nD1 VAL 217 HG23 0.25 0.04 0.00 -0.04 0.95 1.20 2v7nD1 VAL 218 H -0.22 0.63 0.39 -0.55 8.24 8.49 2v7nD1 VAL 218 HA -0.30 0.27 0.92 -0.75 4.13 4.27 2v7nD1 VAL 218 HB -0.71 -0.05 -0.16 -0.04 2.12 1.16 2v7nD1 VAL 218 HG13 -0.40 0.02 -0.21 -0.04 0.97 0.35 2v7nD1 VAL 218 HG23 -1.57 0.01 -0.34 -0.04 0.95 -1.00 2v7nD1 THR 219 H -0.20 0.34 0.17 -0.55 8.28 8.04 2v7nD1 THR 219 HA -0.14 0.30 1.13 -0.75 4.39 4.93 2v7nD1 THR 219 HB -0.07 -0.03 -0.05 -0.04 4.32 4.13 2v7nD1 THR 219 HG23 -0.03 -0.01 -0.13 -0.04 1.22 1.01 2v7nD1 VAL 220 H -0.14 0.75 0.36 -0.55 8.24 8.66 2v7nD1 VAL 220 HA -0.08 0.16 0.78 -0.75 4.13 4.24 2v7nD1 VAL 220 HB -0.02 0.00 0.03 -0.04 2.12 2.09 2v7nD1 VAL 220 HG13 -0.32 -0.01 -0.33 -0.04 0.97 0.27 2v7nD1 VAL 220 HG23 -0.32 0.02 -0.19 -0.04 0.95 0.42 2v7nD1 PRO 221 HA -0.01 0.57 0.76 -0.51 4.44 5.24 2v7nD1 PRO 221 HB2 0.02 -0.21 0.06 -0.04 2.28 2.10 2v7nD1 PRO 221 HB3 0.00 0.11 0.19 -0.04 2.02 2.28 2v7nD1 PRO 221 HG2 0.02 0.04 0.09 -0.04 2.03 2.14 2v7nD1 PRO 221 HG3 -0.00 0.09 0.12 -0.04 2.03 2.19 2v7nD1 PRO 221 HD2 0.04 0.10 0.20 -0.04 3.68 3.97 2v7nD1 PRO 221 HD3 -0.01 0.19 0.23 -0.04 3.65 4.02 2v7nD1 SER 222 H -0.01 0.30 -0.17 -0.55 8.46 8.03 2v7nD1 SER 222 HA -0.00 0.12 0.32 -0.75 4.49 4.17 2v7nD1 SER 222 HB2 0.00 0.04 -0.14 -0.04 3.95 3.81 2v7nD1 SER 222 HB3 -0.00 0.06 -0.32 -0.04 3.93 3.63 2v7nD1 SER 223 H 0.01 0.10 -0.28 -0.55 8.46 7.75 2v7nD1 SER 223 HA 0.02 0.09 0.44 -0.75 4.49 4.28 2v7nD1 SER 223 HB2 0.01 0.04 0.05 -0.04 3.95 4.01 2v7nD1 SER 223 HB3 0.01 0.00 0.07 -0.04 3.93 3.97 2v7nD1 SER 224 H 0.04 0.56 -0.45 -0.55 8.46 8.06 2v7nD1 SER 224 HA 0.05 0.05 0.55 -0.75 4.49 4.39 2v7nD1 SER 224 HB2 0.31 0.03 -0.05 -0.04 3.95 4.19 2v7nD1 SER 224 HB3 0.11 -0.05 0.08 -0.04 3.93 4.04 2v7nD1 LEU 225 H 0.06 0.40 -0.34 -0.55 8.37 7.94 2v7nD1 LEU 225 HA 0.15 0.11 0.32 -0.75 4.35 4.17 2v7nD1 LEU 225 HB2 0.04 0.10 0.13 -0.04 1.64 1.86 2v7nD1 LEU 225 HB3 0.05 -0.01 0.04 -0.04 1.64 1.67 2v7nD1 LEU 225 HG 0.02 0.02 0.07 -0.04 1.64 1.72 2v7nD1 LEU 225 HD13 0.01 -0.02 0.02 -0.04 0.93 0.89 2v7nD1 LEU 225 HD23 0.04 -0.00 -0.08 -0.04 0.89 0.80 2v7nD1 GLY 226 H 0.03 0.15 -0.21 -0.55 8.43 7.85 2v7nD1 GLY 226 HA2 0.03 0.20 0.75 -0.51 4.01 4.47 2v7nD1 GLY 226 HA3 0.02 -0.04 0.31 -0.51 4.01 3.79 2v7nD1 THR 227 H 0.02 0.33 -0.43 -0.55 8.28 7.65 2v7nD1 THR 227 HA -0.01 0.17 0.95 -0.75 4.39 4.75 2v7nD1 THR 227 HB -0.01 -0.03 0.08 -0.04 4.32 4.32 2v7nD1 THR 227 HG23 -0.01 -0.02 -0.01 -0.04 1.22 1.14 2v7nD1 GLN 228 H -0.02 0.47 0.21 -0.55 8.47 8.58 2v7nD1 GLN 228 HA -0.15 0.04 0.58 -0.75 4.36 4.08 2v7nD1 GLN 228 HB2 -0.12 -0.07 0.06 -0.04 2.15 1.98 2v7nD1 GLN 228 HB3 -0.23 0.04 0.10 -0.04 2.02 1.90 2v7nD1 GLN 228 HG2 -0.39 -0.06 -0.07 -0.04 2.40 1.84 2v7nD1 GLN 228 HG3 -0.99 0.13 -0.33 -0.04 2.39 1.16 2v7nD1 GLN 228 HE21 -0.07 -0.02 0.00 -0.04 6.97 6.84 2v7nD1 GLN 228 HE22 -0.09 -0.03 -0.01 -0.04 7.69 7.52 2v7nD1 THR 229 H -0.19 0.09 0.17 -0.55 8.28 7.81 2v7nD1 THR 229 HA -0.08 0.17 0.68 -0.75 4.39 4.41 2v7nD1 THR 229 HB -0.07 -0.04 0.13 -0.04 4.32 4.29 2v7nD1 THR 229 HG23 0.01 -0.03 -0.23 -0.04 1.22 0.94 2v7nD1 TYR 230 H 0.14 0.28 0.14 -0.55 8.29 8.30 2v7nD1 TYR 230 HA 0.17 0.11 1.00 -0.75 4.56 5.09 2v7nD1 TYR 230 HB2 0.11 0.22 0.17 -0.04 3.06 3.52 2v7nD1 TYR 230 HB3 0.22 -0.05 -0.06 -0.04 2.98 3.05 2v7nD1 TYR 230 HD2 0.02 0.02 -0.08 -0.04 7.15 7.07 2v7nD1 TYR 230 HE2 -0.05 -0.00 -0.19 -0.04 6.85 6.57 2v7nD1 ILE 231 H 0.38 0.17 0.12 -0.55 8.25 8.37 2v7nD1 ILE 231 HA 0.13 0.36 0.95 -0.75 4.18 4.87 2v7nD1 ILE 231 HB 0.07 -0.11 0.01 -0.04 1.89 1.82 2v7nD1 ILE 231 HG12 0.06 0.03 -0.23 -0.04 1.49 1.31 2v7nD1 ILE 231 HG13 0.09 -0.07 -0.62 -0.04 1.21 0.57 2v7nD1 ILE 231 HG23 -0.03 -0.01 -0.39 -0.04 0.93 0.46 2v7nD1 ILE 231 HD13 0.02 0.01 -0.15 -0.04 0.88 0.72 2v7nD1 CYS 232 H -0.27 0.55 0.23 -0.55 8.50 8.46 2v7nD1 CYS 232 HA -0.97 0.22 1.12 -0.75 4.58 4.20 2v7nD1 CYS 232 HB2 -1.33 0.08 0.00 -0.04 2.97 1.68 2v7nD1 CYS 232 HB3 -2.41 -0.01 -0.03 -0.04 2.97 0.48 2v7nD1 ASN 233 H -0.38 0.69 0.27 -0.55 8.53 8.57 2v7nD1 ASN 233 HA -0.16 0.23 1.00 -0.75 4.76 5.07 2v7nD1 ASN 233 HB2 -0.11 -0.08 0.05 -0.04 2.88 2.70 2v7nD1 ASN 233 HB3 -0.09 0.08 -0.01 -0.04 2.79 2.73 2v7nD1 ASN 233 HD21 -0.04 -0.06 -0.18 -0.04 7.03 6.72 2v7nD1 ASN 233 HD22 -0.07 0.11 -0.17 -0.04 7.74 7.57 2v7nD1 VAL 234 H -0.14 0.99 0.40 -0.55 8.24 8.95 2v7nD1 VAL 234 HA -0.15 0.33 1.00 -0.75 4.13 4.56 2v7nD1 VAL 234 HB -0.13 -0.02 0.08 -0.04 2.12 2.00 2v7nD1 VAL 234 HG13 -0.16 -0.00 -0.21 -0.04 0.97 0.56 2v7nD1 VAL 234 HG23 -0.20 -0.00 -0.26 -0.04 0.95 0.45 2v7nD1 ASN 235 H -0.10 0.56 0.35 -0.55 8.53 8.79 2v7nD1 ASN 235 HA -0.05 0.35 1.07 -0.75 4.76 5.38 2v7nD1 ASN 235 HB2 -0.06 -0.01 -0.11 -0.04 2.88 2.66 2v7nD1 ASN 235 HB3 -0.06 -0.08 0.13 -0.04 2.79 2.74 2v7nD1 ASN 235 HD21 -0.04 0.01 -0.10 -0.04 7.03 6.86 2v7nD1 ASN 235 HD22 -0.04 -0.02 -0.07 -0.04 7.74 7.57 2v7nD1 HIS 236 H 0.02 0.99 0.24 -0.55 8.41 9.11 2v7nD1 HIS 236 HA -0.12 0.25 1.02 -0.75 4.63 5.03 2v7nD1 HIS 236 HB2 -0.14 0.01 -0.01 -0.04 3.26 3.08 2v7nD1 HIS 236 HB3 -0.05 -0.08 0.21 -0.04 3.20 3.23 2v7nD1 HIS 236 HD2 -0.12 0.30 0.02 -0.04 6.97 7.12 2v7nD1 HIS 236 HE1 0.11 0.28 -0.26 -0.04 7.75 7.83 2v7nD1 LYS 237 H -0.12 0.24 -0.01 -0.55 8.42 7.98 2v7nD1 LYS 237 HA -0.10 0.01 0.49 -0.75 4.32 3.96 2v7nD1 LYS 237 HB2 -0.10 0.06 0.11 -0.04 1.87 1.89 2v7nD1 LYS 237 HB3 -0.09 0.04 -0.03 -0.04 1.79 1.67 2v7nD1 LYS 237 HG2 -0.05 0.02 -0.01 -0.04 1.46 1.38 2v7nD1 LYS 237 HG3 -0.06 -0.04 -0.05 -0.04 1.46 1.27 2v7nD1 LYS 237 HD2 -0.05 -0.03 -0.09 -0.04 1.69 1.48 2v7nD1 LYS 237 HD3 -0.05 0.04 -0.03 -0.04 1.68 1.60 2v7nD1 LYS 237 HE2 -0.04 0.00 -0.05 -0.04 2.99 2.86 2v7nD1 LYS 237 HE3 -0.04 -0.01 -0.06 -0.04 2.99 2.84 2v7nD1 PRO 238 HA -0.16 0.05 0.48 -0.51 4.44 4.30 2v7nD1 PRO 238 HB2 -0.75 0.06 -0.15 -0.04 2.28 1.41 2v7nD1 PRO 238 HB3 -0.18 0.02 0.06 -0.04 2.02 1.88 2v7nD1 PRO 238 HG2 -0.24 0.23 -0.20 -0.04 2.03 1.78 2v7nD1 PRO 238 HG3 -0.18 0.00 0.03 -0.04 2.03 1.84 2v7nD1 PRO 238 HD2 -0.57 0.06 -0.04 -0.04 3.68 3.09 2v7nD1 PRO 238 HD3 -0.21 0.05 0.08 -0.04 3.65 3.54 2v7nD1 SER 239 H -0.34 0.28 -0.51 -0.55 8.46 7.34 2v7nD1 SER 239 HA -0.00 0.24 0.92 -0.75 4.49 4.89 2v7nD1 SER 239 HB2 0.10 -0.03 0.05 -0.04 3.95 4.03 2v7nD1 SER 239 HB3 0.19 0.02 -0.31 -0.04 3.93 3.79 2v7nD1 ASN 240 H -0.10 0.44 -0.14 -0.55 8.53 8.18 2v7nD1 ASN 240 HA -0.05 -0.04 0.33 -0.75 4.76 4.25 2v7nD1 ASN 240 HB2 -0.02 0.10 -0.31 -0.04 2.88 2.61 2v7nD1 ASN 240 HB3 -0.02 -0.06 0.26 -0.04 2.79 2.93 2v7nD1 ASN 240 HD21 -0.03 -0.05 -0.02 -0.04 7.03 6.89 2v7nD1 ASN 240 HD22 -0.03 0.03 -0.14 -0.04 7.74 7.56 2v7nD1 THR 241 H -0.00 0.61 -0.05 -0.55 8.28 8.29 2v7nD1 THR 241 HA 0.00 0.21 0.77 -0.75 4.39 4.62 2v7nD1 THR 241 HB 0.12 -0.06 0.12 -0.04 4.32 4.45 2v7nD1 THR 241 HG23 -0.00 -0.00 -0.27 -0.04 1.22 0.91 2v7nD1 LYS 242 H -0.02 0.28 0.19 -0.55 8.42 8.31 2v7nD1 LYS 242 HA -0.04 0.26 1.05 -0.75 4.32 4.83 2v7nD1 LYS 242 HB2 -0.03 -0.01 -0.09 -0.04 1.87 1.70 2v7nD1 LYS 242 HB3 -0.03 0.01 0.11 -0.04 1.79 1.85 2v7nD1 LYS 242 HG2 -0.03 -0.04 -0.12 -0.04 1.46 1.23 2v7nD1 LYS 242 HG3 -0.05 0.07 -0.21 -0.04 1.46 1.24 2v7nD1 LYS 242 HD2 -0.04 -0.04 -0.11 -0.04 1.69 1.46 2v7nD1 LYS 242 HD3 -0.04 -0.00 -0.07 -0.04 1.68 1.53 2v7nD1 LYS 242 HE2 -0.02 0.01 -0.05 -0.04 2.99 2.88 2v7nD1 LYS 242 HE3 -0.03 -0.02 -0.07 -0.04 2.99 2.83 2v7nD1 VAL 243 H -0.07 0.90 0.36 -0.55 8.24 8.88 2v7nD1 VAL 243 HA -0.05 0.18 0.97 -0.75 4.13 4.48 2v7nD1 VAL 243 HB -0.09 -0.03 -0.02 -0.04 2.12 1.94 2v7nD1 VAL 243 HG13 -0.10 -0.02 -0.25 -0.04 0.97 0.57 2v7nD1 VAL 243 HG23 -0.06 0.01 -0.12 -0.04 0.95 0.74 2v7nD1 ASP 244 H -0.05 0.26 0.15 -0.55 8.40 8.21 2v7nD1 ASP 244 HA -0.10 0.28 0.93 -0.75 4.63 4.98 2v7nD1 ASP 244 HB2 -0.03 0.01 0.11 -0.04 2.71 2.75 2v7nD1 ASP 244 HB3 -0.04 -0.01 -0.05 -0.04 2.70 2.55 2v7nD1 LYS 245 H -0.12 0.64 0.21 -0.55 8.42 8.59 2v7nD1 LYS 245 HA -0.02 0.19 1.07 -0.75 4.32 4.80 2v7nD1 LYS 245 HB2 -0.08 -0.03 -0.17 -0.04 1.87 1.55 2v7nD1 LYS 245 HB3 -0.07 -0.06 -0.01 -0.04 1.79 1.60 2v7nD1 LYS 245 HG2 -0.00 0.04 -0.29 -0.04 1.46 1.16 2v7nD1 LYS 245 HG3 0.03 0.07 -0.20 -0.04 1.46 1.32 2v7nD1 LYS 245 HD2 0.03 -0.00 0.09 -0.04 1.69 1.76 2v7nD1 LYS 245 HD3 -0.01 0.03 0.14 -0.04 1.68 1.79 2v7nD1 LYS 245 HE2 -0.05 0.40 0.11 -0.04 2.99 3.41 2v7nD1 LYS 245 HE3 0.04 -0.05 0.11 -0.04 2.99 3.05 2v7nD1 LYS 246 H 0.03 0.17 0.14 -0.55 8.42 8.20 2v7nD1 LYS 246 HA 0.10 0.14 0.74 -0.75 4.32 4.54 2v7nD1 LYS 246 HB2 0.04 -0.04 0.08 -0.04 1.87 1.91 2v7nD1 LYS 246 HB3 0.06 -0.00 0.09 -0.04 1.79 1.90 2v7nD1 LYS 246 HG2 0.10 0.13 -0.06 -0.04 1.46 1.58 2v7nD1 LYS 246 HG3 0.07 -0.07 -0.09 -0.04 1.46 1.33 2v7nD1 LYS 246 HD2 0.04 -0.03 -0.04 -0.04 1.69 1.61 2v7nD1 LYS 246 HD3 0.05 -0.00 -0.06 -0.04 1.68 1.62 2v7nD1 LYS 246 HE2 0.05 0.04 -0.08 -0.04 2.99 2.97 2v7nD1 LYS 246 HE3 0.06 -0.05 -0.05 -0.04 2.99 2.90 2v7nD1 VAL 247 H 0.22 0.77 0.37 -0.55 8.24 9.05 2v7nD1 VAL 247 HA 0.13 0.12 0.95 -0.75 4.13 4.58 2v7nD1 VAL 247 HB 0.34 -0.04 0.12 -0.04 2.12 2.50 2v7nD1 VAL 247 HG13 0.15 -0.03 -0.12 -0.04 0.97 0.92 2v7nD1 VAL 247 HG23 0.27 0.04 -0.10 -0.04 0.95 1.12 2v7nD1 GLU 248 H 0.09 0.21 0.15 -0.55 8.60 8.51 2v7nD1 GLU 248 HA 0.11 0.27 1.10 -0.75 4.29 5.01 2v7nD1 GLU 248 HB2 0.06 0.16 -0.09 -0.04 2.09 2.17 2v7nD1 GLU 248 HB3 0.07 0.03 0.07 -0.04 1.99 2.13 2v7nD1 GLU 248 HG2 0.07 -0.05 -0.21 -0.04 2.34 2.12 2v7nD1 GLU 248 HG3 0.07 -0.01 -0.04 -0.04 2.34 2.31 2v7nD1 PRO 249 HA 0.03 0.21 0.28 -0.51 4.44 4.45 2v7nD1 PRO 249 HB2 0.03 -0.01 0.05 -0.04 2.28 2.32 2v7nD1 PRO 249 HB3 0.03 0.07 0.06 -0.04 2.02 2.14 2v7nD1 PRO 249 HG2 0.05 0.05 0.06 -0.04 2.03 2.14 2v7nD1 PRO 249 HG3 0.04 0.01 0.06 -0.04 2.03 2.10 2v7nD1 PRO 249 HD2 0.07 0.12 0.18 -0.04 3.68 4.00 2v7nD1 PRO 249 HD3 0.09 0.20 0.22 -0.04 3.65 4.12