============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 3 1.000 65.434 15.335 59.769 -99.200 -91.000 PHE 6 1.000 52.774 22.408 50.362 -99.200 -91.000 PHE 7 1.000 57.823 29.122 51.482 -99.200 -91.000 PHE 12 1.000 55.229 40.660 49.154 -99.200 -91.000 HIS 15 0.900 51.686 42.281 49.658 -99.200 -91.000 PHE 16 1.000 49.690 48.089 43.528 -99.200 -91.000 TYR 21 0.840 68.651 41.405 46.442 -99.200 -91.000 TYR 28 0.840 76.434 47.297 51.709 -99.200 -91.000 PHE 31 1.000 65.824 46.924 44.751 -99.200 -91.000 HIS 34 0.900 66.148 51.408 36.541 -99.200 -91.000 TYR 37 0.840 60.135 39.825 33.687 -99.200 -91.000 HIS 39 0.900 54.054 37.688 35.010 -99.200 -91.000 TRP 43 1.040 59.669 29.669 40.361 -99.200 -91.000 TRP6 43 1.020 61.112 29.803 42.273 -99.200 -91.000 PHE 46 1.000 69.179 38.375 37.921 -99.200 -91.000 HIS 51 0.900 74.750 40.063 45.526 -99.200 -91.000 HIS 80 0.900 69.147 27.693 38.550 -99.200 -91.000 PHE 82 1.000 69.448 30.325 27.250 -99.200 -91.000 PHE 94 1.000 72.087 36.940 34.825 -99.200 -91.000 PHE 97 1.000 68.407 27.950 43.439 -99.200 -91.000 PHE 103 1.000 60.718 44.288 48.890 -99.200 -91.000 HIS 116 0.900 51.138 62.043 74.070 -99.200 -91.000 HIS 119 0.900 54.770 72.488 76.449 -99.200 -91.000 HIS 120 0.900 55.840 71.536 84.870 -99.200 -91.000 HIS 121 0.900 59.775 73.901 78.125 -99.200 -91.000 HIS 122 0.900 58.382 78.840 86.230 -99.200 -91.000 HIS 123 0.900 63.935 72.702 88.240 -99.200 -91.000 HIS 124 0.900 64.422 79.797 90.062 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kv1A17 MET 1 HA 0.03 -0.06 0.21 -0.75 4.52 3.95 2kv1A17 MET 1 HB2 0.01 -0.02 0.08 -0.04 2.15 2.19 2kv1A17 MET 1 HB3 0.02 -0.01 0.07 -0.04 2.03 2.07 2kv1A17 MET 1 HG2 0.00 -0.01 0.11 -0.04 2.63 2.70 2kv1A17 MET 1 HG3 0.01 -0.01 0.05 -0.04 2.56 2.57 2kv1A17 MET 1 HE3 0.01 -0.00 0.01 -0.04 2.10 2.08 2kv1A17 SER 2 H 0.05 0.33 0.15 -0.55 8.46 8.45 2kv1A17 SER 2 HA -0.11 0.02 0.62 -0.75 4.49 4.26 2kv1A17 SER 2 HB2 -0.19 -0.05 -0.03 -0.04 3.95 3.64 2kv1A17 SER 2 HB3 -0.07 0.12 -0.15 -0.04 3.93 3.79 2kv1A17 PHE 3 H -0.41 0.14 0.14 -0.55 8.34 7.65 2kv1A17 PHE 3 HA 0.03 0.04 0.32 -0.75 4.62 4.26 2kv1A17 PHE 3 HB2 0.02 0.12 -0.08 -0.04 3.15 3.16 2kv1A17 PHE 3 HB3 0.02 0.01 0.16 -0.04 3.06 3.21 2kv1A17 PHE 3 HD2 0.02 0.03 -0.10 -0.04 7.28 7.19 2kv1A17 PHE 3 HE2 0.01 0.01 -0.01 -0.04 7.38 7.34 2kv1A17 PHE 3 HZ 0.01 -0.00 -0.00 -0.04 7.32 7.28 2kv1A17 CYS 4 H 0.06 -0.04 -0.35 -0.55 8.50 7.62 2kv1A17 CYS 4 HA 0.11 0.10 0.53 -0.75 4.58 4.56 2kv1A17 CYS 4 HB2 0.08 -0.00 -0.00 -0.04 2.97 3.01 2kv1A17 CYS 4 HB3 0.06 0.03 0.02 -0.04 2.97 3.04 2kv1A17 SER 5 H 0.13 0.29 0.20 -0.55 8.46 8.53 2kv1A17 SER 5 HA 0.14 -0.02 0.45 -0.75 4.49 4.31 2kv1A17 SER 5 HB2 0.12 0.03 -0.04 -0.04 3.95 4.02 2kv1A17 SER 5 HB3 0.14 0.02 0.05 -0.04 3.93 4.10 2kv1A17 PHE 6 H 0.26 0.10 0.13 -0.55 8.34 8.27 2kv1A17 PHE 6 HA 0.11 0.15 0.57 -0.75 4.62 4.70 2kv1A17 PHE 6 HB2 0.06 -0.00 0.02 -0.04 3.15 3.18 2kv1A17 PHE 6 HB3 0.05 0.01 0.05 -0.04 3.06 3.13 2kv1A17 PHE 6 HD2 0.05 -0.01 -0.07 -0.04 7.28 7.20 2kv1A17 PHE 6 HE2 0.04 0.01 -0.01 -0.04 7.38 7.38 2kv1A17 PHE 6 HZ 0.04 -0.01 0.04 -0.04 7.32 7.36 2kv1A17 PHE 7 H -1.03 0.27 0.18 -0.55 8.34 7.20 2kv1A17 PHE 7 HA -0.04 0.06 0.47 -0.75 4.62 4.36 2kv1A17 PHE 7 HB2 -0.09 0.14 -0.19 -0.04 3.15 2.97 2kv1A17 PHE 7 HB3 -0.20 -0.00 0.02 -0.04 3.06 2.83 2kv1A17 PHE 7 HD2 -0.07 0.07 -0.06 -0.04 7.28 7.18 2kv1A17 PHE 7 HE2 -0.04 0.01 0.01 -0.04 7.38 7.32 2kv1A17 PHE 7 HZ -0.03 0.04 0.01 -0.04 7.32 7.30 2kv1A17 GLY 8 H -0.58 0.09 0.06 -0.55 8.43 7.46 2kv1A17 GLY 8 HA2 -0.07 -0.02 0.38 -0.51 4.01 3.80 2kv1A17 GLY 8 HA3 -0.01 0.20 0.72 -0.51 4.01 4.41 2kv1A17 GLY 9 H -0.31 0.05 0.15 -0.55 8.43 7.78 2kv1A17 GLY 9 HA2 -0.05 0.23 0.67 -0.51 4.01 4.35 2kv1A17 GLY 9 HA3 -0.12 0.04 0.33 -0.51 4.01 3.75 2kv1A17 GLU 10 H -0.07 0.03 0.10 -0.55 8.60 8.11 2kv1A17 GLU 10 HA 0.03 0.15 0.73 -0.75 4.29 4.44 2kv1A17 GLU 10 HB2 0.01 0.03 0.11 -0.04 2.09 2.20 2kv1A17 GLU 10 HB3 0.09 -0.07 0.03 -0.04 1.99 2.01 2kv1A17 GLU 10 HG2 0.10 0.07 0.04 -0.04 2.34 2.51 2kv1A17 GLU 10 HG3 0.06 0.08 0.05 -0.04 2.34 2.48 2kv1A17 VAL 11 H 0.10 0.19 0.19 -0.55 8.24 8.17 2kv1A17 VAL 11 HA -0.05 0.18 0.45 -0.75 4.13 3.96 2kv1A17 VAL 11 HB 0.03 0.00 0.10 -0.04 2.12 2.21 2kv1A17 VAL 11 HG13 -0.09 0.00 0.01 -0.04 0.97 0.86 2kv1A17 VAL 11 HG23 0.02 0.03 0.01 -0.04 0.95 0.97 2kv1A17 PHE 12 H 0.13 0.05 -0.19 -0.55 8.34 7.78 2kv1A17 PHE 12 HA -0.69 0.02 -0.13 -0.75 4.62 3.06 2kv1A17 PHE 12 HB2 -0.06 -0.06 0.08 -0.04 3.15 3.07 2kv1A17 PHE 12 HB3 -0.09 0.11 0.01 -0.04 3.06 3.05 2kv1A17 PHE 12 HD2 0.05 -0.01 0.05 -0.04 7.28 7.33 2kv1A17 PHE 12 HE2 0.07 0.03 -0.03 -0.04 7.38 7.41 2kv1A17 PHE 12 HZ 0.15 0.04 -0.05 -0.04 7.32 7.42 2kv1A17 GLN 13 H -0.11 0.34 0.06 -0.55 8.47 8.21 2kv1A17 GLN 13 HA -0.03 0.05 0.29 -0.75 4.36 3.92 2kv1A17 GLN 13 HB2 -0.07 0.04 0.10 -0.04 2.15 2.18 2kv1A17 GLN 13 HB3 -0.05 0.03 0.02 -0.04 2.02 1.98 2kv1A17 GLN 13 HG2 -0.04 0.08 -0.03 -0.04 2.40 2.37 2kv1A17 GLN 13 HG3 -0.04 -0.08 -0.06 -0.04 2.39 2.18 2kv1A17 GLN 13 HE21 -0.04 0.02 -0.04 -0.04 6.97 6.88 2kv1A17 GLN 13 HE22 -0.02 -0.01 -0.01 -0.04 7.69 7.61 2kv1A17 ASN 14 H -0.24 0.12 -0.26 -0.55 8.53 7.60 2kv1A17 ASN 14 HA 0.06 0.18 0.66 -0.75 4.76 4.91 2kv1A17 ASN 14 HB2 -0.10 0.01 0.01 -0.04 2.88 2.76 2kv1A17 ASN 14 HB3 0.04 -0.01 0.04 -0.04 2.79 2.81 2kv1A17 ASN 14 HD21 -0.05 0.00 -0.06 -0.04 7.03 6.88 2kv1A17 ASN 14 HD22 -0.02 0.01 -0.07 -0.04 7.74 7.62 2kv1A17 HIS 15 H -0.16 0.30 -0.17 -0.55 8.41 7.84 2kv1A17 HIS 15 HA -0.17 0.04 0.56 -0.75 4.63 4.31 2kv1A17 HIS 15 HB2 -0.35 0.10 0.05 -0.04 3.26 3.02 2kv1A17 HIS 15 HB3 -0.28 -0.04 -0.03 -0.04 3.20 2.81 2kv1A17 HIS 15 HD2 -0.24 0.07 -0.24 -0.04 6.97 6.50 2kv1A17 HIS 15 HE1 -0.49 -0.04 -0.06 -0.04 7.75 7.11 2kv1A17 PHE 16 H -0.18 0.12 -0.02 -0.55 8.34 7.72 2kv1A17 PHE 16 HA 0.09 0.11 0.47 -0.75 4.62 4.54 2kv1A17 PHE 16 HB2 0.06 -0.02 0.10 -0.04 3.15 3.25 2kv1A17 PHE 16 HB3 0.06 0.13 -0.07 -0.04 3.06 3.13 2kv1A17 PHE 16 HD2 0.03 0.03 -0.21 -0.04 7.28 7.10 2kv1A17 PHE 16 HE2 0.02 0.02 0.02 -0.04 7.38 7.39 2kv1A17 PHE 16 HZ 0.01 -0.03 0.00 -0.04 7.32 7.27 2kv1A17 GLU 17 H 0.15 0.19 0.00 -0.55 8.60 8.39 2kv1A17 GLU 17 HA -0.00 0.19 0.75 -0.75 4.29 4.48 2kv1A17 GLU 17 HB2 0.01 -0.02 -0.01 -0.04 2.09 2.03 2kv1A17 GLU 17 HB3 -0.02 0.08 -0.02 -0.04 1.99 1.99 2kv1A17 GLU 17 HG2 -0.18 0.05 -0.06 -0.04 2.34 2.11 2kv1A17 GLU 17 HG3 -0.28 -0.12 -0.41 -0.04 2.34 1.48 2kv1A17 PRO 18 HA 0.15 0.09 0.39 -0.51 4.44 4.56 2kv1A17 PRO 18 HB2 0.05 0.03 0.01 -0.04 2.28 2.32 2kv1A17 PRO 18 HB3 0.07 0.06 0.11 -0.04 2.02 2.21 2kv1A17 PRO 18 HG2 0.02 -0.07 0.12 -0.04 2.03 2.06 2kv1A17 PRO 18 HG3 0.02 0.05 0.10 -0.04 2.03 2.16 2kv1A17 PRO 18 HD2 0.00 0.06 0.21 -0.04 3.68 3.91 2kv1A17 PRO 18 HD3 0.04 0.19 0.22 -0.04 3.65 4.06 2kv1A17 GLY 19 H 0.17 0.28 0.25 -0.55 8.43 8.59 2kv1A17 GLY 19 HA2 -0.16 0.06 0.53 -0.51 4.01 3.93 2kv1A17 GLY 19 HA3 -0.38 0.06 0.26 -0.51 4.01 3.44 2kv1A17 VAL 20 H -0.60 0.72 0.22 -0.55 8.24 8.03 2kv1A17 VAL 20 HA -0.30 0.12 0.80 -0.75 4.13 4.00 2kv1A17 VAL 20 HB -0.17 0.02 -0.09 -0.04 2.12 1.83 2kv1A17 VAL 20 HG13 0.11 0.03 -0.04 -0.04 0.97 1.03 2kv1A17 VAL 20 HG23 -0.03 0.03 -0.13 -0.04 0.95 0.78 2kv1A17 TYR 21 H -0.69 0.14 0.05 -0.55 8.29 7.25 2kv1A17 TYR 21 HA -0.15 0.25 0.95 -0.75 4.56 4.85 2kv1A17 TYR 21 HB2 -0.29 0.04 -0.00 -0.04 3.06 2.76 2kv1A17 TYR 21 HB3 -0.76 -0.09 -0.01 -0.04 2.98 2.09 2kv1A17 TYR 21 HD2 -0.05 -0.03 -0.30 -0.04 7.15 6.73 2kv1A17 TYR 21 HE2 0.03 -0.01 -0.07 -0.04 6.85 6.75 2kv1A17 VAL 22 H -0.51 0.69 0.27 -0.55 8.24 8.13 2kv1A17 VAL 22 HA -0.16 0.18 0.58 -0.75 4.13 3.97 2kv1A17 VAL 22 HB -0.08 0.02 -0.37 -0.04 2.12 1.65 2kv1A17 VAL 22 HG13 -0.11 0.02 -0.40 -0.04 0.97 0.45 2kv1A17 VAL 22 HG23 -0.13 0.05 -0.29 -0.04 0.95 0.53 2kv1A17 CYS 23 H -0.08 0.33 0.11 -0.55 8.50 8.32 2kv1A17 CYS 23 HA -0.10 0.16 0.59 -0.75 4.58 4.47 2kv1A17 CYS 23 HB2 0.20 0.18 0.21 -0.04 2.97 3.52 2kv1A17 CYS 23 HB3 0.07 -0.29 0.21 -0.04 2.97 2.91 2kv1A17 ALA 24 H -0.06 0.47 0.38 -0.55 8.40 8.65 2kv1A17 ALA 24 HA -0.06 0.10 0.33 -0.75 4.34 3.95 2kv1A17 ALA 24 HB3 -0.03 -0.00 -0.17 -0.04 1.41 1.16 2kv1A17 LYS 25 H 0.02 -0.23 -0.45 -0.55 8.42 7.20 2kv1A17 LYS 25 HA 0.00 0.31 0.76 -0.75 4.32 4.64 2kv1A17 LYS 25 HB2 0.03 -0.16 -0.12 -0.04 1.87 1.58 2kv1A17 LYS 25 HB3 0.03 -0.04 -0.27 -0.04 1.79 1.46 2kv1A17 LYS 25 HG2 -0.01 0.04 -0.37 -0.04 1.46 1.08 2kv1A17 LYS 25 HG3 -0.00 0.06 -0.47 -0.04 1.46 1.01 2kv1A17 LYS 25 HD2 -0.00 0.15 -0.05 -0.04 1.69 1.75 2kv1A17 LYS 25 HD3 -0.01 0.03 0.04 -0.04 1.68 1.70 2kv1A17 LYS 25 HE2 -0.02 -0.06 -0.00 -0.04 2.99 2.87 2kv1A17 LYS 25 HE3 -0.01 0.22 0.04 -0.04 2.99 3.20 2kv1A17 CYS 26 H 0.08 -0.07 0.08 -0.55 8.50 8.03 2kv1A17 CYS 26 HA 0.03 0.22 0.58 -0.75 4.58 4.66 2kv1A17 CYS 26 HB2 0.09 -0.08 0.12 -0.04 2.97 3.06 2kv1A17 CYS 26 HB3 0.07 0.09 0.10 -0.04 2.97 3.18 2kv1A17 SER 27 H 0.02 -0.01 -0.18 -0.55 8.46 7.74 2kv1A17 SER 27 HA -0.01 0.21 0.19 -0.75 4.49 4.12 2kv1A17 SER 27 HB2 -0.01 -0.02 0.06 -0.04 3.95 3.94 2kv1A17 SER 27 HB3 -0.01 0.06 -0.24 -0.04 3.93 3.70 2kv1A17 TYR 28 H 0.13 -0.10 -0.66 -0.55 8.29 7.11 2kv1A17 TYR 28 HA -0.02 0.17 0.54 -0.75 4.56 4.49 2kv1A17 TYR 28 HB2 -0.03 0.15 -0.01 -0.04 3.06 3.13 2kv1A17 TYR 28 HB3 -0.05 -0.09 0.03 -0.04 2.98 2.83 2kv1A17 TYR 28 HD2 -0.03 -0.02 0.04 -0.04 7.15 7.10 2kv1A17 TYR 28 HE2 -0.01 0.01 -0.00 -0.04 6.85 6.80 2kv1A17 GLU 29 H 0.01 0.17 0.12 -0.55 8.60 8.36 2kv1A17 GLU 29 HA -0.01 0.21 0.46 -0.75 4.29 4.19 2kv1A17 GLU 29 HB2 -0.03 -0.03 0.21 -0.04 2.09 2.20 2kv1A17 GLU 29 HB3 -0.03 0.04 0.02 -0.04 1.99 1.98 2kv1A17 GLU 29 HG2 -0.02 0.01 -0.04 -0.04 2.34 2.24 2kv1A17 GLU 29 HG3 -0.00 0.07 -0.17 -0.04 2.34 2.20 2kv1A17 LEU 30 H 0.10 0.31 0.24 -0.55 8.37 8.48 2kv1A17 LEU 30 HA 0.03 0.12 0.90 -0.75 4.35 4.64 2kv1A17 LEU 30 HB2 -0.11 0.05 -0.06 -0.04 1.64 1.48 2kv1A17 LEU 30 HB3 -0.31 0.02 -0.31 -0.04 1.64 1.00 2kv1A17 LEU 30 HG -0.03 0.05 0.00 -0.04 1.64 1.63 2kv1A17 LEU 30 HD13 -0.16 0.00 -0.17 -0.04 0.93 0.56 2kv1A17 LEU 30 HD23 -0.27 -0.03 -0.12 -0.04 0.89 0.43 2kv1A17 PHE 31 H 0.21 0.34 0.24 -0.55 8.34 8.58 2kv1A17 PHE 31 HA -0.23 0.02 0.34 -0.75 4.62 3.99 2kv1A17 PHE 31 HB2 -0.40 -0.00 0.17 -0.04 3.15 2.87 2kv1A17 PHE 31 HB3 -0.33 0.09 -0.12 -0.04 3.06 2.66 2kv1A17 PHE 31 HD2 -0.07 0.02 -0.07 -0.04 7.28 7.13 2kv1A17 PHE 31 HE2 0.03 0.06 -0.07 -0.04 7.38 7.36 2kv1A17 PHE 31 HZ 0.09 0.14 -0.02 -0.04 7.32 7.49 2kv1A17 SER 32 H -0.33 0.23 0.18 -0.55 8.46 7.99 2kv1A17 SER 32 HA -0.69 0.20 0.72 -0.75 4.49 3.97 2kv1A17 SER 32 HB2 -0.21 0.16 0.00 -0.04 3.95 3.85 2kv1A17 SER 32 HB3 -0.21 -0.02 0.06 -0.04 3.93 3.73 2kv1A17 SER 33 H -0.68 0.19 0.15 -0.55 8.46 7.57 2kv1A17 SER 33 HA -0.25 0.14 0.49 -0.75 4.49 4.13 2kv1A17 SER 33 HB2 -0.22 0.07 0.06 -0.04 3.95 3.82 2kv1A17 SER 33 HB3 -0.24 0.04 0.11 -0.04 3.93 3.80 2kv1A17 HIS 34 H -0.59 -0.06 -0.27 -0.55 8.41 6.96 2kv1A17 HIS 34 HA 0.01 0.26 0.62 -0.75 4.63 4.77 2kv1A17 HIS 34 HB2 -0.03 -0.02 0.00 -0.04 3.26 3.17 2kv1A17 HIS 34 HB3 -0.00 0.06 0.05 -0.04 3.20 3.27 2kv1A17 HIS 34 HD2 -0.01 0.13 -0.19 -0.04 6.97 6.86 2kv1A17 HIS 34 HE1 -0.05 0.03 0.01 -0.04 7.75 7.70 2kv1A17 SER 35 H -0.09 0.08 -0.12 -0.55 8.46 7.78 2kv1A17 SER 35 HA 0.08 0.01 0.28 -0.75 4.49 4.10 2kv1A17 SER 35 HB2 -0.09 0.13 0.12 -0.04 3.95 4.06 2kv1A17 SER 35 HB3 -0.04 -0.01 -0.00 -0.04 3.93 3.84 2kv1A17 LYS 36 H 0.02 0.20 -0.44 -0.55 8.42 7.65 2kv1A17 LYS 36 HA 0.04 0.09 0.76 -0.75 4.32 4.45 2kv1A17 LYS 36 HB2 -0.01 -0.11 -0.12 -0.04 1.87 1.59 2kv1A17 LYS 36 HB3 0.01 0.01 -0.11 -0.04 1.79 1.67 2kv1A17 LYS 36 HG2 -0.21 0.08 0.07 -0.04 1.46 1.35 2kv1A17 LYS 36 HG3 -0.01 -0.03 -0.16 -0.04 1.46 1.22 2kv1A17 LYS 36 HD2 -0.03 0.12 -0.07 -0.04 1.69 1.67 2kv1A17 LYS 36 HD3 -0.02 -0.13 -0.08 -0.04 1.68 1.41 2kv1A17 LYS 36 HE2 0.01 -0.08 -0.14 -0.04 2.99 2.74 2kv1A17 LYS 36 HE3 -0.04 0.27 0.06 -0.04 2.99 3.23 2kv1A17 TYR 37 H -0.33 0.36 0.16 -0.55 8.29 7.93 2kv1A17 TYR 37 HA 0.07 0.18 0.83 -0.75 4.56 4.89 2kv1A17 TYR 37 HB2 0.05 -0.01 0.08 -0.04 3.06 3.15 2kv1A17 TYR 37 HB3 0.05 0.02 0.04 -0.04 2.98 3.05 2kv1A17 TYR 37 HD2 0.06 0.00 -0.32 -0.04 7.15 6.85 2kv1A17 TYR 37 HE2 -0.01 -0.01 -0.05 -0.04 6.85 6.73 2kv1A17 ALA 38 H 0.25 0.14 0.12 -0.55 8.40 8.37 2kv1A17 ALA 38 HA 0.16 0.12 0.70 -0.75 4.34 4.57 2kv1A17 ALA 38 HB3 0.12 0.01 0.07 -0.04 1.41 1.56 2kv1A17 HIS 39 H 0.20 0.30 0.14 -0.55 8.41 8.50 2kv1A17 HIS 39 HA 0.08 0.06 0.50 -0.75 4.63 4.52 2kv1A17 HIS 39 HB2 0.28 0.06 -0.23 -0.04 3.26 3.33 2kv1A17 HIS 39 HB3 0.24 0.01 -0.01 -0.04 3.20 3.39 2kv1A17 HIS 39 HD2 0.02 0.03 0.07 -0.04 6.97 7.05 2kv1A17 HIS 39 HE1 0.05 -0.00 -0.08 -0.04 7.75 7.67 2kv1A17 SER 40 H -0.29 0.15 0.05 -0.55 8.46 7.83 2kv1A17 SER 40 HA -0.04 0.15 0.60 -0.75 4.49 4.45 2kv1A17 SER 40 HB2 -0.11 -0.08 0.19 -0.04 3.95 3.90 2kv1A17 SER 40 HB3 -0.09 -0.01 0.27 -0.04 3.93 4.06 2kv1A17 SER 41 H -0.03 0.54 0.11 -0.55 8.46 8.53 2kv1A17 SER 41 HA -0.05 0.08 0.63 -0.75 4.49 4.39 2kv1A17 SER 41 HB2 0.10 0.02 0.06 -0.04 3.95 4.09 2kv1A17 SER 41 HB3 -0.02 -0.06 -0.24 -0.04 3.93 3.58 2kv1A17 PRO 42 HA -0.39 0.06 0.70 -0.51 4.44 4.31 2kv1A17 PRO 42 HB2 -0.97 0.02 0.03 -0.04 2.28 1.32 2kv1A17 PRO 42 HB3 -0.46 -0.00 0.14 -0.04 2.02 1.65 2kv1A17 PRO 42 HG2 -0.01 0.05 0.02 -0.04 2.03 2.06 2kv1A17 PRO 42 HG3 -0.08 0.03 0.07 -0.04 2.03 2.00 2kv1A17 PRO 42 HD2 -0.02 0.11 0.23 -0.04 3.68 3.96 2kv1A17 PRO 42 HD3 -0.09 0.10 0.12 -0.04 3.65 3.74 2kv1A17 TRP 43 H -0.68 0.04 0.12 -0.55 7.97 6.91 2kv1A17 TRP 43 HA -0.00 0.03 0.31 -0.75 4.62 4.20 2kv1A17 TRP 43 HB2 0.01 0.10 -0.10 -0.04 3.23 3.20 2kv1A17 TRP 43 HB3 -0.01 -0.02 0.10 -0.04 3.23 3.25 2kv1A17 TRP 43 HD1 0.00 0.05 -0.12 -0.04 7.22 7.11 2kv1A17 TRP 43 HE1 -0.01 0.01 -0.00 -0.04 10.20 10.16 2kv1A17 TRP 43 HE3 -0.02 0.10 0.13 -0.04 7.59 7.75 2kv1A17 TRP 43 HZ2 -0.02 0.02 0.04 -0.04 7.44 7.44 2kv1A17 TRP 43 HZ3 -0.01 -0.02 0.21 -0.04 7.13 7.26 2kv1A17 TRP 43 HH2 -0.00 -0.13 0.13 -0.04 7.19 7.14 2kv1A17 PRO 44 HA 0.13 0.02 0.63 -0.51 4.44 4.71 2kv1A17 PRO 44 HB2 -0.09 0.12 0.05 -0.04 2.28 2.31 2kv1A17 PRO 44 HB3 0.15 0.05 0.11 -0.04 2.02 2.29 2kv1A17 PRO 44 HG2 0.00 -0.04 0.12 -0.04 2.03 2.07 2kv1A17 PRO 44 HG3 0.01 0.09 0.11 -0.04 2.03 2.20 2kv1A17 PRO 44 HD2 0.04 -0.07 0.13 -0.04 3.68 3.74 2kv1A17 PRO 44 HD3 0.02 0.33 -0.27 -0.04 3.65 3.68 2kv1A17 ALA 45 H -0.11 0.08 0.20 -0.55 8.40 8.03 2kv1A17 ALA 45 HA 0.02 0.08 0.46 -0.75 4.34 4.15 2kv1A17 ALA 45 HB3 0.06 0.02 0.13 -0.04 1.41 1.58 2kv1A17 PHE 46 H 0.00 0.56 0.35 -0.55 8.34 8.70 2kv1A17 PHE 46 HA -0.08 0.10 0.99 -0.75 4.62 4.87 2kv1A17 PHE 46 HB2 -0.08 0.14 0.14 -0.04 3.15 3.31 2kv1A17 PHE 46 HB3 -0.06 -0.00 -0.09 -0.04 3.06 2.87 2kv1A17 PHE 46 HD2 -0.08 0.07 -0.16 -0.04 7.28 7.07 2kv1A17 PHE 46 HE2 -0.44 -0.06 -0.45 -0.04 7.38 6.39 2kv1A17 PHE 46 HZ -0.67 -0.05 -0.21 -0.04 7.32 6.35 2kv1A17 THR 47 H 0.26 0.61 0.31 -0.55 8.28 8.92 2kv1A17 THR 47 HA 0.15 0.22 0.66 -0.75 4.39 4.67 2kv1A17 THR 47 HB 0.14 -0.02 -0.02 -0.04 4.32 4.37 2kv1A17 THR 47 HG23 0.15 0.03 -0.03 -0.04 1.22 1.33 2kv1A17 GLU 48 H 0.23 0.25 0.26 -0.55 8.60 8.79 2kv1A17 GLU 48 HA 0.08 0.16 0.73 -0.75 4.29 4.50 2kv1A17 GLU 48 HB2 0.06 0.04 -0.05 -0.04 2.09 2.09 2kv1A17 GLU 48 HB3 0.10 0.11 -0.02 -0.04 1.99 2.14 2kv1A17 GLU 48 HG2 0.08 -0.10 -0.05 -0.04 2.34 2.23 2kv1A17 GLU 48 HG3 0.06 0.02 -0.12 -0.04 2.34 2.26 2kv1A17 THR 49 H 0.00 0.20 0.10 -0.55 8.28 8.03 2kv1A17 THR 49 HA -0.18 0.05 0.57 -0.75 4.39 4.07 2kv1A17 THR 49 HB -0.02 -0.01 -0.08 -0.04 4.32 4.17 2kv1A17 THR 49 HG23 -0.23 0.01 -0.14 -0.04 1.22 0.82 2kv1A17 ILE 50 H -0.15 0.14 0.16 -0.55 8.25 7.85 2kv1A17 ILE 50 HA -0.04 0.20 0.69 -0.75 4.18 4.27 2kv1A17 ILE 50 HB -0.08 0.09 -0.13 -0.04 1.89 1.72 2kv1A17 ILE 50 HG12 -0.16 -0.18 -0.07 -0.04 1.49 1.05 2kv1A17 ILE 50 HG13 -0.12 0.06 -0.22 -0.04 1.21 0.89 2kv1A17 ILE 50 HG23 -0.07 0.00 -0.12 -0.04 0.93 0.70 2kv1A17 ILE 50 HD13 -0.30 0.03 0.11 -0.04 0.88 0.68 2kv1A17 HIS 51 H 0.07 -0.05 0.03 -0.55 8.41 7.91 2kv1A17 HIS 51 HA 0.02 0.10 0.48 -0.75 4.63 4.47 2kv1A17 HIS 51 HB2 -0.03 -0.07 0.09 -0.04 3.26 3.21 2kv1A17 HIS 51 HB3 0.02 0.07 -0.08 -0.04 3.20 3.17 2kv1A17 HIS 51 HD2 0.05 0.01 0.05 -0.04 6.97 7.03 2kv1A17 HIS 51 HE1 0.18 -0.04 0.07 -0.04 7.75 7.92 2kv1A17 PRO 52 HA 0.04 0.16 0.39 -0.51 4.44 4.53 2kv1A17 PRO 52 HB2 0.04 -0.03 0.00 -0.04 2.28 2.25 2kv1A17 PRO 52 HB3 0.02 0.11 0.10 -0.04 2.02 2.22 2kv1A17 PRO 52 HG2 0.06 -0.07 0.08 -0.04 2.03 2.06 2kv1A17 PRO 52 HG3 0.01 0.09 0.08 -0.04 2.03 2.17 2kv1A17 PRO 52 HD2 -0.16 0.01 0.23 -0.04 3.68 3.72 2kv1A17 PRO 52 HD3 -0.10 0.22 0.21 -0.04 3.65 3.94 2kv1A17 ASP 53 H 0.05 0.21 0.13 -0.55 8.40 8.23 2kv1A17 ASP 53 HA 0.06 0.16 0.27 -0.75 4.63 4.37 2kv1A17 ASP 53 HB2 0.04 0.07 0.19 -0.04 2.71 2.97 2kv1A17 ASP 53 HB3 0.05 0.04 0.10 -0.04 2.70 2.84 2kv1A17 SER 54 H 0.06 0.09 -0.93 -0.55 8.46 7.13 2kv1A17 SER 54 HA 0.04 0.16 0.63 -0.75 4.49 4.56 2kv1A17 SER 54 HB2 0.06 -0.02 -0.01 -0.04 3.95 3.94 2kv1A17 SER 54 HB3 0.05 -0.06 -0.01 -0.04 3.93 3.87 2kv1A17 VAL 55 H 0.08 0.33 0.13 -0.55 8.24 8.23 2kv1A17 VAL 55 HA 0.06 -0.08 0.92 -0.75 4.13 4.28 2kv1A17 VAL 55 HB 0.05 0.05 -0.07 -0.04 2.12 2.11 2kv1A17 VAL 55 HG13 0.12 -0.01 0.04 -0.04 0.97 1.08 2kv1A17 VAL 55 HG23 0.08 0.02 -0.16 -0.04 0.95 0.86 2kv1A17 THR 56 H 0.04 0.52 0.41 -0.55 8.28 8.71 2kv1A17 THR 56 HA 0.04 0.16 0.82 -0.75 4.39 4.66 2kv1A17 THR 56 HB 0.03 0.10 -0.12 -0.04 4.32 4.28 2kv1A17 THR 56 HG23 0.02 -0.03 0.02 -0.04 1.22 1.20 2kv1A17 LYS 57 H 0.03 0.22 0.20 -0.55 8.42 8.32 2kv1A17 LYS 57 HA 0.03 0.05 1.14 -0.75 4.32 4.79 2kv1A17 LYS 57 HB2 0.03 0.13 -0.04 -0.04 1.87 1.95 2kv1A17 LYS 57 HB3 0.07 -0.10 -0.09 -0.04 1.79 1.63 2kv1A17 LYS 57 HG2 0.06 0.00 -0.13 -0.04 1.46 1.35 2kv1A17 LYS 57 HG3 0.06 -0.02 -0.06 -0.04 1.46 1.39 2kv1A17 LYS 57 HD2 0.02 -0.02 0.07 -0.04 1.69 1.72 2kv1A17 LYS 57 HD3 0.01 0.02 -0.16 -0.04 1.68 1.51 2kv1A17 LYS 57 HE2 0.01 -0.01 -0.07 -0.04 2.99 2.88 2kv1A17 LYS 57 HE3 0.04 0.01 -0.03 -0.04 2.99 2.97 2kv1A17 CYS 58 H 0.02 0.70 0.39 -0.55 8.50 9.06 2kv1A17 CYS 58 HA 0.00 0.17 0.86 -0.75 4.58 4.86 2kv1A17 CYS 58 HB2 0.01 0.09 0.03 -0.04 2.97 3.06 2kv1A17 CYS 58 HB3 0.01 0.03 -0.12 -0.04 2.97 2.84 2kv1A17 PRO 59 HA -0.01 -0.06 0.59 -0.51 4.44 4.45 2kv1A17 PRO 59 HB2 -0.02 0.20 0.03 -0.04 2.28 2.45 2kv1A17 PRO 59 HB3 -0.03 -0.01 0.09 -0.04 2.02 2.03 2kv1A17 PRO 59 HG2 -0.01 0.04 0.04 -0.04 2.03 2.07 2kv1A17 PRO 59 HG3 -0.02 0.04 0.07 -0.04 2.03 2.08 2kv1A17 PRO 59 HD2 -0.00 0.10 0.23 -0.04 3.68 3.96 2kv1A17 PRO 59 HD3 -0.01 0.14 0.21 -0.04 3.65 3.95 2kv1A17 GLU 60 H 0.00 0.36 0.36 -0.55 8.60 8.79 2kv1A17 GLU 60 HA 0.02 0.06 0.65 -0.75 4.29 4.26 2kv1A17 GLU 60 HB2 0.01 0.21 -0.08 -0.04 2.09 2.18 2kv1A17 GLU 60 HB3 0.02 -0.25 0.03 -0.04 1.99 1.75 2kv1A17 GLU 60 HG2 0.05 -0.04 -0.19 -0.04 2.34 2.12 2kv1A17 GLU 60 HG3 0.04 0.05 -0.09 -0.04 2.34 2.29 2kv1A17 LYS 61 H 0.01 0.05 0.19 -0.55 8.42 8.12 2kv1A17 LYS 61 HA -0.00 0.25 0.70 -0.75 4.32 4.52 2kv1A17 LYS 61 HB2 0.00 0.05 -0.04 -0.04 1.87 1.84 2kv1A17 LYS 61 HB3 0.00 0.09 -0.01 -0.04 1.79 1.83 2kv1A17 LYS 61 HG2 0.01 -0.19 0.14 -0.04 1.46 1.37 2kv1A17 LYS 61 HG3 0.01 0.05 -0.00 -0.04 1.46 1.48 2kv1A17 LYS 61 HD2 0.01 0.07 -0.01 -0.04 1.69 1.71 2kv1A17 LYS 61 HD3 0.01 -0.01 0.11 -0.04 1.68 1.75 2kv1A17 LYS 61 HE2 0.02 0.05 -0.00 -0.04 2.99 3.01 2kv1A17 LYS 61 HE3 0.02 -0.06 0.03 -0.04 2.99 2.94 2kv1A17 ASN 62 H 0.01 -0.10 0.18 -0.55 8.53 8.07 2kv1A17 ASN 62 HA 0.00 0.19 0.62 -0.75 4.76 4.81 2kv1A17 ASN 62 HB2 0.01 0.05 0.06 -0.04 2.88 2.96 2kv1A17 ASN 62 HB3 0.01 0.06 0.06 -0.04 2.79 2.87 2kv1A17 ASN 62 HD21 0.01 0.05 0.01 -0.04 7.03 7.07 2kv1A17 ASN 62 HD22 0.02 0.04 0.00 -0.04 7.74 7.77 2kv1A17 ARG 63 H 0.01 -0.06 -0.30 -0.55 8.46 7.55 2kv1A17 ARG 63 HA -0.00 0.24 0.64 -0.75 4.34 4.46 2kv1A17 ARG 63 HB2 0.01 -0.06 0.09 -0.04 1.90 1.89 2kv1A17 ARG 63 HB3 -0.02 0.04 0.10 -0.04 1.80 1.88 2kv1A17 ARG 63 HG2 -0.00 0.29 -0.28 -0.04 1.67 1.64 2kv1A17 ARG 63 HG3 0.01 -0.13 -0.30 -0.04 1.67 1.20 2kv1A17 ARG 63 HD2 -0.00 0.02 -0.07 -0.04 3.22 3.13 2kv1A17 ARG 63 HD3 -0.01 -0.03 -0.05 -0.04 3.22 3.08 2kv1A17 PRO 64 HA -0.01 0.19 -0.03 -0.51 4.44 4.08 2kv1A17 PRO 64 HB2 -0.01 0.04 0.16 -0.04 2.28 2.42 2kv1A17 PRO 64 HB3 -0.01 0.09 -0.01 -0.04 2.02 2.05 2kv1A17 PRO 64 HG2 -0.00 0.04 -0.07 -0.04 2.03 1.95 2kv1A17 PRO 64 HG3 -0.00 0.08 -0.04 -0.04 2.03 2.02 2kv1A17 PRO 64 HD2 -0.00 0.14 -0.11 -0.04 3.68 3.67 2kv1A17 PRO 64 HD3 -0.00 0.08 -0.36 -0.04 3.65 3.32 2kv1A17 GLU 65 H 0.00 0.55 -0.01 -0.55 8.60 8.60 2kv1A17 GLU 65 HA -0.00 0.16 0.79 -0.75 4.29 4.48 2kv1A17 GLU 65 HB2 0.05 -0.00 -0.04 -0.04 2.09 2.06 2kv1A17 GLU 65 HB3 0.09 -0.01 0.11 -0.04 1.99 2.13 2kv1A17 GLU 65 HG2 0.01 0.12 -0.42 -0.04 2.34 2.01 2kv1A17 GLU 65 HG3 0.01 -0.06 -0.30 -0.04 2.34 1.95 2kv1A17 ALA 66 H -0.02 0.33 0.29 -0.55 8.40 8.46 2kv1A17 ALA 66 HA -0.05 -0.01 0.66 -0.75 4.34 4.19 2kv1A17 ALA 66 HB3 0.03 0.03 0.04 -0.04 1.41 1.47 2kv1A17 LEU 67 H -0.03 0.52 0.41 -0.55 8.37 8.73 2kv1A17 LEU 67 HA 0.01 -0.07 0.89 -0.75 4.35 4.42 2kv1A17 LEU 67 HB2 -0.06 0.02 -0.08 -0.04 1.64 1.48 2kv1A17 LEU 67 HB3 -0.09 0.04 0.05 -0.04 1.64 1.61 2kv1A17 LEU 67 HG -0.00 0.17 -0.24 -0.04 1.64 1.52 2kv1A17 LEU 67 HD13 -0.04 -0.01 -0.18 -0.04 0.93 0.66 2kv1A17 LEU 67 HD23 -0.02 -0.04 -0.31 -0.04 0.89 0.47 2kv1A17 LYS 68 H 0.03 0.63 0.32 -0.55 8.42 8.85 2kv1A17 LYS 68 HA 0.05 0.02 0.96 -0.75 4.32 4.60 2kv1A17 LYS 68 HB2 -0.04 0.13 0.10 -0.04 1.87 2.03 2kv1A17 LYS 68 HB3 0.03 -0.04 0.05 -0.04 1.79 1.79 2kv1A17 LYS 68 HG2 0.05 -0.07 -0.02 -0.04 1.46 1.38 2kv1A17 LYS 68 HG3 0.02 0.02 0.02 -0.04 1.46 1.48 2kv1A17 LYS 68 HD2 0.00 0.02 -0.07 -0.04 1.69 1.60 2kv1A17 LYS 68 HD3 0.05 -0.02 -0.06 -0.04 1.68 1.60 2kv1A17 LYS 68 HE2 0.03 0.06 -0.11 -0.04 2.99 2.93 2kv1A17 LYS 68 HE3 0.02 0.00 -0.06 -0.04 2.99 2.91 2kv1A17 VAL 69 H 0.06 0.74 0.31 -0.55 8.24 8.80 2kv1A17 VAL 69 HA 0.06 0.09 0.96 -0.75 4.13 4.48 2kv1A17 VAL 69 HB 0.13 -0.06 -0.10 -0.04 2.12 2.05 2kv1A17 VAL 69 HG13 0.09 -0.00 -0.30 -0.04 0.97 0.72 2kv1A17 VAL 69 HG23 0.21 0.01 -0.30 -0.04 0.95 0.82 2kv1A17 SER 70 H 0.04 0.78 0.42 -0.55 8.46 9.16 2kv1A17 SER 70 HA 0.02 -0.11 0.99 -0.75 4.49 4.63 2kv1A17 SER 70 HB2 0.01 0.12 0.09 -0.04 3.95 4.12 2kv1A17 SER 70 HB3 0.00 -0.01 0.17 -0.04 3.93 4.05 2kv1A17 CYS 71 H 0.00 0.48 0.07 -0.55 8.50 8.51 2kv1A17 CYS 71 HA 0.04 0.15 0.95 -0.75 4.58 4.98 2kv1A17 CYS 71 HB2 -0.07 0.07 0.10 -0.04 2.97 3.03 2kv1A17 CYS 71 HB3 0.01 -0.07 0.27 -0.04 2.97 3.14 2kv1A17 GLY 72 H 0.03 0.38 0.06 -0.55 8.43 8.36 2kv1A17 GLY 72 HA2 0.02 0.12 0.68 -0.51 4.01 4.31 2kv1A17 GLY 72 HA3 0.02 0.14 0.33 -0.51 4.01 3.99 2kv1A17 LYS 73 H 0.05 -0.04 -0.29 -0.55 8.42 7.59 2kv1A17 LYS 73 HA 0.04 0.12 0.39 -0.75 4.32 4.11 2kv1A17 LYS 73 HB2 0.10 -0.09 0.01 -0.04 1.87 1.85 2kv1A17 LYS 73 HB3 0.08 0.00 -0.10 -0.04 1.79 1.73 2kv1A17 LYS 73 HG2 0.05 0.05 0.01 -0.04 1.46 1.53 2kv1A17 LYS 73 HG3 0.07 -0.04 -0.02 -0.04 1.46 1.44 2kv1A17 LYS 73 HD2 0.03 0.08 -0.03 -0.04 1.69 1.73 2kv1A17 LYS 73 HD3 0.03 0.02 0.01 -0.04 1.68 1.70 2kv1A17 LYS 73 HE2 0.04 -0.02 -0.00 -0.04 2.99 2.97 2kv1A17 LYS 73 HE3 0.05 -0.07 -0.05 -0.04 2.99 2.88 2kv1A17 CYS 74 H 0.05 -0.11 -0.24 -0.55 8.50 7.65 2kv1A17 CYS 74 HA 0.02 0.26 0.55 -0.75 4.58 4.65 2kv1A17 CYS 74 HB2 0.04 0.09 -0.48 -0.04 2.97 2.57 2kv1A17 CYS 74 HB3 0.06 0.02 -0.30 -0.04 2.97 2.71 2kv1A17 GLY 75 H 0.02 0.10 0.11 -0.55 8.43 8.12 2kv1A17 GLY 75 HA2 0.00 0.03 0.36 -0.51 4.01 3.89 2kv1A17 GLY 75 HA3 -0.00 0.16 0.62 -0.51 4.01 4.28 2kv1A17 ASN 76 H 0.00 0.48 0.34 -0.55 8.53 8.81 2kv1A17 ASN 76 HA -0.03 0.28 0.67 -0.75 4.76 4.92 2kv1A17 ASN 76 HB2 -0.00 0.08 -0.09 -0.04 2.88 2.83 2kv1A17 ASN 76 HB3 -0.00 -0.15 0.13 -0.04 2.79 2.72 2kv1A17 ASN 76 HD21 0.00 -0.10 0.15 -0.04 7.03 7.04 2kv1A17 ASN 76 HD22 0.02 0.04 0.23 -0.04 7.74 7.99 2kv1A17 GLY 77 H -0.04 0.24 -0.07 -0.55 8.43 8.01 2kv1A17 GLY 77 HA2 0.00 0.03 0.92 -0.51 4.01 4.45 2kv1A17 GLY 77 HA3 -0.05 0.11 0.43 -0.51 4.01 3.99 2kv1A17 LEU 78 H 0.02 0.02 -0.06 -0.55 8.37 7.80 2kv1A17 LEU 78 HA 0.09 0.02 0.23 -0.75 4.35 3.94 2kv1A17 LEU 78 HB2 -0.02 0.07 0.12 -0.04 1.64 1.76 2kv1A17 LEU 78 HB3 -0.04 -0.11 0.11 -0.04 1.64 1.55 2kv1A17 LEU 78 HG -0.19 -0.03 -0.06 -0.04 1.64 1.31 2kv1A17 LEU 78 HD13 0.03 -0.01 -0.23 -0.04 0.93 0.68 2kv1A17 LEU 78 HD23 0.03 0.03 -0.25 -0.04 0.89 0.66 2kv1A17 GLY 79 H 0.11 0.30 -0.11 -0.55 8.43 8.19 2kv1A17 GLY 79 HA2 -0.02 0.00 0.66 -0.51 4.01 4.15 2kv1A17 GLY 79 HA3 0.16 0.13 0.50 -0.51 4.01 4.29 2kv1A17 HIS 80 H 0.08 0.78 0.41 -0.55 8.41 9.14 2kv1A17 HIS 80 HA 0.01 0.11 1.00 -0.75 4.63 5.00 2kv1A17 HIS 80 HB2 -0.13 -0.06 0.11 -0.04 3.26 3.14 2kv1A17 HIS 80 HB3 -0.08 0.06 0.08 -0.04 3.20 3.22 2kv1A17 HIS 80 HD2 -0.03 0.05 -0.08 -0.04 6.97 6.86 2kv1A17 HIS 80 HE1 -0.43 -0.00 -0.07 -0.04 7.75 7.20 2kv1A17 GLU 81 H 0.05 0.85 0.30 -0.55 8.60 9.25 2kv1A17 GLU 81 HA -0.40 0.16 0.86 -0.75 4.29 4.16 2kv1A17 GLU 81 HB2 -0.08 -0.01 -0.31 -0.04 2.09 1.64 2kv1A17 GLU 81 HB3 -0.13 -0.07 -0.12 -0.04 1.99 1.63 2kv1A17 GLU 81 HG2 -0.48 0.01 -0.45 -0.04 2.34 1.38 2kv1A17 GLU 81 HG3 -1.68 0.06 -0.15 -0.04 2.34 0.53 2kv1A17 PHE 82 H -0.14 0.71 0.32 -0.55 8.34 8.68 2kv1A17 PHE 82 HA -0.13 -0.02 0.93 -0.75 4.62 4.64 2kv1A17 PHE 82 HB2 -0.14 -0.00 0.19 -0.04 3.15 3.16 2kv1A17 PHE 82 HB3 -0.17 0.06 0.30 -0.04 3.06 3.21 2kv1A17 PHE 82 HD2 -0.10 0.04 0.10 -0.04 7.28 7.28 2kv1A17 PHE 82 HE2 -0.06 0.05 0.01 -0.04 7.38 7.34 2kv1A17 PHE 82 HZ -0.05 -0.02 -0.03 -0.04 7.32 7.18 2kv1A17 LEU 83 H -0.34 0.20 0.25 -0.55 8.37 7.93 2kv1A17 LEU 83 HA -0.41 0.15 0.67 -0.75 4.35 4.01 2kv1A17 LEU 83 HB2 -0.24 0.02 -0.34 -0.04 1.64 1.05 2kv1A17 LEU 83 HB3 -0.18 0.02 -0.11 -0.04 1.64 1.33 2kv1A17 LEU 83 HG -0.15 -0.14 0.08 -0.04 1.64 1.38 2kv1A17 LEU 83 HD13 -0.16 0.03 0.00 -0.04 0.93 0.76 2kv1A17 LEU 83 HD23 -0.08 0.01 -0.08 -0.04 0.89 0.70 2kv1A17 ASN 84 H -0.22 0.20 0.04 -0.55 8.53 8.00 2kv1A17 ASN 84 HA -0.13 0.05 0.26 -0.75 4.76 4.19 2kv1A17 ASN 84 HB2 -0.13 0.15 -0.13 -0.04 2.88 2.74 2kv1A17 ASN 84 HB3 -0.09 0.04 0.07 -0.04 2.79 2.78 2kv1A17 ASN 84 HD21 -0.06 0.05 -0.01 -0.04 7.03 6.97 2kv1A17 ASN 84 HD22 -0.06 0.01 -0.06 -0.04 7.74 7.59 2kv1A17 ASP 85 H -0.38 0.17 -0.92 -0.55 8.40 6.72 2kv1A17 ASP 85 HA -0.10 0.18 0.70 -0.75 4.63 4.66 2kv1A17 ASP 85 HB2 -0.14 0.09 0.05 -0.04 2.71 2.67 2kv1A17 ASP 85 HB3 -0.49 -0.09 0.03 -0.04 2.70 2.11 2kv1A17 GLY 86 H -0.37 0.06 -0.09 -0.55 8.43 7.48 2kv1A17 GLY 86 HA2 -0.03 0.20 0.63 -0.51 4.01 4.31 2kv1A17 GLY 86 HA3 0.02 0.04 0.26 -0.51 4.01 3.82 2kv1A17 PRO 87 HA -0.08 0.17 0.27 -0.51 4.44 4.29 2kv1A17 PRO 87 HB2 -0.06 0.10 0.04 -0.04 2.28 2.32 2kv1A17 PRO 87 HB3 -0.12 -0.12 0.10 -0.04 2.02 1.85 2kv1A17 PRO 87 HG2 -0.06 0.11 -0.14 -0.04 2.03 1.90 2kv1A17 PRO 87 HG3 -0.09 0.01 -0.05 -0.04 2.03 1.85 2kv1A17 PRO 87 HD2 -0.09 0.35 -0.48 -0.04 3.68 3.42 2kv1A17 PRO 87 HD3 -0.18 -0.18 -0.27 -0.04 3.65 2.97 2kv1A17 LYS 88 H -0.04 0.00 -0.74 -0.55 8.42 7.10 2kv1A17 LYS 88 HA -0.01 0.13 0.68 -0.75 4.32 4.37 2kv1A17 LYS 88 HB2 -0.01 -0.01 -0.03 -0.04 1.87 1.77 2kv1A17 LYS 88 HB3 -0.01 -0.01 0.04 -0.04 1.79 1.78 2kv1A17 LYS 88 HG2 -0.02 0.02 -0.02 -0.04 1.46 1.40 2kv1A17 LYS 88 HG3 -0.03 -0.06 -0.14 -0.04 1.46 1.19 2kv1A17 LYS 88 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.61 2kv1A17 LYS 88 HD3 -0.02 -0.00 -0.03 -0.04 1.68 1.59 2kv1A17 LYS 88 HE2 -0.03 0.02 -0.06 -0.04 2.99 2.88 2kv1A17 LYS 88 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.88 2kv1A17 ARG 89 H -0.00 0.41 0.01 -0.55 8.46 8.33 2kv1A17 ARG 89 HA 0.01 0.08 0.71 -0.75 4.34 4.39 2kv1A17 ARG 89 HB2 0.03 0.19 0.18 -0.04 1.90 2.26 2kv1A17 ARG 89 HB3 0.03 -0.22 0.07 -0.04 1.80 1.63 2kv1A17 ARG 89 HG2 0.01 0.03 0.01 -0.04 1.67 1.68 2kv1A17 ARG 89 HG3 0.02 0.01 0.04 -0.04 1.67 1.71 2kv1A17 ARG 89 HD2 0.01 -0.01 0.06 -0.04 3.22 3.24 2kv1A17 ARG 89 HD3 0.01 -0.08 0.14 -0.04 3.22 3.24 2kv1A17 GLY 90 H 0.01 0.09 0.14 -0.55 8.43 8.13 2kv1A17 GLY 90 HA2 0.02 0.17 0.47 -0.51 4.01 4.15 2kv1A17 GLY 90 HA3 0.02 -0.02 0.30 -0.51 4.01 3.80 2kv1A17 GLN 91 H 0.03 -0.04 -0.35 -0.55 8.47 7.57 2kv1A17 GLN 91 HA 0.03 0.08 0.59 -0.75 4.36 4.32 2kv1A17 GLN 91 HB2 0.07 0.01 -0.01 -0.04 2.15 2.17 2kv1A17 GLN 91 HB3 0.04 0.01 -0.05 -0.04 2.02 1.99 2kv1A17 GLN 91 HG2 0.01 0.04 -0.01 -0.04 2.40 2.40 2kv1A17 GLN 91 HG3 0.02 -0.08 -0.02 -0.04 2.39 2.26 2kv1A17 GLN 91 HE21 -0.03 0.02 -0.02 -0.04 6.97 6.90 2kv1A17 GLN 91 HE22 -0.01 -0.00 -0.01 -0.04 7.69 7.62 2kv1A17 SER 92 H 0.05 0.21 0.03 -0.55 8.46 8.20 2kv1A17 SER 92 HA -0.01 0.06 0.62 -0.75 4.49 4.39 2kv1A17 SER 92 HB2 0.10 -0.05 0.13 -0.04 3.95 4.09 2kv1A17 SER 92 HB3 0.13 0.08 0.11 -0.04 3.93 4.21 2kv1A17 ARG 93 H -0.10 0.22 0.12 -0.55 8.46 8.14 2kv1A17 ARG 93 HA -0.00 0.27 0.90 -0.75 4.34 4.76 2kv1A17 ARG 93 HB2 -0.03 -0.06 0.13 -0.04 1.90 1.90 2kv1A17 ARG 93 HB3 -0.04 0.03 0.02 -0.04 1.80 1.78 2kv1A17 ARG 93 HG2 0.03 0.20 -0.08 -0.04 1.67 1.78 2kv1A17 ARG 93 HG3 0.01 -0.14 -0.34 -0.04 1.67 1.16 2kv1A17 ARG 93 HD2 -0.14 -0.03 -0.03 -0.04 3.22 2.98 2kv1A17 ARG 93 HD3 -0.03 0.03 -0.02 -0.04 3.22 3.16 2kv1A17 PHE 94 H -0.08 0.82 0.35 -0.55 8.34 8.87 2kv1A17 PHE 94 HA -0.23 0.09 0.98 -0.75 4.62 4.71 2kv1A17 PHE 94 HB2 -2.22 0.01 -0.05 -0.04 3.15 0.85 2kv1A17 PHE 94 HB3 -0.91 0.07 0.03 -0.04 3.06 2.20 2kv1A17 PHE 94 HD2 -0.28 0.12 -0.26 -0.04 7.28 6.83 2kv1A17 PHE 94 HE2 -0.00 0.08 -0.13 -0.04 7.38 7.28 2kv1A17 PHE 94 HZ 0.02 -0.00 -0.11 -0.04 7.32 7.19 2kv1A17 CYS 95 H 0.07 0.64 0.31 -0.55 8.50 8.96 2kv1A17 CYS 95 HA 0.11 0.18 0.76 -0.75 4.58 4.87 2kv1A17 CYS 95 HB2 -0.06 0.04 -0.12 -0.04 2.97 2.79 2kv1A17 CYS 95 HB3 -0.10 -0.06 0.02 -0.04 2.97 2.79 2kv1A17 ILE 96 H 0.14 0.28 0.19 -0.55 8.25 8.30 2kv1A17 ILE 96 HA 0.05 0.13 1.11 -0.75 4.18 4.72 2kv1A17 ILE 96 HB 0.21 0.01 0.01 -0.04 1.89 2.07 2kv1A17 ILE 96 HG12 0.22 0.09 -0.04 -0.04 1.49 1.71 2kv1A17 ILE 96 HG13 0.48 -0.07 -0.49 -0.04 1.21 1.09 2kv1A17 ILE 96 HG23 0.17 0.04 -0.07 -0.04 0.93 1.03 2kv1A17 ILE 96 HD13 -0.12 -0.01 -0.11 -0.04 0.88 0.60 2kv1A17 PHE 97 H 0.20 0.42 0.30 -0.55 8.34 8.71 2kv1A17 PHE 97 HA 0.15 0.08 0.64 -0.75 4.62 4.73 2kv1A17 PHE 97 HB2 0.03 0.05 0.16 -0.04 3.15 3.35 2kv1A17 PHE 97 HB3 0.05 -0.11 0.03 -0.04 3.06 2.99 2kv1A17 PHE 97 HD2 -0.03 0.04 -0.02 -0.04 7.28 7.22 2kv1A17 PHE 97 HE2 -0.17 0.04 -0.04 -0.04 7.38 7.17 2kv1A17 PHE 97 HZ -0.12 -0.00 -0.05 -0.04 7.32 7.11 2kv1A17 SER 98 H 0.57 0.18 0.22 -0.55 8.46 8.88 2kv1A17 SER 98 HA 0.10 0.11 0.35 -0.75 4.49 4.30 2kv1A17 SER 98 HB2 -0.14 0.05 0.11 -0.04 3.95 3.93 2kv1A17 SER 98 HB3 -0.09 0.02 0.18 -0.04 3.93 4.00 2kv1A17 SER 99 H 0.14 0.01 -0.29 -0.55 8.46 7.78 2kv1A17 SER 99 HA -0.01 0.21 0.61 -0.75 4.49 4.56 2kv1A17 SER 99 HB2 -0.03 -0.04 0.03 -0.04 3.95 3.87 2kv1A17 SER 99 HB3 -0.02 -0.01 0.01 -0.04 3.93 3.87 2kv1A17 SER 100 H 0.12 0.48 -0.21 -0.55 8.46 8.30 2kv1A17 SER 100 HA 0.03 -0.02 0.43 -0.75 4.49 4.18 2kv1A17 SER 100 HB2 0.21 -0.08 0.22 -0.04 3.95 4.27 2kv1A17 SER 100 HB3 0.14 0.20 0.16 -0.04 3.93 4.40 2kv1A17 LEU 101 H 0.01 0.23 -0.23 -0.55 8.37 7.84 2kv1A17 LEU 101 HA -0.16 -0.02 0.76 -0.75 4.35 4.18 2kv1A17 LEU 101 HB2 -0.56 0.20 0.17 -0.04 1.64 1.41 2kv1A17 LEU 101 HB3 -0.05 -0.06 -0.24 -0.04 1.64 1.25 2kv1A17 LEU 101 HG 0.27 -0.03 -0.12 -0.04 1.64 1.71 2kv1A17 LEU 101 HD13 0.07 0.01 -0.08 -0.04 0.93 0.89 2kv1A17 LEU 101 HD23 0.00 0.03 -0.34 -0.04 0.89 0.54 2kv1A17 LYS 102 H -0.26 0.49 0.17 -0.55 8.42 8.27 2kv1A17 LYS 102 HA -0.04 0.17 0.74 -0.75 4.32 4.43 2kv1A17 LYS 102 HB2 -0.09 -0.01 -0.19 -0.04 1.87 1.55 2kv1A17 LYS 102 HB3 -0.04 0.03 0.09 -0.04 1.79 1.83 2kv1A17 LYS 102 HG2 -0.05 0.06 -0.29 -0.04 1.46 1.14 2kv1A17 LYS 102 HG3 -0.10 0.00 -0.25 -0.04 1.46 1.08 2kv1A17 LYS 102 HD2 -0.03 0.00 -0.05 -0.04 1.69 1.57 2kv1A17 LYS 102 HD3 -0.04 0.04 -0.08 -0.04 1.68 1.57 2kv1A17 LYS 102 HE2 -0.05 0.02 -0.12 -0.04 2.99 2.80 2kv1A17 LYS 102 HE3 -0.07 -0.03 -0.17 -0.04 2.99 2.68 2kv1A17 PHE 103 H 0.06 0.25 0.15 -0.55 8.34 8.24 2kv1A17 PHE 103 HA -0.15 0.20 0.94 -0.75 4.62 4.86 2kv1A17 PHE 103 HB2 -0.14 -0.02 -0.08 -0.04 3.15 2.86 2kv1A17 PHE 103 HB3 -0.11 -0.02 0.08 -0.04 3.06 2.96 2kv1A17 PHE 103 HD2 -0.06 -0.03 -0.20 -0.04 7.28 6.95 2kv1A17 PHE 103 HE2 -0.03 -0.01 -0.31 -0.04 7.38 6.99 2kv1A17 PHE 103 HZ 0.06 0.08 -0.23 -0.04 7.32 7.19 2kv1A17 VAL 104 H -0.52 0.72 0.16 -0.55 8.24 8.06 2kv1A17 VAL 104 HA -0.19 0.21 0.88 -0.75 4.13 4.27 2kv1A17 VAL 104 HB -0.14 -0.01 -0.10 -0.04 2.12 1.83 2kv1A17 VAL 104 HG13 -0.18 -0.01 -0.07 -0.04 0.97 0.66 2kv1A17 VAL 104 HG23 -0.11 0.01 -0.04 -0.04 0.95 0.77 2kv1A17 PRO 105 HA -0.40 -0.02 0.66 -0.51 4.44 4.16 2kv1A17 PRO 105 HB2 0.02 0.14 0.04 -0.04 2.28 2.44 2kv1A17 PRO 105 HB3 0.16 -0.05 -0.01 -0.04 2.02 2.09 2kv1A17 PRO 105 HG2 -0.02 0.09 0.03 -0.04 2.03 2.09 2kv1A17 PRO 105 HG3 0.12 -0.02 0.02 -0.04 2.03 2.11 2kv1A17 PRO 105 HD2 -0.08 0.10 0.21 -0.04 3.68 3.87 2kv1A17 PRO 105 HD3 -0.06 0.17 -0.12 -0.04 3.65 3.59 2kv1A17 LYS 106 H -0.06 0.63 0.36 -0.55 8.42 8.80 2kv1A17 LYS 106 HA -0.05 0.15 0.68 -0.75 4.32 4.35 2kv1A17 LYS 106 HB2 -0.02 0.08 0.01 -0.04 1.87 1.90 2kv1A17 LYS 106 HB3 -0.02 -0.09 0.11 -0.04 1.79 1.75 2kv1A17 LYS 106 HG2 -0.01 -0.01 0.03 -0.04 1.46 1.43 2kv1A17 LYS 106 HG3 -0.02 -0.06 0.08 -0.04 1.46 1.41 2kv1A17 LYS 106 HD2 -0.02 0.01 -0.03 -0.04 1.69 1.61 2kv1A17 LYS 106 HD3 -0.04 0.08 -0.08 -0.04 1.68 1.60 2kv1A17 LYS 106 HE2 -0.02 0.03 -0.09 -0.04 2.99 2.86 2kv1A17 LYS 106 HE3 -0.01 -0.01 -0.16 -0.04 2.99 2.76 2kv1A17 GLY 107 H -0.03 0.06 0.05 -0.55 8.43 7.97 2kv1A17 GLY 107 HA2 -0.04 -0.01 0.35 -0.51 4.01 3.81 2kv1A17 GLY 107 HA3 -0.03 0.18 0.44 -0.51 4.01 4.09 2kv1A17 LYS 108 H -0.02 0.12 0.16 -0.55 8.42 8.12 2kv1A17 LYS 108 HA -0.02 0.15 0.40 -0.75 4.32 4.10 2kv1A17 LYS 108 HB2 -0.01 -0.06 0.17 -0.04 1.87 1.93 2kv1A17 LYS 108 HB3 -0.01 0.07 -0.06 -0.04 1.79 1.74 2kv1A17 LYS 108 HG2 -0.01 0.02 0.03 -0.04 1.46 1.46 2kv1A17 LYS 108 HG3 -0.01 0.07 0.07 -0.04 1.46 1.54 2kv1A17 LYS 108 HD2 -0.02 -0.06 -0.05 -0.04 1.69 1.53 2kv1A17 LYS 108 HD3 -0.01 -0.03 0.04 -0.04 1.68 1.65 2kv1A17 LYS 108 HE2 -0.01 0.04 -0.00 -0.04 2.99 2.98 2kv1A17 LYS 108 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 2kv1A17 GLU 109 H -0.03 -0.04 -0.04 -0.55 8.60 7.95 2kv1A17 GLU 109 HA -0.02 0.17 0.40 -0.75 4.29 4.08 2kv1A17 GLU 109 HB2 -0.02 -0.04 0.09 -0.04 2.09 2.08 2kv1A17 GLU 109 HB3 -0.03 -0.02 0.03 -0.04 1.99 1.94 2kv1A17 GLU 109 HG2 -0.02 -0.00 -0.04 -0.04 2.34 2.23 2kv1A17 GLU 109 HG3 -0.02 0.07 0.06 -0.04 2.34 2.41 2kv1A17 ALA 110 H -0.03 -0.04 -0.06 -0.55 8.40 7.73 2kv1A17 ALA 110 HA -0.03 -0.03 0.29 -0.75 4.34 3.81 2kv1A17 ALA 110 HB3 -0.02 0.07 -0.06 -0.04 1.41 1.35 2kv1A17 ALA 111 H -0.02 0.34 -0.57 -0.55 8.40 7.60 2kv1A17 ALA 111 HA -0.02 -0.02 0.32 -0.75 4.34 3.88 2kv1A17 ALA 111 HB3 -0.02 -0.00 0.14 -0.04 1.41 1.48 2kv1A17 ALA 112 H -0.01 0.02 0.09 -0.55 8.40 7.94 2kv1A17 ALA 112 HA -0.01 -0.03 0.33 -0.75 4.34 3.88 2kv1A17 ALA 112 HB3 -0.01 0.04 0.20 -0.04 1.41 1.59 2kv1A17 SER 113 H -0.01 0.09 -0.00 -0.55 8.46 7.99 2kv1A17 SER 113 HA -0.02 0.23 0.59 -0.75 4.49 4.54 2kv1A17 SER 113 HB2 -0.01 0.01 0.15 -0.04 3.95 4.06 2kv1A17 SER 113 HB3 -0.01 0.10 -0.10 -0.04 3.93 3.88 2kv1A17 GLN 114 H -0.02 0.18 0.03 -0.55 8.47 8.11 2kv1A17 GLN 114 HA -0.01 0.13 0.67 -0.75 4.36 4.39 2kv1A17 GLN 114 HB2 -0.02 -0.03 0.12 -0.04 2.15 2.18 2kv1A17 GLN 114 HB3 -0.03 0.05 -0.05 -0.04 2.02 1.95 2kv1A17 GLN 114 HG2 -0.00 0.02 -0.00 -0.04 2.40 2.38 2kv1A17 GLN 114 HG3 0.00 0.05 0.02 -0.04 2.39 2.42 2kv1A17 GLN 114 HE21 0.00 0.05 -0.03 -0.04 6.97 6.95 2kv1A17 GLN 114 HE22 -0.00 -0.01 -0.07 -0.04 7.69 7.56 2kv1A17 GLY 115 H -0.02 0.26 0.22 -0.55 8.43 8.34 2kv1A17 GLY 115 HA2 -0.21 0.03 0.37 -0.51 4.01 3.70 2kv1A17 GLY 115 HA3 -0.09 0.11 0.37 -0.51 4.01 3.88 2kv1A17 HIS 116 H -0.32 0.29 0.18 -0.55 8.41 8.01 2kv1A17 HIS 116 HA -0.03 0.11 0.59 -0.75 4.63 4.55 2kv1A17 HIS 116 HB2 -0.04 0.02 0.01 -0.04 3.26 3.21 2kv1A17 HIS 116 HB3 -0.03 0.09 -0.01 -0.04 3.20 3.22 2kv1A17 HIS 116 HD2 -0.02 0.02 -0.13 -0.04 6.97 6.79 2kv1A17 HIS 116 HE1 -0.02 0.01 -0.03 -0.04 7.75 7.67 2kv1A17 LEU 117 H 0.04 0.26 0.14 -0.55 8.37 8.27 2kv1A17 LEU 117 HA 0.03 0.12 0.75 -0.75 4.35 4.49 2kv1A17 LEU 117 HB2 -0.00 -0.01 0.12 -0.04 1.64 1.70 2kv1A17 LEU 117 HB3 0.00 0.04 0.01 -0.04 1.64 1.65 2kv1A17 LEU 117 HG 0.01 0.01 -0.02 -0.04 1.64 1.59 2kv1A17 LEU 117 HD13 0.00 0.04 0.05 -0.04 0.93 0.98 2kv1A17 LEU 117 HD23 -0.01 0.01 -0.27 -0.04 0.89 0.58 2kv1A17 GLU 118 H -0.01 0.20 0.13 -0.55 8.60 8.37 2kv1A17 GLU 118 HA -0.34 0.16 0.77 -0.75 4.29 4.14 2kv1A17 GLU 118 HB2 -0.12 0.04 0.02 -0.04 2.09 1.98 2kv1A17 GLU 118 HB3 -0.10 -0.00 -0.31 -0.04 1.99 1.54 2kv1A17 GLU 118 HG2 -0.02 0.02 -0.17 -0.04 2.34 2.13 2kv1A17 GLU 118 HG3 -0.04 0.03 -0.09 -0.04 2.34 2.19 2kv1A17 HIS 119 H -0.23 0.27 0.20 -0.55 8.41 8.09 2kv1A17 HIS 119 HA -0.15 0.10 0.78 -0.75 4.63 4.59 2kv1A17 HIS 119 HB2 -0.78 -0.04 -0.08 -0.04 3.26 2.32 2kv1A17 HIS 119 HB3 -0.13 0.08 -0.27 -0.04 3.20 2.84 2kv1A17 HIS 119 HD2 0.09 0.01 -0.11 -0.04 6.97 6.92 2kv1A17 HIS 119 HE1 -0.01 0.01 -0.00 -0.04 7.75 7.70 2kv1A17 HIS 120 H -0.17 0.02 0.15 -0.55 8.41 7.87 2kv1A17 HIS 120 HA -0.05 0.17 0.76 -0.75 4.63 4.76 2kv1A17 HIS 120 HB2 -0.04 -0.02 -0.02 -0.04 3.26 3.14 2kv1A17 HIS 120 HB3 -0.05 -0.03 0.16 -0.04 3.20 3.24 2kv1A17 HIS 120 HD2 -0.03 0.16 -0.04 -0.04 6.97 7.01 2kv1A17 HIS 120 HE1 -0.04 -0.03 0.00 -0.04 7.75 7.63 2kv1A17 HIS 121 H -0.04 -0.04 0.19 -0.55 8.41 7.97 2kv1A17 HIS 121 HA 0.08 0.05 0.34 -0.75 4.63 4.35 2kv1A17 HIS 121 HB2 -0.05 0.16 0.19 -0.04 3.26 3.52 2kv1A17 HIS 121 HB3 0.02 -0.08 0.22 -0.04 3.20 3.32 2kv1A17 HIS 121 HD2 -0.24 0.07 -0.14 -0.04 6.97 6.62 2kv1A17 HIS 121 HE1 0.07 0.04 0.00 -0.04 7.75 7.82 2kv1A17 HIS 122 H 0.20 0.02 0.14 -0.55 8.41 8.23 2kv1A17 HIS 122 HA 0.01 -0.02 0.32 -0.75 4.63 4.19 2kv1A17 HIS 122 HB2 -0.10 0.05 -0.26 -0.04 3.26 2.90 2kv1A17 HIS 122 HB3 -0.07 0.14 0.08 -0.04 3.20 3.31 2kv1A17 HIS 122 HD2 -0.06 -0.02 0.03 -0.04 6.97 6.88 2kv1A17 HIS 122 HE1 -0.08 0.04 -0.02 -0.04 7.75 7.65 2kv1A17 HIS 123 H -0.16 0.12 0.04 -0.55 8.41 7.87 2kv1A17 HIS 123 HA 0.14 0.13 0.01 -0.75 4.63 4.15 2kv1A17 HIS 123 HB2 0.09 0.08 0.06 -0.04 3.26 3.46 2kv1A17 HIS 123 HB3 0.18 -0.08 0.07 -0.04 3.20 3.33 2kv1A17 HIS 123 HD2 0.09 -0.03 -0.18 -0.04 6.97 6.80 2kv1A17 HIS 123 HE1 0.05 -0.02 0.00 -0.04 7.75 7.74 2kv1A17 HIS 124 H -0.10 0.04 0.08 -0.55 8.41 7.88 2kv1A17 HIS 124 HA 0.10 0.25 0.37 -0.75 4.63 4.59 2kv1A17 HIS 124 HB2 0.04 0.05 0.03 -0.04 3.26 3.35 2kv1A17 HIS 124 HB3 0.10 0.02 -0.09 -0.04 3.20 3.18 2kv1A17 HIS 124 HD2 -0.00 -0.01 0.03 -0.04 6.97 6.94 2kv1A17 HIS 124 HE1 -0.03 0.02 0.01 -0.04 7.75 7.71