#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx1 s SER 4 N 0.00 0.35 -0.03 1.67 1.04 -1.26 -4.66 113.70 110.82 3kx1 s SER 4 Ca 0.00 -0.84 -0.06 0.00 0.48 0.00 0.00 55.95 55.53 3kx1 s SER 4 Cb 0.00 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.36 3kx1 s SER 4 CO 0.00 -0.61 0.14 0.54 0.98 0.00 0.00 173.24 174.29 3kx1 s VAL 5 N -3.67 0.04 -0.22 5.02 0.11 -0.26 -4.98 120.40 116.44 3kx1 s VAL 5 Ca 0.04 -0.36 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 3kx1 s VAL 5 Cb 0.06 -0.33 0.07 0.00 -1.53 0.00 0.00 36.38 34.65 3kx1 s VAL 5 CO -0.09 -0.20 0.05 -0.62 -3.33 0.00 0.00 175.10 170.91 3kx1 s ASP 6 N -0.67 3.13 0.22 3.54 2.15 -1.26 -1.47 116.67 122.31 3kx1 s ASP 6 Ca -0.08 -0.98 0.25 0.00 0.43 0.00 0.00 52.55 52.18 3kx1 s ASP 6 Cb -0.05 -0.63 0.88 0.00 -0.30 0.00 0.00 42.92 42.82 3kx1 s ASP 6 CO 0.01 -0.33 1.76 -1.22 -0.17 0.00 0.00 175.17 175.21 3kx1 n TYR 7 N 5.02 0.86 -0.08 -5.34 4.01 -0.25 -2.64 117.16 118.75 3kx1 n TYR 7 Ca -0.08 0.28 -0.02 0.00 -0.16 0.00 0.00 57.90 57.93 3kx1 n TYR 7 Cb 0.46 -0.96 0.24 0.00 -0.31 0.00 0.00 39.34 38.77 3kx1 n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kx1 h ARG 8 N 0.00 0.71 0.00 -0.72 3.08 -1.93 -1.50 114.38 114.02 3kx1 h ARG 8 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3kx1 h ARG 8 Cb 0.59 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3kx1 h ARG 8 CO 0.00 0.66 0.00 0.87 -1.07 0.00 0.00 179.97 180.43 3kx1 h LYS 9 N 0.68 0.00 -0.05 0.04 1.57 -1.90 -3.26 116.57 113.65 3kx1 h LYS 9 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3kx1 h LYS 9 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3kx1 h LYS 9 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 3kx1 n LYS 10 N -2.95 2.07 -1.07 3.15 5.02 -0.61 -4.95 118.16 118.80 3kx1 n LYS 10 Ca 0.00 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.46 3kx1 n LYS 10 Cb 0.26 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3kx1 n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kx1 n GLY 11 N 1.24 0.40 0.31 0.72 0.00 -1.09 -4.95 105.19 101.82 3kx1 n GLY 11 Ca 0.13 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.22 3kx1 n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kx1 n TYR 12 N -3.07 0.00 -4.27 1.61 4.02 -0.92 -4.74 117.16 109.78 3kx1 n TYR 12 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 3kx1 n TYR 12 Cb 0.05 -0.09 -0.17 0.00 -0.02 0.00 0.00 39.34 39.11 3kx1 n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kx1 s VAL 13 N -2.50 1.32 0.83 -0.72 1.01 -1.26 -3.19 120.40 115.90 3kx1 s VAL 13 Ca 0.23 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 3kx1 s VAL 13 Cb 0.19 -1.24 0.10 0.00 0.00 0.00 0.00 36.38 35.42 3kx1 s VAL 13 CO 0.54 0.41 1.20 0.42 0.00 0.00 0.00 175.10 177.66 3kx1 s THR 14 N 1.18 2.00 0.82 3.92 -4.23 -1.26 -4.94 115.64 113.14 3kx1 s THR 14 Ca -0.03 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.35 3kx1 s THR 14 Cb -0.14 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.80 3kx1 s THR 14 CO -0.04 0.00 1.18 -2.84 -0.54 0.00 0.00 174.62 172.38 3kx1 s PRO 15 N -5.62 1.58 0.31 3.99 0.02 -1.26 -4.94 135.00 129.08 3kx1 s PRO 15 Ca 0.64 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 63.01 3kx1 s PRO 15 Cb -0.10 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.53 3kx1 s PRO 15 CO 0.50 -2.24 1.51 0.08 -0.33 0.00 0.00 177.00 176.52 3kx1 s VAL 16 N -2.33 2.21 0.37 3.83 1.01 -1.26 -5.03 120.40 119.19 3kx1 s VAL 16 Ca 0.70 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.96 3kx1 s VAL 16 Cb -0.26 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3kx1 s VAL 16 CO 0.52 0.04 0.15 -0.54 0.00 0.00 0.00 175.10 175.26 3kx1 s LYS 17 N -1.06 2.29 -0.24 2.72 -0.14 -1.26 -4.60 119.74 117.45 3kx1 s LYS 17 Ca 0.58 -1.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.53 3kx1 s LYS 17 Cb -0.46 -2.09 0.07 0.00 -1.68 0.00 0.00 37.83 33.67 3kx1 s LYS 17 CO 0.52 0.03 -0.03 1.21 -0.76 0.00 0.00 175.35 176.33 3kx1 s ASN 18 N -3.86 3.81 0.39 2.83 3.84 -1.26 -0.92 114.94 119.77 3kx1 s ASN 18 Ca 0.39 -1.23 0.28 0.00 0.21 0.00 0.00 52.86 52.51 3kx1 s ASN 18 Cb -0.00 -1.11 1.20 0.00 -0.55 0.00 0.00 41.25 40.78 3kx1 s ASN 18 CO 0.22 -0.27 1.84 0.06 -2.79 0.00 0.00 177.10 176.17 3kx1 h GLN 19 N 7.98 0.00 0.00 0.43 3.07 -1.63 -3.47 115.11 121.49 3kx1 h GLN 19 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.57 3kx1 h GLN 19 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 3kx1 h GLN 19 CO 0.41 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.74 3kx1 n GLY 20 N -0.09 0.69 0.00 0.06 0.00 -1.26 -3.30 105.19 101.29 3kx1 n GLY 20 Ca 0.01 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.36 3kx1 n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kx1 n GLN 21 N 0.94 0.15 -3.13 1.61 -0.06 -1.26 -4.83 117.38 110.80 3kx1 n GLN 21 Ca 0.00 0.17 -0.39 0.00 -2.00 0.00 0.00 57.00 54.78 3kx1 n GLN 21 Cb 0.00 -1.50 -0.06 0.00 -4.06 0.00 0.00 30.24 24.62 3kx1 n GLN 21 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kx1 n GLY 23 N 1.86 3.02 0.61 0.00 0.00 0.11 -4.44 105.19 106.35 3kx1 n GLY 23 Ca -0.07 -0.99 0.06 0.00 0.00 0.00 0.00 46.02 45.01 3kx1 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kx1 n SER 24 N 3.32 2.96 -0.33 1.61 3.41 -1.26 -2.22 113.62 121.12 3kx1 n SER 24 Ca 0.45 -2.13 0.24 0.00 -0.26 0.00 0.00 58.87 57.16 3kx1 n SER 24 Cb 0.41 -0.25 0.45 0.00 -0.26 0.00 0.00 64.21 64.56 3kx1 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kx1 h TRP 26 N 0.06 0.75 -0.13 0.00 5.08 -1.82 0.79 115.95 120.67 3kx1 h TRP 26 Ca 0.73 0.02 -0.19 0.00 1.08 0.00 0.00 58.89 60.53 3kx1 h TRP 26 Cb 1.75 -0.25 -0.00 0.00 -3.00 0.00 0.00 29.16 27.66 3kx1 h TRP 26 CO -0.19 0.44 -0.69 0.00 -1.28 0.00 0.00 178.44 176.72 3kx1 h ALA 27 N 1.62 0.54 -0.29 0.11 0.00 -0.68 -1.14 119.26 119.41 3kx1 h ALA 27 Ca 0.25 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3kx1 h ALA 27 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kx1 h ALA 27 CO -0.07 0.72 -0.24 0.74 0.00 0.00 0.00 179.25 180.40 3kx1 h PHE 28 N 0.40 0.80 0.03 0.00 0.04 -0.94 -1.08 116.94 116.19 3kx1 h PHE 28 Ca -0.03 -0.23 0.03 0.00 2.80 0.00 0.00 57.97 60.55 3kx1 h PHE 28 Cb 1.27 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 39.20 3kx1 h PHE 28 CO 0.06 0.95 -0.37 1.03 -0.60 0.00 0.00 178.31 179.38 3kx1 h SER 29 N 0.42 -1.11 -0.02 2.17 0.87 -0.85 -0.68 113.55 114.35 3kx1 h SER 29 Ca 0.05 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 3kx1 h SER 29 Cb 0.79 0.44 -0.03 0.00 -0.44 0.00 0.00 62.40 63.16 3kx1 h SER 29 CO 0.06 -0.43 -0.16 0.28 -0.53 0.00 0.00 176.83 176.05 3kx1 h SER 30 N -0.54 -0.48 -0.59 6.23 0.02 -1.14 -1.69 113.55 115.35 3kx1 h SER 30 Ca 0.05 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3kx1 h SER 30 Cb 0.62 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 3kx1 h SER 30 CO -0.28 -0.22 0.38 -0.37 -1.14 0.00 0.00 176.83 175.20 3kx1 h VAL 31 N -0.26 1.16 -0.29 2.27 -1.51 -1.15 -0.02 116.25 116.46 3kx1 h VAL 31 Ca 0.06 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 65.19 3kx1 h VAL 31 Cb 0.34 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 29.78 3kx1 h VAL 31 CO -0.17 0.16 0.10 1.23 -1.23 0.00 0.00 177.57 177.66 3kx1 h GLY 32 N 0.83 0.47 0.98 5.19 0.00 -0.85 0.20 103.07 109.88 3kx1 h GLY 32 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3kx1 h GLY 32 CO -0.04 0.26 0.24 0.00 0.00 0.00 0.00 176.54 176.99 3kx1 h ALA 33 N 0.93 0.71 -0.55 3.60 0.00 -1.02 -2.40 119.26 120.53 3kx1 h ALA 33 Ca 0.09 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kx1 h ALA 33 Cb 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3kx1 h ALA 33 CO -0.00 0.30 0.28 -0.07 0.00 0.00 0.00 179.25 179.75 3kx1 h LEU 34 N 0.74 0.40 -0.09 0.00 3.38 -0.84 -2.69 115.31 116.21 3kx1 h LEU 34 Ca 0.19 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3kx1 h LEU 34 Cb 0.16 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kx1 h LEU 34 CO -0.02 0.27 -0.06 -0.33 0.09 0.00 0.00 178.44 178.39 3kx1 h GLU 35 N 0.53 -0.06 -0.67 1.13 5.08 -0.49 -0.28 114.58 119.82 3kx1 h GLU 35 Ca 0.25 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 3kx1 h GLU 35 Cb 0.16 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.31 3kx1 h GLU 35 CO -0.17 -0.04 -0.02 0.78 -1.00 0.00 0.00 179.01 178.56 3kx1 h GLY 36 N -0.06 0.69 1.75 -3.84 0.00 -1.39 -1.97 103.07 98.25 3kx1 h GLY 36 Ca 0.06 0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.36 3kx1 h GLY 36 CO -0.13 -0.24 -0.56 1.46 0.00 0.00 0.00 176.54 177.08 3kx1 h GLN 37 N 0.10 0.27 -0.98 4.80 1.08 -1.01 -0.34 115.11 119.02 3kx1 h GLN 37 Ca 0.35 -0.17 0.07 0.00 -1.45 0.00 0.00 58.65 57.45 3kx1 h GLN 37 Cb 0.58 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.97 3kx1 h GLN 37 CO -0.60 0.75 0.63 1.25 -0.95 0.00 0.00 178.83 179.91 3kx1 h LEU 38 N 0.20 1.00 -0.06 1.46 5.85 -0.70 0.08 115.31 123.14 3kx1 h LEU 38 Ca 0.00 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 3kx1 h LEU 38 Cb 1.04 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.88 3kx1 h LEU 38 CO 0.09 0.64 -0.66 0.50 -0.34 0.00 0.00 178.44 178.67 3kx1 h LYS 39 N 1.14 0.56 -0.54 1.25 1.63 -0.85 -1.46 116.57 118.30 3kx1 h LYS 39 Ca 0.42 -0.51 0.05 0.00 -0.85 0.00 0.00 60.65 59.76 3kx1 h LYS 39 Cb 0.17 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.88 3kx1 h LYS 39 CO -0.17 1.14 0.28 -0.22 -3.45 0.00 0.00 179.45 177.02 3kx1 h LYS 40 N 0.16 0.52 0.25 1.90 1.63 -0.85 -0.29 116.57 119.89 3kx1 h LYS 40 Ca -0.06 -0.03 -0.34 0.00 -0.85 0.00 0.00 60.65 59.37 3kx1 h LYS 40 Cb 1.32 -0.12 0.04 0.00 -0.60 0.00 0.00 32.23 32.87 3kx1 h LYS 40 CO 0.13 0.34 -1.49 -0.22 -3.45 0.00 0.00 179.45 174.76 3kx1 h LYS 41 N 0.53 0.53 0.00 1.90 3.64 -1.00 -3.40 116.57 118.77 3kx1 h LYS 41 Ca 0.24 -0.91 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 3kx1 h LYS 41 Cb 0.15 0.34 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3kx1 h LYS 41 CO -0.17 1.44 -0.87 0.25 -2.27 0.00 0.00 179.45 177.83 3kx1 n THR 42 N -3.71 0.00 -0.34 1.00 -2.24 -0.55 -5.01 114.28 103.43 3kx1 n THR 42 Ca -0.17 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3kx1 n THR 42 Cb 1.11 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 3kx1 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kx1 n GLY 43 N 1.57 2.02 3.05 3.38 0.00 -0.12 -5.02 105.19 110.07 3kx1 n GLY 43 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3kx1 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kx1 s LYS 44 N -0.10 0.49 0.37 1.61 -2.85 -1.26 -4.97 119.74 113.03 3kx1 s LYS 44 Ca 0.00 -0.97 0.04 0.00 -1.00 0.00 0.00 55.97 54.04 3kx1 s LYS 44 Cb 0.00 0.17 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 3kx1 s LYS 44 CO 0.00 -0.08 0.13 1.47 0.10 0.00 0.00 175.35 176.97 3kx1 n LEU 45 N 0.72 0.00 -3.50 2.77 -0.00 -1.26 -3.29 117.00 112.44 3kx1 n LEU 45 Ca -0.18 -2.83 -0.12 0.00 -0.00 0.00 0.00 56.01 52.88 3kx1 n LEU 45 Cb 0.59 0.93 -0.03 0.00 -0.00 0.00 0.00 43.42 44.90 3kx1 n LEU 45 CO 0.25 -0.44 0.32 -1.48 -0.00 0.00 0.00 177.39 176.04 3kx1 s LEU 46 N 0.00 -0.26 -0.00 1.47 2.34 -1.26 -5.05 118.68 115.93 3kx1 s LEU 46 Ca 0.18 -0.00 -0.35 0.00 0.06 0.00 0.00 54.13 54.02 3kx1 s LEU 46 Cb 0.01 2.33 -0.14 0.00 -0.56 0.00 0.00 46.19 47.83 3kx1 s LEU 46 CO 0.13 -0.88 1.67 0.59 -1.06 0.00 0.00 176.35 176.80 3kx1 n ASN 47 N -0.13 2.88 -4.99 1.48 3.02 -1.26 -4.86 115.26 111.41 3kx1 n ASN 47 Ca -0.17 1.05 -0.19 0.00 -0.03 0.00 0.00 54.58 55.24 3kx1 n ASN 47 Cb 0.63 -1.33 -0.01 0.00 -0.61 0.00 0.00 39.78 38.47 3kx1 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kx1 s LEU 48 N 2.31 4.01 -0.60 3.41 1.43 -1.26 -1.09 118.68 126.88 3kx1 s LEU 48 Ca 0.87 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.62 3kx1 s LEU 48 Cb -0.78 -2.78 0.07 0.00 0.03 0.00 0.00 46.19 42.72 3kx1 s LEU 48 CO 0.48 -0.40 0.87 -0.55 0.23 0.00 0.00 176.35 176.98 3kx1 s SER 49 N -4.15 6.22 0.43 2.29 0.15 -0.72 -4.06 113.70 113.86 3kx1 s SER 49 Ca 0.44 -0.88 0.15 0.00 0.70 0.00 0.00 55.95 56.36 3kx1 s SER 49 Cb -0.09 -2.39 1.05 0.00 -1.71 0.00 0.00 66.02 62.88 3kx1 s SER 49 CO 0.31 -1.26 1.94 1.55 1.20 0.00 0.00 173.24 176.98 3kx1 h PRO 50 N 9.36 0.40 -0.24 5.44 0.13 -1.86 -3.17 132.00 142.05 3kx1 h PRO 50 Ca -0.28 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.74 3kx1 h PRO 50 Cb 1.08 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3kx1 h PRO 50 CO 1.11 0.26 -0.20 0.37 -0.23 0.00 0.00 178.00 179.32 3kx1 h GLN 51 N 0.41 0.56 -0.88 0.86 5.75 -1.86 -0.95 115.11 118.99 3kx1 h GLN 51 Ca 0.34 -0.28 0.22 0.00 -0.15 0.00 0.00 58.65 58.78 3kx1 h GLN 51 Cb 0.77 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 29.16 3kx1 h GLN 51 CO -0.10 0.86 -0.01 -0.97 -2.65 0.00 0.00 178.83 175.96 3kx1 h ASN 52 N 0.27 -0.46 -0.05 -0.69 -0.00 -1.78 0.35 115.58 113.22 3kx1 h ASN 52 Ca 0.04 0.24 -0.02 0.00 -0.00 0.00 0.00 56.30 56.57 3kx1 h ASN 52 Cb 0.74 0.43 -0.00 0.00 -0.00 0.00 0.00 38.32 39.49 3kx1 h ASN 52 CO 0.05 -0.27 -0.04 -0.07 -0.00 0.00 0.00 177.43 177.11 3kx1 h LEU 53 N 0.06 0.13 -0.44 0.34 3.38 -1.45 -0.76 115.31 116.56 3kx1 h LEU 53 Ca 0.50 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3kx1 h LEU 53 Cb 0.94 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 3kx1 h LEU 53 CO -0.81 0.55 0.07 0.58 0.09 0.00 0.00 178.44 178.91 3kx1 h VAL 54 N -0.29 0.74 0.00 1.22 2.07 -0.98 -2.21 116.25 116.80 3kx1 h VAL 54 Ca 0.01 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 3kx1 h VAL 54 Cb 0.50 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3kx1 h VAL 54 CO 0.01 0.03 -0.73 0.44 0.02 0.00 0.00 177.57 177.35 3kx1 h ASP 55 N 0.19 0.00 0.00 0.57 3.32 -0.97 -3.39 116.42 116.14 3kx1 h ASP 55 Ca 0.22 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3kx1 h ASP 55 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3kx1 h ASP 55 CO -0.30 0.73 -1.51 0.00 -1.72 0.00 0.00 179.24 176.43 3kx1 s VAL 57 N -2.62 3.84 0.39 0.00 1.01 -0.85 -4.85 120.40 117.33 3kx1 s VAL 57 Ca -0.04 -0.92 0.21 0.00 0.00 0.00 0.00 61.98 61.23 3kx1 s VAL 57 Cb 0.06 -4.86 0.22 0.00 0.00 0.00 0.00 36.38 31.80 3kx1 s VAL 57 CO 0.42 -1.71 1.97 0.77 0.00 0.00 0.00 175.10 176.56 3kx1 h SER 58 N 9.65 0.00 0.73 3.32 4.64 -1.88 -1.88 113.55 128.13 3kx1 h SER 58 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3kx1 h SER 58 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3kx1 h SER 58 CO 1.38 0.20 0.00 -0.62 -0.87 0.00 0.00 176.83 176.93 3kx1 n GLU 59 N -3.86 0.14 -2.79 4.77 1.02 -1.26 -4.75 120.64 113.90 3kx1 n GLU 59 Ca -0.02 0.35 -0.19 0.00 -0.02 0.00 0.00 57.16 57.28 3kx1 n GLU 59 Cb 0.30 -1.76 0.07 0.00 -0.02 0.00 0.00 31.44 30.03 3kx1 n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kx1 n ASN 60 N -2.02 1.87 -1.11 1.62 5.03 -0.71 -4.92 115.26 115.01 3kx1 n ASN 60 Ca 0.03 -2.39 -0.02 0.00 0.87 0.00 0.00 54.58 53.07 3kx1 n ASN 60 Cb 0.23 -0.44 0.21 0.00 -1.02 0.00 0.00 39.78 38.76 3kx1 n ASN 60 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3kx1 n ASP 61 N -2.46 2.67 0.00 6.41 2.03 0.62 -5.01 116.55 120.80 3kx1 n ASP 61 Ca 0.16 -3.66 0.00 0.00 0.52 0.00 0.00 54.79 51.81 3kx1 n ASP 61 Cb 0.56 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 3kx1 n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kx1 n GLY 62 N -1.05 2.11 0.00 0.27 0.00 -1.24 -0.21 105.19 105.07 3kx1 n GLY 62 Ca 0.31 0.41 0.15 0.00 0.00 0.00 0.00 46.02 46.90 3kx1 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kx1 n GLY 64 N 0.97 3.62 0.00 0.00 0.00 0.71 0.05 105.19 110.54 3kx1 n GLY 64 Ca 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3kx1 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kx1 n GLY 65 N -0.07 1.27 0.00 -0.02 0.00 -0.94 -4.78 105.19 100.64 3kx1 n GLY 65 Ca 0.37 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3kx1 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kx1 n GLY 66 N 1.48 1.26 3.81 -0.02 0.00 -1.26 -0.27 105.19 110.19 3kx1 n GLY 66 Ca 0.00 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 3kx1 n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kx1 s TYR 67 N -2.00 3.40 0.13 1.61 1.51 -1.26 -4.73 117.35 116.01 3kx1 s TYR 67 Ca 0.00 0.32 -0.15 0.00 -1.01 0.00 0.00 57.07 56.23 3kx1 s TYR 67 Cb 0.00 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 3kx1 s TYR 67 CO 0.00 0.61 1.63 0.52 -1.11 0.00 0.00 175.55 177.20 3kx1 h MET 68 N 4.45 0.70 -0.90 -0.62 2.86 -1.96 -3.04 114.93 116.43 3kx1 h MET 68 Ca -0.51 -0.18 0.16 0.00 -2.06 0.00 0.00 59.70 57.11 3kx1 h MET 68 Cb 1.20 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.67 3kx1 h MET 68 CO 0.61 0.72 0.49 1.79 1.06 0.00 0.00 176.91 181.58 3kx1 h THR 69 N 0.57 0.72 -0.72 2.22 1.35 -1.96 0.11 112.91 115.21 3kx1 h THR 69 Ca 0.13 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.74 3kx1 h THR 69 Cb 0.34 -0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.72 3kx1 h THR 69 CO 0.00 0.12 0.35 0.78 -0.25 0.00 0.00 175.52 176.53 3kx1 h ASN 70 N 0.67 0.91 -0.55 5.36 -0.26 -1.97 -1.56 115.58 118.19 3kx1 h ASN 70 Ca 0.50 -0.09 -0.09 0.00 -0.56 0.00 0.00 56.30 56.06 3kx1 h ASN 70 Cb 0.72 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 3kx1 h ASN 70 CO -0.37 0.77 0.00 0.00 -1.06 0.00 0.00 177.43 176.77 3kx1 h ALA 71 N 1.38 0.74 -0.44 -0.83 0.00 -0.72 -0.47 119.26 118.92 3kx1 h ALA 71 Ca 0.25 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3kx1 h ALA 71 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kx1 h ALA 71 CO -0.03 0.56 0.01 0.74 0.00 0.00 0.00 179.25 180.53 3kx1 h PHE 72 N 0.85 0.84 -0.56 0.00 0.04 -1.02 -1.29 116.94 115.80 3kx1 h PHE 72 Ca 0.16 -0.14 0.03 0.00 2.80 0.00 0.00 57.97 60.81 3kx1 h PHE 72 Cb 0.54 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 3kx1 h PHE 72 CO 0.04 0.82 0.34 1.96 -0.60 0.00 0.00 178.31 180.87 3kx1 h GLN 73 N 0.62 0.64 -0.27 1.51 4.20 -1.22 -2.09 115.11 118.51 3kx1 h GLN 73 Ca 0.13 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.80 3kx1 h GLN 73 Cb 0.48 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3kx1 h GLN 73 CO 0.02 0.43 0.17 -0.92 -0.67 0.00 0.00 178.83 177.85 3kx1 h TYR 74 N 0.66 0.32 -0.70 2.96 3.20 -0.85 -1.93 116.97 120.63 3kx1 h TYR 74 Ca 0.23 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3kx1 h TYR 74 Cb 0.03 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3kx1 h TYR 74 CO -0.06 0.19 0.31 0.28 -1.64 0.00 0.00 178.16 177.24 3kx1 h VAL 75 N 0.35 1.23 0.40 1.81 2.07 -0.78 0.25 116.25 121.57 3kx1 h VAL 75 Ca 0.10 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3kx1 h VAL 75 Cb -0.02 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kx1 h VAL 75 CO -0.04 0.28 -0.26 -0.61 0.02 0.00 0.00 177.57 176.97 3kx1 h GLN 76 N 0.99 -0.60 -0.90 1.57 4.15 -1.34 -1.25 115.11 117.73 3kx1 h GLN 76 Ca 0.24 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.77 3kx1 h GLN 76 Cb 0.14 0.14 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 3kx1 h GLN 76 CO -0.03 -0.40 0.56 -0.22 -1.93 0.00 0.00 178.83 176.82 3kx1 h LYS 77 N -0.62 0.97 0.00 1.69 3.64 -1.27 -2.18 116.57 118.80 3kx1 h LYS 77 Ca -0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3kx1 h LYS 77 Cb 0.50 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3kx1 h LYS 77 CO 0.05 0.64 0.00 -0.97 -2.27 0.00 0.00 179.45 176.90 3kx1 h ASN 78 N 1.00 0.00 -1.25 4.20 -1.24 -0.52 -3.47 115.58 114.30 3kx1 h ASN 78 Ca 0.40 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 57.12 3kx1 h ASN 78 Cb 0.22 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.20 3kx1 h ASN 78 CO -0.19 0.00 -0.31 0.54 -1.29 0.00 0.00 177.43 176.18 3kx1 n ARG 79 N -2.68 -1.07 0.00 6.67 1.74 -0.78 -4.94 116.66 115.60 3kx1 n ARG 79 Ca 0.01 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 3kx1 n ARG 79 Cb 0.23 -5.08 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 3kx1 n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kx1 n GLY 80 N -1.12 2.14 2.94 -0.13 0.00 -0.54 -4.88 105.19 103.59 3kx1 n GLY 80 Ca -0.16 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 3kx1 n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kx1 s ILE 81 N -2.00 0.40 0.74 -0.61 2.07 -0.87 -4.66 121.20 116.26 3kx1 s ILE 81 Ca 0.00 -0.18 -0.11 0.00 -1.41 0.00 0.00 60.65 58.95 3kx1 s ILE 81 Cb 0.00 -0.36 0.04 0.00 0.13 0.00 0.00 42.46 42.27 3kx1 s ILE 81 CO 0.00 0.13 1.09 -1.81 -1.91 0.00 0.00 174.94 172.43 3kx1 s ASP 82 N 0.09 4.79 0.73 4.50 1.01 -1.26 -1.31 116.67 125.22 3kx1 s ASP 82 Ca -0.01 1.80 -0.11 0.00 0.71 0.00 0.00 52.55 54.95 3kx1 s ASP 82 Cb -0.04 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.39 3kx1 s ASP 82 CO -0.00 -1.84 1.07 -0.94 0.21 0.00 0.00 175.17 173.66 3kx1 s SER 83 N -3.35 5.08 0.21 0.27 1.04 -0.78 -1.76 113.70 114.41 3kx1 s SER 83 Ca 0.61 1.56 -0.09 0.00 0.48 0.00 0.00 55.95 58.51 3kx1 s SER 83 Cb -0.17 -2.39 0.24 0.00 0.10 0.00 0.00 66.02 63.80 3kx1 s SER 83 CO 0.53 -1.63 1.82 -0.08 0.98 0.00 0.00 173.24 174.87 3kx1 h GLU 84 N -0.85 0.73 -0.40 4.02 4.57 -1.25 -0.86 114.58 120.54 3kx1 h GLU 84 Ca -0.45 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 57.61 3kx1 h GLU 84 Cb 1.23 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 3kx1 h GLU 84 CO 0.57 0.48 -0.09 -0.44 -1.18 0.00 0.00 179.01 178.36 3kx1 h ASP 85 N 0.75 0.67 0.38 1.04 3.32 -1.94 -1.84 116.42 118.81 3kx1 h ASP 85 Ca 0.30 -0.18 -0.20 0.00 0.02 0.00 0.00 57.03 56.96 3kx1 h ASP 85 Cb 0.14 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3kx1 h ASP 85 CO -0.16 0.80 -0.86 0.00 -1.72 0.00 0.00 179.24 177.30 3kx1 h ALA 86 N 1.27 0.48 -2.60 3.45 0.00 -1.84 -3.39 119.26 116.63 3kx1 h ALA 86 Ca 0.12 -0.68 -0.60 0.00 0.00 0.00 0.00 54.91 53.75 3kx1 h ALA 86 Cb 0.53 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.88 3kx1 h ALA 86 CO 0.03 0.83 -0.86 -0.47 0.00 0.00 0.00 179.25 178.78 3kx1 s TYR 87 N -3.36 1.67 0.67 0.00 6.14 -0.35 -4.97 117.35 117.15 3kx1 s TYR 87 Ca -0.05 -2.49 -0.11 0.00 0.64 0.00 0.00 57.07 55.06 3kx1 s TYR 87 Cb 0.10 -1.39 -0.01 0.00 0.42 0.00 0.00 41.96 41.07 3kx1 s TYR 87 CO 0.85 -0.76 1.05 -1.25 0.64 0.00 0.00 175.55 176.08 3kx1 s PRO 88 N -0.15 3.20 -0.17 4.97 0.04 -0.71 -4.49 135.00 137.69 3kx1 s PRO 88 Ca 0.28 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.84 3kx1 s PRO 88 Cb -0.03 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3kx1 s PRO 88 CO -0.15 -0.87 0.83 -0.47 0.04 0.00 0.00 177.00 176.38 3kx1 s TYR 89 N -3.16 3.42 -0.55 0.56 5.04 -1.26 -4.76 117.35 116.64 3kx1 s TYR 89 Ca 0.57 1.26 0.05 0.00 -2.44 0.00 0.00 57.07 56.51 3kx1 s TYR 89 Cb -0.12 -3.01 0.03 0.00 0.35 0.00 0.00 41.96 39.20 3kx1 s TYR 89 CO 0.54 -0.24 0.59 1.33 -1.34 0.00 0.00 175.55 176.43 3kx1 n VAL 90 N 4.72 0.00 -1.10 3.14 0.24 -1.26 -5.04 118.33 119.03 3kx1 n VAL 90 Ca 0.04 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.34 61.82 3kx1 n VAL 90 Cb 0.49 1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 33.93 3kx1 n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kx1 n GLY 91 N 0.38 0.59 3.22 7.63 0.00 -1.26 -5.00 105.19 110.75 3kx1 n GLY 91 Ca 0.03 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3kx1 n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kx1 s GLN 92 N -1.62 0.74 0.22 1.61 -2.07 -1.26 -4.43 119.66 112.84 3kx1 s GLN 92 Ca 0.00 -0.51 -0.30 0.00 -1.82 0.00 0.00 55.36 52.73 3kx1 s GLN 92 Cb 0.00 0.32 -0.08 0.00 -1.09 0.00 0.00 33.01 32.15 3kx1 s GLN 92 CO 0.00 -0.23 1.10 -2.00 -1.32 0.00 0.00 175.29 172.84 3kx1 s GLU 93 N -2.38 4.62 0.35 9.60 2.12 -1.26 -4.94 118.70 126.81 3kx1 s GLU 93 Ca -0.06 1.75 0.04 0.00 0.36 0.00 0.00 54.97 57.05 3kx1 s GLU 93 Cb -0.02 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 3kx1 s GLU 93 CO -0.02 0.14 0.16 -1.21 -0.54 0.00 0.00 175.26 173.78 3kx1 s GLU 94 N -0.78 1.75 0.56 4.30 0.41 -1.26 -5.08 118.70 118.60 3kx1 s GLU 94 Ca 0.47 -2.03 -0.20 0.00 -0.41 0.00 0.00 54.97 52.80 3kx1 s GLU 94 Cb -0.30 -0.28 -0.04 0.00 -1.78 0.00 0.00 34.13 31.72 3kx1 s GLU 94 CO 0.37 -0.48 1.23 -1.54 -0.49 0.00 0.00 175.26 174.36 3kx1 s SER 95 N -3.47 5.35 -0.03 -0.19 1.04 -1.26 -4.66 113.70 110.48 3kx1 s SER 95 Ca 0.32 2.46 -0.30 0.00 0.48 0.00 0.00 55.95 58.91 3kx1 s SER 95 Cb 0.04 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 3kx1 s SER 95 CO 0.18 -1.49 1.90 0.00 0.98 0.00 0.00 173.24 174.81 3kx1 n MET 97 N 7.59 1.88 -1.76 0.00 2.00 -1.26 -5.04 117.12 120.53 3kx1 n MET 97 Ca 0.20 -3.34 -0.41 0.00 0.00 0.00 0.00 57.70 54.15 3kx1 n MET 97 Cb 0.42 -1.52 -0.02 0.00 0.00 0.00 0.00 33.22 32.11 3kx1 n MET 97 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 3kx1 s TYR 98 N -2.83 2.74 -0.10 2.03 5.04 -1.26 -5.01 117.35 117.95 3kx1 s TYR 98 Ca 0.40 0.75 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 3kx1 s TYR 98 Cb 0.38 -4.09 0.02 0.00 0.35 0.00 0.00 41.96 38.62 3kx1 s TYR 98 CO -0.05 -3.68 -0.09 1.21 -1.34 0.00 0.00 175.55 171.59 3kx1 s ASN 99 N 0.53 2.04 0.26 4.32 3.84 -1.26 -5.02 114.94 119.65 3kx1 s ASN 99 Ca 0.64 -0.31 0.17 0.00 0.21 0.00 0.00 52.86 53.57 3kx1 s ASN 99 Cb -0.48 -0.84 0.90 0.00 -0.55 0.00 0.00 41.25 40.28 3kx1 s ASN 99 CO 0.48 -0.07 1.50 -0.81 -2.79 0.00 0.00 177.10 175.41 3kx1 n PRO 100 N 4.55 0.11 0.24 0.43 -0.04 -1.26 -1.00 135.00 138.03 3kx1 n PRO 100 Ca -0.16 0.60 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 3kx1 n PRO 100 Cb 0.51 -1.88 0.40 0.00 -0.04 0.00 0.00 33.50 32.49 3kx1 n PRO 100 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3kx1 h THR 101 N 0.00 0.14 -0.25 0.52 1.35 -2.02 -2.79 112.91 109.87 3kx1 h THR 101 Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3kx1 h THR 101 Cb 0.05 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3kx1 h THR 101 CO 0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 3kx1 n GLY 102 N 0.56 0.63 3.70 5.82 0.00 -0.17 -4.99 105.19 110.74 3kx1 n GLY 102 Ca 0.02 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3kx1 n GLY 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kx1 n LYS 103 N 0.58 2.68 0.00 1.61 4.81 -1.05 -1.87 118.16 124.92 3kx1 n LYS 103 Ca 0.16 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.57 3kx1 n LYS 103 Cb 0.38 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.59 3kx1 n LYS 103 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kx1 n ALA 104 N 4.75 1.44 -3.13 3.14 0.00 -0.43 -4.84 120.51 121.44 3kx1 n ALA 104 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 3kx1 n ALA 104 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 3kx1 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kx1 s ALA 105 N -1.00 -1.09 0.29 0.00 0.00 -1.20 -5.00 121.76 113.76 3kx1 s ALA 105 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.20 3kx1 s ALA 105 Cb 0.00 0.57 -0.06 0.00 0.00 0.00 0.00 23.12 23.64 3kx1 s ALA 105 CO 0.00 -0.59 0.05 0.15 0.00 0.00 0.00 175.76 175.37 3kx1 s LYS 106 N -3.24 1.53 -0.09 0.00 1.02 -1.26 -2.06 119.74 115.64 3kx1 s LYS 106 Ca -0.01 -1.82 -0.04 0.00 0.02 0.00 0.00 55.97 54.12 3kx1 s LYS 106 Cb 0.01 -0.69 0.04 0.00 -0.52 0.00 0.00 37.83 36.67 3kx1 s LYS 106 CO -0.08 -0.18 0.20 0.00 -0.92 0.00 0.00 175.35 174.37 3kx1 n ARG 108 N 4.10 2.21 0.00 0.00 1.85 -0.42 -3.85 116.66 120.55 3kx1 n ARG 108 Ca -0.25 -3.41 0.00 0.00 -1.00 0.00 0.00 57.85 53.19 3kx1 n ARG 108 Cb 0.53 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 3kx1 n ARG 108 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kx1 n GLY 109 N -1.03 0.66 3.38 2.89 0.00 -1.26 -4.84 105.19 104.99 3kx1 n GLY 109 Ca 0.36 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3kx1 n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kx1 s TYR 110 N -1.13 -0.42 0.02 1.61 1.13 -1.26 0.38 117.35 117.68 3kx1 s TYR 110 Ca 0.00 0.20 0.05 0.00 -1.41 0.00 0.00 57.07 55.91 3kx1 s TYR 110 Cb 0.00 0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 41.28 3kx1 s TYR 110 CO 0.00 -0.78 -0.15 1.03 -2.51 0.00 0.00 175.55 173.13 3kx1 s ARG 111 N -3.65 1.10 -0.18 -3.49 0.52 -0.53 -4.91 118.95 107.81 3kx1 s ARG 111 Ca 0.01 -0.71 -0.08 0.00 -0.52 0.00 0.00 55.73 54.43 3kx1 s ARG 111 Cb 0.00 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.31 3kx1 s ARG 111 CO -0.12 0.29 0.10 -2.00 0.02 0.00 0.00 175.30 173.59 3kx1 s GLU 112 N -0.88 3.96 0.25 3.54 2.56 -1.26 -1.69 118.70 125.18 3kx1 s GLU 112 Ca 0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 54.97 54.45 3kx1 s GLU 112 Cb -0.07 -3.28 -0.09 0.00 2.00 0.00 0.00 34.13 32.68 3kx1 s GLU 112 CO 0.01 0.37 1.32 0.42 -0.56 0.00 0.00 175.26 176.81 3kx1 s ILE 113 N 0.13 2.98 0.12 -3.70 1.09 0.05 -4.96 121.20 116.91 3kx1 s ILE 113 Ca 0.07 0.87 -0.35 0.00 -1.10 0.00 0.00 60.65 60.14 3kx1 s ILE 113 Cb -0.12 -3.55 -0.16 0.00 -1.06 0.00 0.00 42.46 37.57 3kx1 s ILE 113 CO -0.00 0.16 1.39 -0.81 -0.10 0.00 0.00 174.94 175.58 3kx1 n PRO 114 N 1.95 1.46 -1.67 2.79 -0.04 -1.26 -4.63 135.00 133.60 3kx1 n PRO 114 Ca 0.04 0.53 -0.44 0.00 -0.04 0.00 0.00 63.50 63.59 3kx1 n PRO 114 Cb 0.42 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 3kx1 n PRO 114 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kx1 n GLU 115 N 2.67 2.63 -0.69 0.54 2.13 -1.26 -1.90 120.64 124.75 3kx1 n GLU 115 Ca 0.17 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.96 3kx1 n GLU 115 Cb 0.23 -2.86 0.00 0.00 0.27 0.00 0.00 31.44 29.07 3kx1 n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kx1 n GLY 116 N 4.37 0.83 3.34 8.31 0.00 0.15 -4.95 105.19 117.24 3kx1 n GLY 116 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 3kx1 n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kx1 s ASN 117 N -2.93 6.41 0.30 1.61 3.84 -0.80 -4.83 114.94 118.55 3kx1 s ASN 117 Ca 0.00 -2.05 0.13 0.00 0.21 0.00 0.00 52.86 51.15 3kx1 s ASN 117 Cb 0.00 -2.24 0.45 0.00 -0.55 0.00 0.00 41.25 38.91 3kx1 s ASN 117 CO 0.00 -0.82 1.65 -0.33 -2.79 0.00 0.00 177.10 174.81 3kx1 h GLU 118 N 8.56 0.00 -0.37 0.43 5.08 -1.90 -2.18 114.58 124.20 3kx1 h GLU 118 Ca -0.13 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3kx1 h GLU 118 Cb 1.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 3kx1 h GLU 118 CO 0.96 0.54 0.12 -0.22 -1.00 0.00 0.00 179.01 179.41 3kx1 h LYS 119 N 0.00 0.26 -0.55 2.33 3.64 -1.98 -0.09 116.57 120.18 3kx1 h LYS 119 Ca -0.01 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3kx1 h LYS 119 Cb 1.03 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3kx1 h LYS 119 CO 0.07 0.17 0.06 0.00 -2.27 0.00 0.00 179.45 177.48 3kx1 h ALA 120 N 1.24 0.73 -0.72 5.00 0.00 -1.87 -1.52 119.26 122.13 3kx1 h ALA 120 Ca 0.17 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kx1 h ALA 120 Cb 0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3kx1 h ALA 120 CO -0.18 0.51 0.43 1.25 0.00 0.00 0.00 179.25 181.26 3kx1 h LEU 121 N 0.82 0.67 -0.67 0.00 5.85 -1.27 0.27 115.31 120.98 3kx1 h LEU 121 Ca 0.16 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3kx1 h LEU 121 Cb 0.46 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3kx1 h LEU 121 CO 0.02 0.45 0.16 0.50 -0.34 0.00 0.00 178.44 179.22 3kx1 h LYS 122 N 0.81 1.08 -0.82 1.25 3.64 -0.39 -0.35 116.57 121.78 3kx1 h LYS 122 Ca 0.31 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3kx1 h LYS 122 Cb 0.12 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3kx1 h LYS 122 CO -0.15 0.97 0.36 0.00 -2.27 0.00 0.00 179.45 178.35 3kx1 h ARG 123 N 1.01 1.21 -0.19 1.90 3.08 -0.87 -1.71 114.38 118.81 3kx1 h ARG 123 Ca 0.21 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3kx1 h ARG 123 Cb 0.38 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3kx1 h ARG 123 CO 0.00 0.95 0.05 0.00 -1.07 0.00 0.00 179.97 179.90 3kx1 h ALA 124 N 1.21 0.25 -0.93 0.04 0.00 -0.20 -0.44 119.26 119.18 3kx1 h ALA 124 Ca 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kx1 h ALA 124 Cb 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3kx1 h ALA 124 CO -0.03 -0.12 0.56 0.28 0.00 0.00 0.00 179.25 179.95 3kx1 h VAL 125 N 0.12 1.26 -0.40 0.00 2.07 -0.96 0.16 116.25 118.50 3kx1 h VAL 125 Ca 0.06 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 3kx1 h VAL 125 Cb 0.26 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3kx1 h VAL 125 CO -0.00 0.27 -0.27 0.00 0.02 0.00 0.00 177.57 177.59 3kx1 h ALA 126 N 1.31 0.76 0.00 1.67 0.00 -1.16 -2.53 119.26 119.32 3kx1 h ALA 126 Ca 0.33 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3kx1 h ALA 126 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kx1 h ALA 126 CO -0.06 0.66 -2.07 0.54 0.00 0.00 0.00 179.25 178.32 3kx1 n ARG 127 N -4.09 0.67 -0.07 0.00 1.74 -0.19 -4.61 116.66 110.11 3kx1 n ARG 127 Ca -0.01 -0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 56.80 3kx1 n ARG 127 Cb 0.47 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 3kx1 n ARG 127 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kx1 n VAL 128 N -2.39 1.13 0.00 1.55 0.31 0.53 -5.07 118.33 114.39 3kx1 n VAL 128 Ca -0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3kx1 n VAL 128 Cb 0.71 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 3kx1 n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kx1 n GLY 129 N 2.03 0.61 3.55 2.92 0.00 -0.95 -4.89 105.19 108.45 3kx1 n GLY 129 Ca -0.25 -2.23 -0.54 0.00 0.00 0.00 0.00 46.02 43.01 3kx1 n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kx1 n PRO 130 N 0.00 0.71 -5.19 1.61 -0.02 -1.26 -4.18 135.00 126.67 3kx1 n PRO 130 Ca 0.00 0.26 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 3kx1 n PRO 130 Cb 0.00 -1.79 -0.17 0.00 -0.02 0.00 0.00 33.50 31.52 3kx1 n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kx1 s VAL 131 N 0.13 1.97 0.06 -1.45 1.01 -0.70 -4.71 120.40 116.71 3kx1 s VAL 131 Ca 0.84 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.50 3kx1 s VAL 131 Cb -1.04 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 3kx1 s VAL 131 CO 0.52 0.55 1.46 -0.44 0.00 0.00 0.00 175.10 177.19 3kx1 s SER 132 N 0.01 6.77 0.17 3.32 0.01 -0.47 -1.35 113.70 122.17 3kx1 s SER 132 Ca -0.08 2.30 0.02 0.00 1.31 0.00 0.00 55.95 59.50 3kx1 s SER 132 Cb -0.15 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 3kx1 s SER 132 CO 0.05 -0.74 0.01 0.68 0.41 0.00 0.00 173.24 173.64 3kx1 s VAL 133 N 1.94 0.66 0.04 3.43 -7.23 -0.86 -0.92 120.40 117.46 3kx1 s VAL 133 Ca 0.67 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 3kx1 s VAL 133 Cb -0.36 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 3kx1 s VAL 133 CO 0.29 -0.46 -0.09 0.00 -0.31 0.00 0.00 175.10 174.53 3kx1 s ALA 134 N -3.67 0.71 0.20 1.32 0.00 -1.24 -1.06 121.76 118.02 3kx1 s ALA 134 Ca 0.24 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 3kx1 s ALA 134 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3kx1 s ALA 134 CO 0.04 0.07 0.31 0.96 0.00 0.00 0.00 175.76 177.14 3kx1 s ILE 135 N -1.04 0.03 -0.47 0.00 -4.36 -0.13 -4.04 121.20 111.20 3kx1 s ILE 135 Ca -0.05 -1.52 -0.23 0.00 -0.26 0.00 0.00 60.65 58.59 3kx1 s ILE 135 Cb -0.08 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.58 3kx1 s ILE 135 CO 0.01 -0.15 0.81 -0.62 0.24 0.00 0.00 174.94 175.23 3kx1 s ASP 136 N -3.02 6.40 -0.06 4.36 2.15 -0.75 -1.37 116.67 124.38 3kx1 s ASP 136 Ca 0.23 -0.16 0.14 0.00 0.43 0.00 0.00 52.55 53.18 3kx1 s ASP 136 Cb 0.03 -2.39 0.42 0.00 -0.30 0.00 0.00 42.92 40.68 3kx1 s ASP 136 CO 0.05 -0.97 1.35 0.00 -0.17 0.00 0.00 175.17 175.43 3kx1 n ALA 137 N 6.84 2.50 0.25 3.66 0.00 -1.26 -4.73 120.51 127.78 3kx1 n ALA 137 Ca 0.02 -1.51 0.14 0.00 0.00 0.00 0.00 53.44 52.09 3kx1 n ALA 137 Cb 0.48 -0.59 0.48 0.00 0.00 0.00 0.00 19.45 19.82 3kx1 n ALA 137 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kx1 h SER 138 N 2.27 0.00 -3.90 0.00 4.64 -1.91 -3.42 113.55 111.23 3kx1 h SER 138 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3kx1 h SER 138 Cb 1.01 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.15 3kx1 h SER 138 CO 0.08 0.04 0.54 -0.76 -0.87 0.00 0.00 176.83 175.87 3kx1 s LEU 139 N -6.27 4.32 0.39 5.97 1.43 -1.26 -4.93 118.68 118.33 3kx1 s LEU 139 Ca 0.03 2.45 0.07 0.00 -1.03 0.00 0.00 54.13 55.65 3kx1 s LEU 139 Cb 0.08 -3.85 0.81 0.00 0.03 0.00 0.00 46.19 43.26 3kx1 s LEU 139 CO 0.60 -0.56 1.99 0.74 0.23 0.00 0.00 176.35 179.35 3kx1 h THR 140 N 2.65 1.03 -0.25 5.49 2.02 -2.00 -2.79 112.91 119.06 3kx1 h THR 140 Ca -0.48 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.37 3kx1 h THR 140 Cb 1.23 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3kx1 h THR 140 CO 0.64 0.12 -0.26 0.77 0.37 0.00 0.00 175.52 177.16 3kx1 h SER 141 N 0.65 0.49 0.22 4.18 4.64 -1.95 -1.50 113.55 120.28 3kx1 h SER 141 Ca 0.26 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3kx1 h SER 141 Cb 0.19 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3kx1 h SER 141 CO -0.07 0.74 -0.10 0.15 -0.87 0.00 0.00 176.83 176.67 3kx1 h PHE 142 N 0.43 -0.27 -0.98 4.77 3.57 -1.83 -2.87 116.94 119.76 3kx1 h PHE 142 Ca 0.06 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.66 3kx1 h PHE 142 Cb 0.68 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.43 3kx1 h PHE 142 CO 0.02 -0.09 0.63 1.96 -2.23 0.00 0.00 178.31 178.60 3kx1 h GLN 143 N -0.39 0.99 -0.53 1.11 4.20 -1.20 -2.05 115.11 117.23 3kx1 h GLN 143 Ca -0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3kx1 h GLN 143 Cb 0.30 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3kx1 h GLN 143 CO 0.05 0.65 0.00 1.97 -0.67 0.00 0.00 178.83 180.83 3kx1 n PHE 144 N -4.57 0.75 -1.58 2.96 -0.00 -0.60 -4.77 117.46 109.64 3kx1 n PHE 144 Ca 0.17 -0.36 -0.48 0.00 -0.00 0.00 0.00 57.45 56.79 3kx1 n PHE 144 Cb 0.31 -0.03 -0.04 0.00 -0.00 0.00 0.00 39.48 39.72 3kx1 n PHE 144 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 3kx1 n TYR 145 N 0.97 1.34 0.00 2.97 4.19 -0.77 -4.92 117.16 120.93 3kx1 n TYR 145 Ca 0.17 0.67 0.00 0.00 3.31 0.00 0.00 57.90 62.05 3kx1 n TYR 145 Cb 0.47 -2.29 0.00 0.00 0.49 0.00 0.00 39.34 38.01 3kx1 n TYR 145 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 3kx1 n SER 146 N 1.94 1.12 -3.86 2.98 3.41 -1.26 -3.57 113.62 114.38 3kx1 n SER 146 Ca 0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.66 3kx1 n SER 146 Cb 0.26 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 3kx1 n SER 146 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3kx1 s LYS 147 N -1.66 0.95 1.21 4.33 -2.85 -1.26 -4.00 119.74 116.45 3kx1 s LYS 147 Ca 0.00 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 3kx1 s LYS 147 Cb 0.00 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 3kx1 s LYS 147 CO 0.00 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.54 3kx1 n GLY 148 N -0.12 -1.95 3.49 0.59 0.00 -1.26 -4.81 105.19 101.12 3kx1 n GLY 148 Ca -0.13 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 3kx1 n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kx1 s VAL 149 N 0.00 5.12 -0.14 1.61 1.01 -1.26 -4.33 120.40 122.41 3kx1 s VAL 149 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3kx1 s VAL 149 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3kx1 s VAL 149 CO 0.00 -0.07 1.33 -0.47 0.00 0.00 0.00 175.10 175.88 3kx1 s TYR 150 N 1.69 2.71 -0.04 5.22 5.04 0.77 -4.75 117.35 127.99 3kx1 s TYR 150 Ca 0.05 0.88 -0.01 0.00 -2.44 0.00 0.00 57.07 55.54 3kx1 s TYR 150 Cb -0.18 -3.57 0.03 0.00 0.35 0.00 0.00 41.96 38.59 3kx1 s TYR 150 CO 0.09 -2.06 0.07 -0.47 -1.34 0.00 0.00 175.55 171.85 3kx1 s TYR 151 N 3.54 -0.01 -0.06 4.97 5.04 -1.26 -0.94 117.35 128.63 3kx1 s TYR 151 Ca 0.58 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 3kx1 s TYR 151 Cb -0.24 -0.31 0.02 0.00 0.35 0.00 0.00 41.96 41.79 3kx1 s TYR 151 CO 0.17 -0.16 -0.04 0.34 -1.34 0.00 0.00 175.55 174.52 3kx1 s ASP 152 N 1.61 1.30 0.57 4.32 -1.08 -1.26 -5.03 116.67 117.10 3kx1 s ASP 152 Ca -0.03 -0.15 0.34 0.00 -0.52 0.00 0.00 52.55 52.19 3kx1 s ASP 152 Cb -0.12 -0.52 1.67 0.00 -1.46 0.00 0.00 42.92 42.48 3kx1 s ASP 152 CO -0.04 -0.08 2.11 -0.33 0.52 0.00 0.00 175.17 177.35 3kx1 h GLU 153 N 7.52 0.00 -0.00 4.34 3.07 -2.02 -2.20 114.58 125.28 3kx1 h GLU 153 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3kx1 h GLU 153 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3kx1 h GLU 153 CO 0.42 0.05 -0.02 0.43 -1.40 0.00 0.00 179.01 178.49 3kx1 n SER 154 N -3.28 0.03 -4.73 1.42 7.64 -1.26 -4.90 113.62 108.54 3kx1 n SER 154 Ca -0.01 0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 3kx1 n SER 154 Cb 0.23 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 3kx1 n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kx1 s ASN 156 N 0.97 5.87 0.32 0.00 2.47 -1.26 -4.58 114.94 118.73 3kx1 s ASN 156 Ca 0.69 -0.89 0.26 0.00 0.42 0.00 0.00 52.86 53.34 3kx1 s ASN 156 Cb -0.46 -2.08 0.93 0.00 -1.45 0.00 0.00 41.25 38.19 3kx1 s ASN 156 CO 0.35 -0.38 1.77 0.77 -3.72 0.00 0.00 177.10 175.89 3kx1 h SER 157 N 8.50 0.00 -0.33 -4.21 4.64 -1.87 -2.31 113.55 117.97 3kx1 h SER 157 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3kx1 h SER 157 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3kx1 h SER 157 CO 0.68 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.11 3kx1 n ASP 158 N -2.49 2.76 -3.54 4.97 8.00 -1.26 -4.51 116.55 120.48 3kx1 n ASP 158 Ca 0.03 -1.90 -0.30 0.00 0.71 0.00 0.00 54.79 53.33 3kx1 n ASP 158 Cb 0.34 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 3kx1 n ASP 158 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kx1 n ASN 159 N 1.04 4.29 -4.63 -2.24 5.15 -0.87 -5.06 115.26 112.94 3kx1 n ASN 159 Ca 0.18 -3.44 -0.43 0.00 -0.60 0.00 0.00 54.58 50.29 3kx1 n ASN 159 Cb 0.49 -0.79 -0.02 0.00 -0.53 0.00 0.00 39.78 38.93 3kx1 n ASN 159 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kx1 s LEU 160 N -2.53 3.89 0.00 1.20 1.43 -1.26 -3.76 118.68 117.64 3kx1 s LEU 160 Ca 0.38 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 3kx1 s LEU 160 Cb 0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3kx1 s LEU 160 CO 0.01 -0.94 0.31 -0.46 0.23 0.00 0.00 176.35 175.50 3kx1 n ASN 161 N 7.02 0.23 -3.73 2.29 0.23 -0.47 -4.94 115.26 115.89 3kx1 n ASN 161 Ca 0.12 -1.07 -0.13 0.00 -0.53 0.00 0.00 54.58 52.96 3kx1 n ASN 161 Cb 0.47 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.08 3kx1 n ASN 161 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3kx1 s HIS 162 N -0.07 -0.39 -0.15 -2.53 5.04 -0.91 -4.90 115.29 111.39 3kx1 s HIS 162 Ca 0.00 0.90 -0.02 0.00 -1.54 0.00 0.00 55.06 54.41 3kx1 s HIS 162 Cb 0.00 0.15 -0.02 0.00 0.04 0.00 0.00 32.58 32.75 3kx1 s HIS 162 CO 0.00 -0.26 -0.09 0.00 -2.34 0.00 0.00 174.74 172.05 3kx1 s ALA 163 N -0.16 2.76 0.00 1.58 0.00 -1.26 -0.96 121.76 123.72 3kx1 s ALA 163 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3kx1 s ALA 163 Cb -0.03 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.72 3kx1 s ALA 163 CO 0.02 0.18 0.00 1.33 0.00 0.00 0.00 175.76 177.29 3kx1 n VAL 164 N 3.62 0.00 -3.64 0.00 0.24 -0.22 -4.46 118.33 113.87 3kx1 n VAL 164 Ca -0.18 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 61.96 3kx1 n VAL 164 Cb 0.52 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.75 3kx1 n VAL 164 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kx1 s LEU 165 N 0.00 -0.12 -0.46 1.34 2.96 -0.97 -2.02 118.68 119.41 3kx1 s LEU 165 Ca 0.00 0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 53.92 3kx1 s LEU 165 Cb 0.00 0.36 0.01 0.00 0.50 0.00 0.00 46.19 47.06 3kx1 s LEU 165 CO 0.00 -0.26 1.49 0.00 -1.32 0.00 0.00 176.35 176.27 3kx1 s ALA 166 N 2.32 2.89 -1.77 5.97 0.00 -0.46 -0.39 121.76 130.32 3kx1 s ALA 166 Ca 0.03 -0.28 0.18 0.00 0.00 0.00 0.00 51.96 51.89 3kx1 s ALA 166 Cb -0.13 -4.02 0.43 0.00 0.00 0.00 0.00 23.12 19.40 3kx1 s ALA 166 CO -0.07 -2.68 1.35 1.33 0.00 0.00 0.00 175.76 175.68 3kx1 n VAL 167 N 7.08 0.75 -3.76 0.00 0.24 0.10 -1.72 118.33 121.01 3kx1 n VAL 167 Ca 0.16 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 3kx1 n VAL 167 Cb 0.48 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 3kx1 n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kx1 n GLY 168 N 1.18 -1.18 3.45 7.63 0.00 -1.23 -1.09 105.19 113.96 3kx1 n GLY 168 Ca 0.17 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 3kx1 n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kx1 s TYR 169 N -3.00 -0.52 0.00 1.61 -0.85 -0.54 -1.79 117.35 112.25 3kx1 s TYR 169 Ca 0.00 0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.98 3kx1 s TYR 169 Cb 0.00 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.87 3kx1 s TYR 169 CO 0.00 -0.76 0.00 0.41 -1.52 0.00 0.00 175.55 173.68 3kx1 n GLY 170 N -0.16 1.24 2.88 5.49 0.00 -1.00 -1.11 105.19 112.54 3kx1 n GLY 170 Ca -0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 3kx1 n GLY 170 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kx1 s ILE 171 N -0.82 -0.02 -0.05 -0.61 2.07 -1.26 -0.98 121.20 119.54 3kx1 s ILE 171 Ca 0.00 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 3kx1 s ILE 171 Cb 0.00 -0.08 0.02 0.00 0.13 0.00 0.00 42.46 42.53 3kx1 s ILE 171 CO 0.00 0.03 -0.03 -1.58 -1.91 0.00 0.00 174.94 171.44 3kx1 s GLN 172 N 0.35 0.74 -1.56 3.50 0.74 0.40 -4.83 119.66 119.01 3kx1 s GLN 172 Ca -0.03 -0.05 -0.17 0.00 0.05 0.00 0.00 55.36 55.17 3kx1 s GLN 172 Cb -0.04 -0.84 0.15 0.00 1.10 0.00 0.00 33.01 33.38 3kx1 s GLN 172 CO -0.01 -0.13 0.66 1.63 -0.55 0.00 0.00 175.29 176.88 3kx1 n LYS 173 N 4.28 -2.78 -0.32 1.67 5.02 -1.26 0.62 118.16 125.39 3kx1 n LYS 173 Ca -0.21 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3kx1 n LYS 173 Cb 0.51 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 3kx1 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kx1 n GLY 174 N -1.24 0.98 3.41 0.72 0.00 -1.26 -5.03 105.19 102.77 3kx1 n GLY 174 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3kx1 n GLY 174 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kx1 s ASN 175 N -2.99 5.58 0.34 1.61 0.02 0.20 -5.07 114.94 114.63 3kx1 s ASN 175 Ca 0.00 -0.70 -0.29 0.00 -1.02 0.00 0.00 52.86 50.85 3kx1 s ASN 175 Cb 0.00 -2.00 -0.10 0.00 0.02 0.00 0.00 41.25 39.17 3kx1 s ASN 175 CO 0.00 -0.26 1.34 -0.54 0.02 0.00 0.00 177.10 177.66 3kx1 s LYS 176 N 1.58 4.31 0.08 -0.60 1.02 -1.26 -0.45 119.74 124.42 3kx1 s LYS 176 Ca 0.04 2.29 -0.04 0.00 0.02 0.00 0.00 55.97 58.28 3kx1 s LYS 176 Cb -0.18 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 3kx1 s LYS 176 CO 0.06 -0.26 0.07 -3.38 -0.92 0.00 0.00 175.35 170.92 3kx1 s HIS 177 N -1.13 0.46 -0.16 3.18 -3.43 -0.15 -1.68 115.29 112.38 3kx1 s HIS 177 Ca 0.50 -0.93 -0.08 0.00 -0.80 0.00 0.00 55.06 53.75 3kx1 s HIS 177 Cb -0.41 -0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 30.41 3kx1 s HIS 177 CO 0.55 -0.47 0.10 -1.58 -2.00 0.00 0.00 174.74 171.34 3kx1 s TRP 178 N -3.93 3.39 -0.40 0.38 0.52 0.12 -2.37 118.94 116.66 3kx1 s TRP 178 Ca 0.10 0.30 -0.22 0.00 0.02 0.00 0.00 56.10 56.29 3kx1 s TRP 178 Cb 0.07 -2.04 0.01 0.00 -1.15 0.00 0.00 33.47 30.36 3kx1 s TRP 178 CO -0.08 0.39 0.74 0.42 0.02 0.00 0.00 176.95 178.44 3kx1 s ILE 179 N -0.12 4.75 -0.21 2.03 1.01 -0.74 -1.01 121.20 126.90 3kx1 s ILE 179 Ca 0.09 0.60 -0.06 0.00 0.00 0.00 0.00 60.65 61.27 3kx1 s ILE 179 Cb -0.12 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 3kx1 s ILE 179 CO 0.01 -0.52 0.04 -0.63 0.00 0.00 0.00 174.94 173.83 3kx1 s ILE 180 N 3.06 4.25 -0.20 2.92 -1.09 0.12 -0.73 121.20 129.53 3kx1 s ILE 180 Ca 0.29 -0.21 -0.22 0.00 -2.23 0.00 0.00 60.65 58.28 3kx1 s ILE 180 Cb -0.13 -2.94 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 3kx1 s ILE 180 CO 0.19 0.40 0.69 -0.75 -1.23 0.00 0.00 174.94 174.24 3kx1 s LYS 181 N 1.06 4.22 0.54 2.79 2.20 0.47 -0.87 119.74 130.15 3kx1 s LYS 181 Ca 0.03 0.73 0.08 0.00 -0.36 0.00 0.00 55.97 56.46 3kx1 s LYS 181 Cb -0.14 -3.59 0.06 0.00 -1.51 0.00 0.00 37.83 32.65 3kx1 s LYS 181 CO 0.02 -0.29 0.65 1.21 -0.36 0.00 0.00 175.35 176.58 3kx1 s ASN 182 N 1.22 5.07 -0.32 1.43 3.84 -0.99 -2.30 114.94 122.88 3kx1 s ASN 182 Ca 0.31 -0.87 0.13 0.00 0.21 0.00 0.00 52.86 52.64 3kx1 s ASN 182 Cb -0.16 0.14 0.47 0.00 -0.55 0.00 0.00 41.25 41.14 3kx1 s ASN 182 CO 0.11 -1.16 1.10 -1.54 -2.79 0.00 0.00 177.10 172.81 3kx1 n SER 183 N -2.04 3.24 -1.16 -4.21 3.41 -1.26 -4.46 113.62 107.14 3kx1 n SER 183 Ca 0.10 -3.05 0.01 0.00 -0.26 0.00 0.00 58.87 55.67 3kx1 n SER 183 Cb 0.62 -0.44 0.24 0.00 -0.26 0.00 0.00 64.21 64.36 3kx1 n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kx1 n TRP 184 N -0.50 1.25 0.00 7.33 8.01 -1.16 -1.50 117.44 130.86 3kx1 n TRP 184 Ca 0.26 -1.22 0.00 0.00 -1.31 0.00 0.00 57.50 55.23 3kx1 n TRP 184 Cb 0.82 -0.45 0.00 0.00 -2.01 0.00 0.00 31.31 29.68 3kx1 n TRP 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kx1 n GLY 185 N -0.73 -0.87 0.28 6.99 0.00 -0.10 -4.20 105.19 106.56 3kx1 n GLY 185 Ca 0.29 -1.60 0.18 0.00 0.00 0.00 0.00 46.02 44.90 3kx1 n GLY 185 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kx1 h GLU 186 N 0.00 0.00 -0.02 1.61 5.08 -1.83 -2.84 114.58 116.59 3kx1 h GLU 186 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3kx1 h GLU 186 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3kx1 h GLU 186 CO 0.00 0.00 -0.40 -0.91 -1.00 0.00 0.00 179.01 176.70 3kx1 h ASN 187 N 0.00 0.05 -4.01 1.42 -0.26 -1.89 -2.46 115.58 108.43 3kx1 h ASN 187 Ca 0.00 -0.02 -0.45 0.00 -0.56 0.00 0.00 56.30 55.26 3kx1 h ASN 187 Cb 0.27 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 3kx1 h ASN 187 CO 0.00 0.45 0.36 0.86 -1.06 0.00 0.00 177.43 178.04 3kx1 s TRP 188 N -4.12 3.34 0.00 1.19 -0.00 -1.07 -4.79 118.94 113.49 3kx1 s TRP 188 Ca -0.03 1.65 0.00 0.00 -0.00 0.00 0.00 56.10 57.72 3kx1 s TRP 188 Cb 0.14 -2.93 0.00 0.00 -0.00 0.00 0.00 33.47 30.68 3kx1 s TRP 188 CO 0.74 -0.20 0.00 0.41 -0.00 0.00 0.00 176.95 177.90 3kx1 n GLY 189 N -0.22 3.30 3.17 5.86 0.00 -1.23 0.27 105.19 116.33 3kx1 n GLY 189 Ca 0.06 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3kx1 n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kx1 s ASN 190 N -4.00 5.99 -1.32 1.61 3.84 -0.17 -4.63 114.94 116.27 3kx1 s ASN 190 Ca 0.00 -3.15 -0.07 0.00 0.21 0.00 0.00 52.86 49.85 3kx1 s ASN 190 Cb 0.00 -1.98 0.01 0.00 -0.55 0.00 0.00 41.25 38.72 3kx1 s ASN 190 CO 0.00 -0.35 0.90 0.29 -2.79 0.00 0.00 177.10 175.15 3kx1 n LYS 191 N 3.17 -6.31 -0.88 0.43 5.02 -1.23 -1.64 118.16 116.72 3kx1 n LYS 191 Ca 0.15 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 3kx1 n LYS 191 Cb 0.40 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 3kx1 n LYS 191 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kx1 n GLY 192 N -1.74 0.90 3.69 0.72 0.00 0.14 -4.69 105.19 104.21 3kx1 n GLY 192 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3kx1 n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kx1 s TYR 193 N -3.56 2.95 -0.02 1.61 1.51 -0.66 -2.36 117.35 116.83 3kx1 s TYR 193 Ca 0.00 -0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 3kx1 s TYR 193 Cb 0.00 -1.48 -0.00 0.00 -0.11 0.00 0.00 41.96 40.37 3kx1 s TYR 193 CO 0.00 0.49 -0.10 -1.50 -1.11 0.00 0.00 175.55 173.33 3kx1 s ILE 194 N -1.49 0.81 -0.23 2.71 2.07 -0.05 -1.00 121.20 124.02 3kx1 s ILE 194 Ca 0.27 -0.41 -0.23 0.00 -1.41 0.00 0.00 60.65 58.87 3kx1 s ILE 194 Cb -0.11 -0.70 -0.01 0.00 0.13 0.00 0.00 42.46 41.77 3kx1 s ILE 194 CO 0.19 0.24 0.73 -0.76 -1.91 0.00 0.00 174.94 173.43 3kx1 s LEU 195 N -0.05 4.09 -0.04 8.50 1.43 -1.26 0.14 118.68 131.50 3kx1 s LEU 195 Ca 0.01 0.91 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 3kx1 s LEU 195 Cb -0.06 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 3kx1 s LEU 195 CO 0.00 -0.42 -0.10 -0.04 0.23 0.00 0.00 176.35 176.02 3kx1 s MET 196 N 2.52 2.56 0.07 1.70 -1.94 -0.18 -0.16 119.30 123.87 3kx1 s MET 196 Ca 0.31 -0.67 -0.36 0.00 -1.71 0.00 0.00 55.69 53.26 3kx1 s MET 196 Cb -0.16 -2.47 -0.15 0.00 2.01 0.00 0.00 34.83 34.06 3kx1 s MET 196 CO 0.09 0.63 1.47 0.00 -0.01 0.00 0.00 175.02 177.19 3kx1 n ALA 197 N 2.03 -0.09 -2.61 3.03 0.00 -0.11 0.14 120.51 122.90 3kx1 n ALA 197 Ca -0.17 0.47 -0.34 0.00 0.00 0.00 0.00 53.44 53.41 3kx1 n ALA 197 Cb 0.53 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 3kx1 n ALA 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kx1 s ARG 198 N 1.02 2.79 -1.70 0.00 3.52 -0.68 -4.53 118.95 119.36 3kx1 s ARG 198 Ca 0.84 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.90 3kx1 s ARG 198 Cb -0.86 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 3kx1 s ARG 198 CO 0.46 0.67 0.15 0.09 -0.81 0.00 0.00 175.30 175.85 3kx1 n ASN 199 N 2.15 -5.90 -3.08 -2.12 5.03 -1.26 -4.61 115.26 105.47 3kx1 n ASN 199 Ca -0.18 -0.08 -0.32 0.00 0.87 0.00 0.00 54.58 54.86 3kx1 n ASN 199 Cb 0.53 -4.86 -0.01 0.00 -1.02 0.00 0.00 39.78 34.42 3kx1 n ASN 199 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3kx1 n LYS 200 N -3.22 3.88 -3.64 3.52 4.76 -1.26 -4.87 118.16 117.33 3kx1 n LYS 200 Ca -0.21 -4.65 -0.20 0.00 -2.87 0.00 0.00 58.31 50.38 3kx1 n LYS 200 Cb 0.67 -2.31 0.05 0.00 -1.84 0.00 0.00 35.03 31.59 3kx1 n LYS 200 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kx1 n ASN 201 N -0.25 -1.52 -3.53 4.39 4.05 -1.26 -2.78 115.26 114.36 3kx1 n ASN 201 Ca 0.39 -0.77 -0.19 0.00 0.45 0.00 0.00 54.58 54.46 3kx1 n ASN 201 Cb 0.38 -4.33 0.07 0.00 1.23 0.00 0.00 39.78 37.13 3kx1 n ASN 201 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3kx1 n ASN 202 N -3.07 -2.07 -4.68 1.20 5.15 -1.26 -4.84 115.26 105.70 3kx1 n ASN 202 Ca -0.29 -0.71 -0.45 0.00 -0.60 0.00 0.00 54.58 52.53 3kx1 n ASN 202 Cb 0.67 -4.68 -0.04 0.00 -0.53 0.00 0.00 39.78 35.20 3kx1 n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kx1 n ALA 203 N -4.13 1.58 -1.33 5.20 0.00 -1.12 -0.97 120.51 119.74 3kx1 n ALA 203 Ca -0.28 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 3kx1 n ALA 203 Cb 0.67 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 3kx1 n ALA 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kx1 n GLY 205 N -0.30 0.32 0.34 0.00 0.00 -0.15 -1.82 105.19 103.58 3kx1 n GLY 205 Ca -0.11 -0.34 0.17 0.00 0.00 0.00 0.00 46.02 45.74 3kx1 n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kx1 h ILE 206 N 0.00 0.51 -0.61 -0.61 6.09 -1.67 -0.73 117.51 120.49 3kx1 h ILE 206 Ca -0.31 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3kx1 h ILE 206 Cb 1.13 -0.08 0.00 0.00 0.47 0.00 0.00 36.82 38.34 3kx1 h ILE 206 CO 0.39 0.10 0.00 0.00 -3.07 0.00 0.00 178.15 175.57 3kx1 n ALA 207 N -2.33 2.72 0.07 0.18 0.00 -1.26 -4.37 120.51 115.52 3kx1 n ALA 207 Ca 0.27 -1.27 0.02 0.00 0.00 0.00 0.00 53.44 52.46 3kx1 n ALA 207 Cb 0.75 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 3kx1 n ALA 207 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kx1 h ASN 208 N 3.72 0.00 -1.90 0.00 4.21 -1.39 0.45 115.58 120.67 3kx1 h ASN 208 Ca 0.00 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.04 3kx1 h ASN 208 Cb 1.09 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 37.89 3kx1 h ASN 208 CO 0.11 0.50 -1.18 -0.11 -1.29 0.00 0.00 177.43 175.46 3kx1 n LEU 209 N -2.99 1.01 -4.70 1.61 7.94 -1.26 -4.68 117.00 113.94 3kx1 n LEU 209 Ca -0.05 -4.90 -0.35 0.00 -1.11 0.00 0.00 56.01 49.60 3kx1 n LEU 209 Cb 0.78 0.65 -0.09 0.00 0.53 0.00 0.00 43.42 45.29 3kx1 n LEU 209 CO 0.42 2.22 -0.22 0.00 -1.11 0.00 0.00 177.39 178.70 3kx1 s ALA 210 N -2.54 3.56 0.12 1.96 0.00 -1.26 -3.64 121.76 119.97 3kx1 s ALA 210 Ca 0.39 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.49 3kx1 s ALA 210 Cb 0.36 -1.99 0.03 0.00 0.00 0.00 0.00 23.12 21.51 3kx1 s ALA 210 CO -0.07 0.25 0.36 -1.54 0.00 0.00 0.00 175.76 174.76 3kx1 s SER 211 N 0.12 -0.16 0.05 0.00 1.04 -0.10 -0.77 113.70 113.87 3kx1 s SER 211 Ca 0.07 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 3kx1 s SER 211 Cb -0.12 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 3kx1 s SER 211 CO -0.00 -0.83 -0.04 0.72 0.98 0.00 0.00 173.24 174.07 3kx1 s PHE 212 N -3.81 0.49 0.34 5.02 -0.12 -0.68 -1.37 117.98 117.85 3kx1 s PHE 212 Ca 0.03 -0.86 -0.16 0.00 -0.05 0.00 0.00 56.93 55.90 3kx1 s PHE 212 Cb 0.02 -0.34 -0.09 0.00 -0.63 0.00 0.00 43.02 41.98 3kx1 s PHE 212 CO -0.12 -0.28 0.76 -1.25 -0.05 0.00 0.00 175.22 174.28 3kx1 s PRO 213 N -3.02 4.02 0.03 1.99 0.04 -1.26 -1.46 135.00 135.34 3kx1 s PRO 213 Ca -0.01 0.72 -0.06 0.00 0.04 0.00 0.00 61.00 61.69 3kx1 s PRO 213 Cb 0.01 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3kx1 s PRO 213 CO -0.06 0.13 0.29 0.15 0.04 0.00 0.00 177.00 177.55 3kx1 s LYS 214 N -3.03 3.60 0.00 4.56 1.02 0.16 -4.89 119.74 121.16 3kx1 s LYS 214 Ca 0.55 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.48 3kx1 s LYS 214 Cb -0.10 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3kx1 s LYS 214 CO 0.17 0.62 0.00 -0.12 -0.92 0.00 0.00 175.35 175.10