#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8b s HIS 2 N 0.00 3.15 0.12 1.45 2.46 -1.26 -5.01 115.29 116.20 3k8b s HIS 2 Ca 0.00 -0.16 -0.07 0.00 0.47 0.00 0.00 55.06 55.30 3k8b s HIS 2 Cb 0.00 -2.11 -0.06 0.00 -0.13 0.00 0.00 32.58 30.28 3k8b s HIS 2 CO 0.00 -0.05 0.40 -1.58 -2.47 0.00 0.00 174.74 171.04 3k8b s TRP 3 N 0.78 3.52 0.37 3.88 0.52 -1.26 -5.11 118.94 121.64 3k8b s TRP 3 Ca 0.03 0.68 -0.08 0.00 0.02 0.00 0.00 56.10 56.74 3k8b s TRP 3 Cb -0.14 -2.09 -0.06 0.00 -1.15 0.00 0.00 33.47 30.03 3k8b s TRP 3 CO 0.02 0.46 0.70 0.45 0.02 0.00 0.00 176.95 178.60 3k8b s SER 4 N -2.12 6.49 0.20 2.95 0.15 -1.26 -4.98 113.70 115.12 3k8b s SER 4 Ca 0.38 0.99 -0.03 0.00 0.70 0.00 0.00 55.95 57.98 3k8b s SER 4 Cb -0.13 -2.26 0.13 0.00 -1.71 0.00 0.00 66.02 62.05 3k8b s SER 4 CO 0.21 -0.33 1.53 0.00 1.20 0.00 0.00 173.24 175.85 3k8b h ALA 5 N 1.38 0.73 -0.62 5.45 0.00 -1.99 0.12 119.26 124.34 3k8b h ALA 5 Ca -0.47 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 3k8b h ALA 5 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3k8b h ALA 5 CO 0.64 0.67 0.07 0.93 0.00 0.00 0.00 179.25 181.57 3k8b h GLU 6 N 0.47 1.02 -0.18 0.00 3.07 -1.97 -2.46 114.58 114.53 3k8b h GLU 6 Ca 0.02 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.58 3k8b h GLU 6 Cb 1.02 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 3k8b h GLU 6 CO 0.10 0.96 0.00 0.93 -1.40 0.00 0.00 179.01 179.59 3k8b h GLU 7 N 0.95 0.31 0.05 2.33 5.08 -1.78 -1.77 114.58 119.76 3k8b h GLU 7 Ca 0.19 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3k8b h GLU 7 Cb 0.45 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3k8b h GLU 7 CO 0.02 0.52 -0.09 0.87 -1.00 0.00 0.00 179.01 179.33 3k8b h LYS 8 N 0.07 -0.18 0.00 2.33 1.57 -0.82 -1.56 116.57 117.98 3k8b h LYS 8 Ca 0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3k8b h LYS 8 Cb 0.38 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3k8b h LYS 8 CO 0.01 -0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.77 3k8b n GLN 9 N -5.21 0.07 0.04 3.15 10.64 -0.93 -0.37 117.38 124.77 3k8b n GLN 9 Ca -0.07 0.22 -0.15 0.00 -1.83 0.00 0.00 57.00 55.18 3k8b n GLN 9 Cb 0.13 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 27.87 3k8b n GLN 9 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 3k8b h LEU 10 N 0.00 0.29 0.33 2.61 3.38 -0.97 -3.24 115.31 117.72 3k8b h LEU 10 Ca 0.00 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 3k8b h LEU 10 Cb 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3k8b h LEU 10 CO 0.00 1.39 -0.16 0.40 0.09 0.00 0.00 178.44 180.16 3k8b h ILE 11 N 0.05 0.09 -0.67 1.22 2.04 -0.63 -3.09 117.51 116.52 3k8b h ILE 11 Ca -0.26 -0.70 0.11 0.00 1.00 0.00 0.00 64.86 65.00 3k8b h ILE 11 Cb 2.00 0.15 -0.12 0.00 -0.74 0.00 0.00 36.82 38.11 3k8b h ILE 11 CO 0.13 0.02 -0.38 0.74 0.00 0.00 0.00 178.15 178.66 3k8b h THR 12 N -1.10 0.11 -0.64 -0.27 2.02 -0.94 -0.31 112.91 111.77 3k8b h THR 12 Ca -0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3k8b h THR 12 Cb 0.38 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3k8b h THR 12 CO 0.08 0.00 0.41 1.23 0.37 0.00 0.00 175.52 177.61 3k8b h GLY 13 N -0.15 0.91 1.64 2.16 0.00 -1.70 -3.09 103.07 102.84 3k8b h GLY 13 Ca 0.24 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 3k8b h GLY 13 CO -0.75 0.29 -0.74 -2.00 0.00 0.00 0.00 176.54 173.34 3k8b h LEU 14 N 0.82 0.41 -0.19 3.11 7.12 -1.31 -3.21 115.31 122.08 3k8b h LEU 14 Ca 0.25 -0.28 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 3k8b h LEU 14 Cb -0.04 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 39.96 3k8b h LEU 14 CO -0.08 1.02 0.10 -0.25 -0.13 0.00 0.00 178.44 179.10 3k8b h TRP 15 N 0.23 0.26 0.00 1.25 2.91 -1.00 -2.99 115.95 116.61 3k8b h TRP 15 Ca -0.03 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.98 3k8b h TRP 15 Cb 1.32 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 3k8b h TRP 15 CO 0.04 0.25 0.00 0.41 -1.03 0.00 0.00 178.44 178.11 3k8b n GLY 16 N -0.91 -0.17 0.00 2.65 0.00 -1.18 -1.76 105.19 103.82 3k8b n GLY 16 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3k8b n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k8b n LYS 17 N -0.49 0.26 -3.11 1.61 4.81 -1.13 -5.05 118.16 115.06 3k8b n LYS 17 Ca 0.00 -0.09 -0.39 0.00 -0.87 0.00 0.00 58.31 56.96 3k8b n LYS 17 Cb 0.00 -0.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.50 3k8b n LYS 17 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3k8b s VAL 18 N -0.06 4.54 -0.77 3.15 1.01 -0.72 -5.00 120.40 122.55 3k8b s VAL 18 Ca 0.00 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.21 3k8b s VAL 18 Cb 0.00 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.38 3k8b s VAL 18 CO 0.00 0.53 1.29 0.21 0.00 0.00 0.00 175.10 177.13 3k8b s ASN 19 N -1.08 6.19 0.52 3.32 3.84 -1.26 -4.86 114.94 121.62 3k8b s ASN 19 Ca 0.33 -0.56 0.24 0.00 0.21 0.00 0.00 52.86 53.08 3k8b s ASN 19 Cb -0.21 -2.56 1.43 0.00 -0.55 0.00 0.00 41.25 39.36 3k8b s ASN 19 CO 0.23 -1.80 2.11 -0.37 -2.79 0.00 0.00 177.10 174.47 3k8b h VAL 20 N 6.11 0.71 0.21 -5.21 -1.51 -1.94 0.24 116.25 114.86 3k8b h VAL 20 Ca -0.23 -0.39 -0.01 0.00 -1.23 0.00 0.00 66.70 64.84 3k8b h VAL 20 Cb 1.05 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 3k8b h VAL 20 CO 1.29 0.10 -0.10 0.00 -1.23 0.00 0.00 177.57 177.63 3k8b h ALA 21 N 1.90 -0.29 0.81 5.19 0.00 -1.89 -2.05 119.26 122.94 3k8b h ALA 21 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3k8b h ALA 21 Cb 0.23 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3k8b h ALA 21 CO 0.01 -0.28 -0.39 -0.44 0.00 0.00 0.00 179.25 178.15 3k8b h ASP 22 N -1.05 -0.92 -0.10 0.00 3.45 -1.91 0.30 116.42 116.20 3k8b h ASP 22 Ca -0.03 0.03 0.03 0.00 0.43 0.00 0.00 57.03 57.49 3k8b h ASP 22 Cb 0.32 0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 39.32 3k8b h ASP 22 CO 0.05 -0.60 0.24 0.00 -1.57 0.00 0.00 179.24 177.35 3k8b h GLY 24 N 0.00 -0.09 0.37 0.00 0.00 -0.79 -3.20 103.07 99.35 3k8b h GLY 24 Ca 0.05 0.03 0.20 0.00 0.00 0.00 0.00 47.33 47.61 3k8b h GLY 24 CO -0.00 -0.03 0.58 0.00 0.00 0.00 0.00 176.54 177.09 3k8b h ALA 25 N -0.90 2.28 0.00 3.60 0.00 -0.25 -2.98 119.26 121.02 3k8b h ALA 25 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3k8b h ALA 25 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3k8b h ALA 25 CO 0.01 -0.55 -0.69 1.49 0.00 0.00 0.00 179.25 179.52 3k8b h GLU 26 N 0.34 0.00 0.00 0.00 4.81 -1.47 0.27 114.58 118.54 3k8b h GLU 26 Ca 0.44 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.62 3k8b h GLU 26 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 3k8b h GLU 26 CO -0.14 0.37 -0.27 0.00 -0.73 0.00 0.00 179.01 178.24 3k8b h ALA 27 N 1.57 0.93 0.06 2.92 0.00 -1.51 -2.31 119.26 120.91 3k8b h ALA 27 Ca -0.04 -0.24 -0.36 0.00 0.00 0.00 0.00 54.91 54.26 3k8b h ALA 27 Cb 1.36 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3k8b h ALA 27 CO 0.05 0.33 -2.14 -0.11 0.00 0.00 0.00 179.25 177.38 3k8b n LEU 28 N -3.31 2.32 -0.30 0.00 7.94 -1.18 -1.26 117.00 121.21 3k8b n LEU 28 Ca 0.01 0.11 0.12 0.00 -1.11 0.00 0.00 56.01 55.14 3k8b n LEU 28 Cb 0.52 -0.77 0.26 0.00 0.53 0.00 0.00 43.42 43.95 3k8b n LEU 28 CO 0.35 0.80 0.86 0.00 -1.11 0.00 0.00 177.39 178.29 3k8b h ALA 29 N 0.24 1.11 0.18 1.96 0.00 -0.49 -2.77 119.26 119.48 3k8b h ALA 29 Ca -0.46 0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 3k8b h ALA 29 Cb 2.01 0.45 0.02 0.00 0.00 0.00 0.00 17.79 20.26 3k8b h ALA 29 CO 0.03 -0.50 -1.42 0.00 0.00 0.00 0.00 179.25 177.36 3k8b h ARG 30 N 0.10 0.38 -1.13 0.00 3.08 -1.48 -3.02 114.38 112.31 3k8b h ARG 30 Ca 0.53 -0.65 0.32 0.00 0.07 0.00 0.00 59.98 60.25 3k8b h ARG 30 Cb 1.06 0.24 -0.06 0.00 0.08 0.00 0.00 29.97 31.29 3k8b h ARG 30 CO -0.76 1.31 0.80 1.25 -1.07 0.00 0.00 179.97 181.50 3k8b h LEU 31 N -0.07 0.10 0.00 3.04 5.85 -1.02 -0.09 115.31 123.13 3k8b h LEU 31 Ca -0.27 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3k8b h LEU 31 Cb 1.95 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.99 3k8b h LEU 31 CO 0.17 0.02 -0.97 0.18 -0.34 0.00 0.00 178.44 177.50 3k8b n LEU 32 N -4.29 0.63 -0.05 2.25 4.32 -1.06 -2.42 117.00 116.38 3k8b n LEU 32 Ca 0.25 -0.03 -0.06 0.00 -0.02 0.00 0.00 56.01 56.15 3k8b n LEU 32 Cb 1.15 -0.11 -0.06 0.00 -1.62 0.00 0.00 43.42 42.78 3k8b n LEU 32 CO 0.37 0.06 -0.82 -0.38 -1.22 0.00 0.00 177.39 175.40 3k8b n ILE 33 N -1.91 0.61 0.08 -0.08 5.41 -0.55 -3.83 119.36 119.10 3k8b n ILE 33 Ca 0.02 -0.31 -0.07 0.00 1.00 0.00 0.00 62.75 63.40 3k8b n ILE 33 Cb 0.42 -0.83 -0.03 0.00 -0.71 0.00 0.00 39.64 38.49 3k8b n ILE 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3k8b h VAL 34 N 0.00 1.60 -2.63 1.39 2.07 -1.29 -3.40 116.25 113.98 3k8b h VAL 34 Ca -0.24 -2.96 -0.60 0.00 0.82 0.00 0.00 66.70 63.72 3k8b h VAL 34 Cb 1.46 2.62 -0.39 0.00 -1.52 0.00 0.00 31.29 33.46 3k8b h VAL 34 CO -0.01 0.85 -0.84 -0.31 0.02 0.00 0.00 177.57 177.28 3k8b s TYR 35 N -3.01 1.78 -1.10 1.57 2.02 -1.01 -5.01 117.35 112.59 3k8b s TYR 35 Ca -0.01 -2.53 0.18 0.00 -0.37 0.00 0.00 57.07 54.34 3k8b s TYR 35 Cb 0.10 -1.48 0.79 0.00 -0.40 0.00 0.00 41.96 40.98 3k8b s TYR 35 CO 0.81 -0.75 1.56 -2.30 -1.57 0.00 0.00 175.55 173.30 3k8b n PRO 36 N 2.81 0.06 0.25 -1.71 -0.02 -1.25 -2.48 135.00 132.66 3k8b n PRO 36 Ca 0.23 0.18 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 3k8b n PRO 36 Cb 0.42 -1.50 0.64 0.00 -0.02 0.00 0.00 33.50 33.04 3k8b n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3k8b h TRP 37 N 0.00 0.00 0.00 6.00 0.09 -1.91 -2.81 115.95 117.32 3k8b h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3k8b h TRP 37 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.51 3k8b h TRP 37 CO 0.00 0.16 0.00 0.25 0.09 0.00 0.00 178.44 178.94 3k8b n THR 38 N -3.64 0.62 0.26 0.12 -2.24 -1.03 -2.46 114.28 105.91 3k8b n THR 38 Ca -0.01 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 3k8b n THR 38 Cb 0.29 -0.83 0.65 0.00 -2.10 0.00 0.00 70.33 68.35 3k8b n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3k8b h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.73 -2.87 115.11 113.93 3k8b h GLN 39 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3k8b h GLN 39 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3k8b h GLN 39 CO 0.00 0.00 -0.26 -0.09 -0.67 0.00 0.00 178.83 177.81 3k8b h ARG 40 N 0.00 0.00 -0.00 1.46 2.43 -1.73 -0.40 114.38 116.14 3k8b h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3k8b h ARG 40 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3k8b h ARG 40 CO 0.00 0.26 -0.11 1.19 -1.51 0.00 0.00 179.97 179.79 3k8b n PHE 41 N -3.43 0.00 -2.45 2.20 3.01 -1.08 -4.24 117.46 111.48 3k8b n PHE 41 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 3k8b n PHE 41 Cb 0.45 -0.22 0.03 0.00 -0.01 0.00 0.00 39.48 39.73 3k8b n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3k8b n PHE 42 N -1.05 2.09 0.12 1.38 3.01 -0.17 -4.81 117.46 118.04 3k8b n PHE 42 Ca 0.13 -2.34 -0.02 0.00 1.01 0.00 0.00 57.45 56.23 3k8b n PHE 42 Cb 0.28 -0.27 0.13 0.00 -0.01 0.00 0.00 39.48 39.61 3k8b n PHE 42 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k8b h ALA 43 N 2.47 0.89 -0.76 4.37 0.00 -1.72 -3.23 119.26 121.28 3k8b h ALA 43 Ca 0.12 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.49 3k8b h ALA 43 Cb 1.34 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3k8b h ALA 43 CO 0.52 0.82 0.45 0.66 0.00 0.00 0.00 179.25 181.70 3k8b h SER 44 N 0.02 0.69 -0.37 0.00 4.64 -1.92 -0.99 113.55 115.62 3k8b h SER 44 Ca -0.01 0.02 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 3k8b h SER 44 Cb 1.17 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3k8b h SER 44 CO 0.09 0.44 0.34 -0.26 -0.87 0.00 0.00 176.83 176.57 3k8b h PHE 45 N 0.82 0.00 0.00 4.77 0.05 -1.95 -3.47 116.94 117.16 3k8b h PHE 45 Ca 0.33 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.12 3k8b h PHE 45 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.13 3k8b h PHE 45 CO -0.05 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.49 3k8b n GLY 46 N -1.52 1.14 3.57 -1.45 0.00 -0.38 -4.81 105.19 101.74 3k8b n GLY 46 Ca 0.06 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 3k8b n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k8b s ASN 47 N -4.00 5.52 -0.12 1.61 3.84 -1.26 -4.71 114.94 115.82 3k8b s ASN 47 Ca 0.00 0.80 0.16 0.00 0.21 0.00 0.00 52.86 54.03 3k8b s ASN 47 Cb 0.00 -2.53 0.37 0.00 -0.55 0.00 0.00 41.25 38.55 3k8b s ASN 47 CO 0.00 -2.09 1.18 0.18 -2.79 0.00 0.00 177.10 173.58 3k8b n LEU 48 N 11.76 1.95 -0.69 3.21 4.77 -1.26 -4.10 117.00 132.64 3k8b n LEU 48 Ca 0.22 -3.01 0.10 0.00 -0.03 0.00 0.00 56.01 53.29 3k8b n LEU 48 Cb 0.50 -0.32 0.31 0.00 -2.33 0.00 0.00 43.42 41.58 3k8b n LEU 48 CO 0.70 0.96 0.74 -1.54 -1.33 0.00 0.00 177.39 176.92 3k8b n SER 49 N -0.59 2.05 -3.54 -1.43 3.41 -1.26 -4.79 113.62 107.47 3k8b n SER 49 Ca 0.13 -1.81 -0.15 0.00 -0.26 0.00 0.00 58.87 56.78 3k8b n SER 49 Cb 0.82 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.56 3k8b n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k8b s SER 50 N -1.46 -0.53 0.16 4.04 1.04 -1.26 -5.02 113.70 110.67 3k8b s SER 50 Ca 0.32 0.35 -0.24 0.00 0.48 0.00 0.00 55.95 56.87 3k8b s SER 50 Cb 0.18 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.85 3k8b s SER 50 CO 0.26 -0.70 1.60 -0.65 0.98 0.00 0.00 173.24 174.73 3k8b h PRO 51 N 2.81 -0.27 -0.51 4.02 0.11 -1.96 0.79 132.00 136.98 3k8b h PRO 51 Ca -0.30 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.93 3k8b h PRO 51 Cb 1.20 0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 3k8b h PRO 51 CO 0.40 -0.18 -0.24 1.15 -0.21 0.00 0.00 178.00 178.92 3k8b h THR 52 N -0.28 0.32 0.38 -1.15 2.02 -1.98 0.29 112.91 112.50 3k8b h THR 52 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3k8b h THR 52 Cb 0.53 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3k8b h THR 52 CO -0.49 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.07 3k8b h ALA 53 N 1.20 -0.74 -0.89 6.16 0.00 -1.70 0.15 119.26 123.43 3k8b h ALA 53 Ca 0.23 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.24 3k8b h ALA 53 Cb 0.48 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 3k8b h ALA 53 CO -0.58 -0.94 0.38 0.82 0.00 0.00 0.00 179.25 178.92 3k8b h ILE 54 N -0.72 0.45 -0.37 0.00 2.04 -0.18 0.10 117.51 118.83 3k8b h ILE 54 Ca -0.03 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 3k8b h ILE 54 Cb 0.64 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3k8b h ILE 54 CO -0.03 0.07 -0.27 -0.07 0.00 0.00 0.00 178.15 177.85 3k8b h LEU 55 N 0.37 0.88 0.00 1.44 -0.00 0.76 -3.26 115.31 115.50 3k8b h LEU 55 Ca 0.56 -0.44 -0.10 0.00 -0.00 0.00 0.00 57.88 57.91 3k8b h LEU 55 Cb 1.08 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 3k8b h LEU 55 CO -0.55 1.13 -0.67 1.23 -0.00 0.00 0.00 178.44 179.58 3k8b h GLY 56 N 0.64 0.00 -6.52 0.83 0.00 -0.04 -3.46 103.07 94.52 3k8b h GLY 56 Ca 0.07 0.00 -0.83 0.00 0.00 0.00 0.00 47.33 46.57 3k8b h GLY 56 CO 0.07 0.00 0.46 -2.01 0.00 0.00 0.00 176.54 175.06 3k8b n ASN 57 N -3.10 0.86 -0.06 0.19 2.85 0.30 -4.86 115.26 111.44 3k8b n ASN 57 Ca -0.00 1.17 -0.11 0.00 -0.11 0.00 0.00 54.58 55.53 3k8b n ASN 57 Cb 0.72 -0.93 -0.04 0.00 1.24 0.00 0.00 39.78 40.77 3k8b n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k8b h PRO 58 N 4.40 0.33 -0.27 1.20 0.11 -1.91 -2.59 132.00 133.26 3k8b h PRO 58 Ca -0.47 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.41 3k8b h PRO 58 Cb 1.39 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 3k8b h PRO 58 CO 0.85 0.43 -0.48 0.52 -0.21 0.00 0.00 178.00 179.10 3k8b h MET 59 N 0.17 0.74 -0.18 1.05 2.86 -1.89 -2.04 114.93 115.63 3k8b h MET 59 Ca 0.07 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 3k8b h MET 59 Cb 0.24 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3k8b h MET 59 CO -0.00 1.06 0.09 0.28 1.06 0.00 0.00 176.91 179.40 3k8b h VAL 60 N 0.58 1.12 -0.98 -2.22 2.07 -1.89 0.26 116.25 115.21 3k8b h VAL 60 Ca 0.03 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.30 3k8b h VAL 60 Cb 1.05 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 3k8b h VAL 60 CO 0.10 0.12 0.61 0.03 0.02 0.00 0.00 177.57 178.45 3k8b h ARG 61 N 0.17 0.97 0.00 1.57 3.08 -1.22 0.40 114.38 119.36 3k8b h ARG 61 Ca 0.06 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3k8b h ARG 61 Cb 0.11 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3k8b h ARG 61 CO -0.01 0.64 -0.57 0.00 -1.07 0.00 0.00 179.97 178.96 3k8b h ALA 62 N 1.51 0.77 0.22 0.04 0.00 -1.24 -2.74 119.26 117.83 3k8b h ALA 62 Ca 0.47 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k8b h ALA 62 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3k8b h ALA 62 CO -0.25 0.72 -0.11 1.25 0.00 0.00 0.00 179.25 180.86 3k8b h HIS 63 N 0.00 -0.28 -1.03 0.00 -0.00 0.11 -2.86 115.15 111.09 3k8b h HIS 63 Ca -0.01 -0.01 0.30 0.00 -0.00 0.00 0.00 60.37 60.65 3k8b h HIS 63 Cb 1.24 0.09 -0.13 0.00 -0.00 0.00 0.00 27.41 28.61 3k8b h HIS 63 CO 0.00 0.05 0.61 0.78 -0.00 0.00 0.00 177.93 179.37 3k8b h GLY 64 N -0.97 1.86 0.46 5.26 0.00 -0.37 0.32 103.07 109.62 3k8b h GLY 64 Ca -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.06 3k8b h GLY 64 CO 0.05 -0.35 -0.32 1.70 0.00 0.00 0.00 176.54 177.62 3k8b h LYS 65 N 0.41 -0.53 -0.29 4.80 3.64 -1.53 -1.52 116.57 121.55 3k8b h LYS 65 Ca 0.69 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 60.05 3k8b h LYS 65 Cb 1.55 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.48 3k8b h LYS 65 CO -0.51 -0.36 -0.08 0.87 -2.27 0.00 0.00 179.45 177.10 3k8b h LYS 66 N -0.55 0.47 -0.50 1.90 1.57 -0.40 0.27 116.57 119.33 3k8b h LYS 66 Ca 0.03 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 3k8b h LYS 66 Cb 0.58 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3k8b h LYS 66 CO -0.18 0.56 -0.05 0.28 -0.57 0.00 0.00 179.45 179.49 3k8b h VAL 67 N 0.44 1.26 0.12 0.50 2.07 -0.38 -2.56 116.25 117.70 3k8b h VAL 67 Ca 0.09 -1.13 -0.25 0.00 0.82 0.00 0.00 66.70 66.24 3k8b h VAL 67 Cb 0.42 0.93 0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3k8b h VAL 67 CO 0.02 0.39 -1.03 -0.07 0.02 0.00 0.00 177.57 176.90 3k8b h LEU 68 N 0.79 0.70 -1.89 2.57 3.38 -0.65 -2.29 115.31 117.92 3k8b h LEU 68 Ca 0.14 -0.86 0.40 0.00 0.09 0.00 0.00 57.88 57.65 3k8b h LEU 68 Cb 0.55 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3k8b h LEU 68 CO 0.03 1.49 1.06 0.74 0.09 0.00 0.00 178.44 181.86 3k8b h THR 69 N 0.00 0.22 0.04 0.22 2.02 -0.52 -1.91 112.91 112.98 3k8b h THR 69 Ca -0.16 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 3k8b h THR 69 Cb 1.76 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3k8b h THR 69 CO 0.20 0.00 -0.41 -1.28 0.37 0.00 0.00 175.52 174.39 3k8b h SER 70 N 0.00 0.30 -0.93 4.18 0.87 -0.98 -2.86 113.55 114.12 3k8b h SER 70 Ca 0.66 -0.86 0.22 0.00 -1.23 0.00 0.00 61.79 60.57 3k8b h SER 70 Cb 2.78 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 64.57 3k8b h SER 70 CO -0.01 1.13 0.62 -0.26 -0.53 0.00 0.00 176.83 177.78 3k8b h PHE 71 N -0.49 0.52 0.00 2.24 -1.00 -1.04 -0.19 116.94 116.98 3k8b h PHE 71 Ca -0.06 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.73 3k8b h PHE 71 Cb 1.23 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.63 3k8b h PHE 71 CO 0.20 0.12 0.00 0.78 -1.61 0.00 0.00 178.31 177.80 3k8b h GLY 72 N 0.38 0.00 2.00 -1.45 0.00 -1.22 -1.66 103.07 101.13 3k8b h GLY 72 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3k8b h GLY 72 CO -0.18 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.81 3k8b h ASP 73 N 0.00 0.00 0.02 0.19 5.19 -0.82 -2.74 116.42 118.26 3k8b h ASP 73 Ca 0.00 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.18 3k8b h ASP 73 Cb 0.52 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 3k8b h ASP 73 CO 0.00 0.00 -1.25 0.00 -3.12 0.00 0.00 179.24 174.87 3k8b h ALA 74 N 2.28 0.26 -0.83 3.45 0.00 -1.32 -3.10 119.26 119.99 3k8b h ALA 74 Ca 0.00 -1.17 0.19 0.00 0.00 0.00 0.00 54.91 53.93 3k8b h ALA 74 Cb 0.71 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 19.02 3k8b h ALA 74 CO 0.00 0.72 -0.04 0.28 0.00 0.00 0.00 179.25 180.21 3k8b h VAL 75 N -0.85 0.23 -0.11 0.00 2.07 -1.39 -1.75 116.25 114.46 3k8b h VAL 75 Ca -0.33 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3k8b h VAL 75 Cb 1.38 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3k8b h VAL 75 CO -0.15 0.01 0.01 0.11 0.02 0.00 0.00 177.57 177.58 3k8b h LYS 76 N 0.06 0.18 -3.09 1.57 1.57 -1.62 -3.38 116.57 111.86 3k8b h LYS 76 Ca 0.45 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 58.56 3k8b h LYS 76 Cb 0.81 -0.02 -0.41 0.00 0.08 0.00 0.00 32.23 32.69 3k8b h LYS 76 CO -0.77 0.39 -0.61 -0.80 -0.57 0.00 0.00 179.45 177.09 3k8b s ASN 77 N -5.63 4.47 0.35 0.86 -0.87 -0.70 -4.94 114.94 108.48 3k8b s ASN 77 Ca -0.14 -3.61 0.26 0.00 -1.57 0.00 0.00 52.86 47.79 3k8b s ASN 77 Cb 0.05 -1.54 0.77 0.00 -0.02 0.00 0.00 41.25 40.52 3k8b s ASN 77 CO 0.70 -0.12 1.74 -0.07 -2.57 0.00 0.00 177.10 176.78 3k8b h LEU 78 N 5.66 0.00 -3.56 0.60 4.07 -1.63 -2.37 115.31 118.08 3k8b h LEU 78 Ca 0.11 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.93 3k8b h LEU 78 Cb 0.79 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.45 3k8b h LEU 78 CO 0.68 0.00 0.17 0.47 -1.08 0.00 0.00 178.44 178.69 3k8b n ASP 79 N -2.67 5.00 0.00 -0.43 8.00 -1.26 -4.06 116.55 121.13 3k8b n ASP 79 Ca 0.04 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.47 3k8b n ASP 79 Cb 0.41 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 3k8b n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3k8b n ASN 80 N 0.13 0.00 -0.31 -2.24 5.15 -1.13 -4.99 115.26 111.88 3k8b n ASN 80 Ca 0.35 -1.00 0.14 0.00 -0.60 0.00 0.00 54.58 53.47 3k8b n ASN 80 Cb 1.28 0.00 0.30 0.00 -0.53 0.00 0.00 39.78 40.83 3k8b n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3k8b h ILE 81 N 2.57 0.19 -0.15 -1.44 2.04 -1.57 -1.38 117.51 117.78 3k8b h ILE 81 Ca 0.00 -0.04 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 3k8b h ILE 81 Cb 0.89 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3k8b h ILE 81 CO 0.00 0.02 -0.62 0.07 0.00 0.00 0.00 178.15 177.62 3k8b h LYS 82 N 0.11 0.51 -0.11 2.37 2.10 -1.90 -2.34 116.57 117.32 3k8b h LYS 82 Ca 0.57 -0.36 -0.07 0.00 -2.00 0.00 0.00 60.65 58.80 3k8b h LYS 82 Cb 1.19 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 3k8b h LYS 82 CO -0.76 0.97 -0.25 -0.91 -2.00 0.00 0.00 179.45 176.51 3k8b h ASN 83 N 0.38 0.19 0.05 7.07 4.21 -1.66 -2.02 115.58 123.80 3k8b h ASN 83 Ca -0.01 -0.05 -0.18 0.00 1.21 0.00 0.00 56.30 57.27 3k8b h ASN 83 Cb 1.17 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 38.32 3k8b h ASN 83 CO 0.11 0.45 -0.64 0.74 -1.29 0.00 0.00 177.43 176.80 3k8b h THR 84 N 0.18 1.33 -0.58 2.81 2.02 -1.03 -3.23 112.91 114.40 3k8b h THR 84 Ca 0.03 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.28 3k8b h THR 84 Cb 0.54 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3k8b h THR 84 CO 0.04 0.60 0.00 0.49 0.37 0.00 0.00 175.52 177.01 3k8b n PHE 85 N -3.92 1.00 -0.13 3.16 3.01 -0.91 -4.55 117.46 115.12 3k8b n PHE 85 Ca -0.04 -0.56 -0.10 0.00 1.01 0.00 0.00 57.45 57.76 3k8b n PHE 85 Cb 0.66 -0.10 -0.01 0.00 -0.01 0.00 0.00 39.48 40.02 3k8b n PHE 85 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3k8b h SER 86 N 3.52 0.60 0.55 4.37 0.87 -1.38 0.13 113.55 122.20 3k8b h SER 86 Ca 0.00 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 3k8b h SER 86 Cb 1.10 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3k8b h SER 86 CO 0.08 0.68 -0.46 -0.61 -0.53 0.00 0.00 176.83 175.99 3k8b h GLN 87 N 0.49 0.00 0.00 2.24 4.15 -1.82 -1.93 115.11 118.25 3k8b h GLN 87 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3k8b h GLN 87 Cb 0.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3k8b h GLN 87 CO 0.00 0.46 -0.18 -0.07 -1.93 0.00 0.00 178.83 177.10 3k8b h LEU 88 N 0.00 0.00 -0.05 -2.39 3.38 -1.78 -3.05 115.31 111.42 3k8b h LEU 88 Ca -0.00 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3k8b h LEU 88 Cb 0.85 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.61 3k8b h LEU 88 CO 0.06 0.01 -0.51 -1.28 0.09 0.00 0.00 178.44 176.82 3k8b h SER 89 N 0.00 0.53 -0.75 -0.43 0.87 0.02 -1.50 113.55 112.29 3k8b h SER 89 Ca 0.00 -0.70 0.11 0.00 -1.23 0.00 0.00 61.79 59.97 3k8b h SER 89 Cb 0.86 -0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.59 3k8b h SER 89 CO 0.00 1.15 0.36 -0.33 -0.53 0.00 0.00 176.83 177.48 3k8b h GLU 90 N -0.05 0.57 0.28 2.24 5.08 -1.48 -1.91 114.58 119.31 3k8b h GLU 90 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3k8b h GLU 90 Cb 1.18 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3k8b h GLU 90 CO 0.10 0.38 -0.13 1.25 -1.00 0.00 0.00 179.01 179.61 3k8b h LEU 91 N 0.59 -0.31 -0.84 1.33 5.85 -1.47 -0.85 115.31 119.60 3k8b h LEU 91 Ca 0.38 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 3k8b h LEU 91 Cb 0.46 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3k8b h LEU 91 CO -0.31 0.09 -0.53 0.45 -0.34 0.00 0.00 178.44 177.80 3k8b h HIS 92 N -0.78 0.00 0.01 1.25 3.86 -1.27 0.14 115.15 118.35 3k8b h HIS 92 Ca -0.04 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.77 3k8b h HIS 92 Cb 0.51 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.91 3k8b h HIS 92 CO 0.04 0.53 -2.43 0.00 0.86 0.00 0.00 177.93 176.93 3k8b h ASP 94 N -0.33 0.37 0.00 0.00 3.45 -1.30 -3.20 116.42 115.41 3k8b h ASP 94 Ca -0.60 -0.85 0.00 0.00 0.43 0.00 0.00 57.03 56.01 3k8b h ASP 94 Cb 1.81 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 40.45 3k8b h ASP 94 CO -0.18 1.63 -1.86 1.17 -1.57 0.00 0.00 179.24 178.43 3k8b n LYS 95 N -3.90 0.60 -0.01 3.56 3.00 -0.85 -4.60 118.16 115.95 3k8b n LYS 95 Ca -0.26 -0.17 0.01 0.00 -0.00 0.00 0.00 58.31 57.89 3k8b n LYS 95 Cb 0.91 -1.47 -0.04 0.00 0.00 0.00 0.00 35.03 34.42 3k8b n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3k8b n LEU 96 N -2.15 0.00 -3.69 3.14 4.32 0.47 -5.00 117.00 114.07 3k8b n LEU 96 Ca -0.03 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.64 3k8b n LEU 96 Cb 0.51 0.04 0.04 0.00 -1.62 0.00 0.00 43.42 42.40 3k8b n LEU 96 CO 0.42 0.04 -0.08 1.41 -1.22 0.00 0.00 177.39 177.97 3k8b n HIS 97 N -1.86 -1.89 -3.40 -1.77 8.25 -0.86 -4.93 115.22 108.75 3k8b n HIS 97 Ca -0.04 0.44 -0.39 0.00 -0.26 0.00 0.00 57.72 57.48 3k8b n HIS 97 Cb 0.32 -3.42 -0.08 0.00 1.12 0.00 0.00 29.99 27.92 3k8b n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3k8b s VAL 98 N -3.47 5.19 0.23 1.59 1.01 0.52 -5.02 120.40 120.45 3k8b s VAL 98 Ca 0.47 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3k8b s VAL 98 Cb -0.17 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 3k8b s VAL 98 CO 0.86 0.20 1.42 -0.62 0.00 0.00 0.00 175.10 176.96 3k8b s ASP 99 N 1.36 6.71 0.66 3.32 2.15 -1.26 -4.72 116.67 124.89 3k8b s ASP 99 Ca 0.16 2.60 0.44 0.00 0.43 0.00 0.00 52.55 56.18 3k8b s ASP 99 Cb -0.15 -2.62 2.40 0.00 -0.30 0.00 0.00 42.92 42.25 3k8b s ASP 99 CO 0.09 -0.67 2.37 -0.65 -0.17 0.00 0.00 175.17 176.14 3k8b h PRO 100 N 5.22 0.00 -0.37 4.34 0.11 -1.97 0.61 132.00 139.95 3k8b h PRO 100 Ca -0.45 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.72 3k8b h PRO 100 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3k8b h PRO 100 CO 0.78 0.00 0.25 1.49 -0.21 0.00 0.00 178.00 180.32 3k8b h GLU 101 N 0.00 0.21 0.00 1.05 4.57 -1.98 -1.94 114.58 116.49 3k8b h GLU 101 Ca 0.00 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 3k8b h GLU 101 Cb 0.01 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3k8b h GLU 101 CO -0.00 0.14 -0.41 -0.91 -1.18 0.00 0.00 179.01 176.65 3k8b h ASN 102 N 0.22 0.00 -0.38 1.04 4.21 -1.23 -0.18 115.58 119.26 3k8b h ASN 102 Ca 0.17 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.66 3k8b h ASN 102 Cb 0.38 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.57 3k8b h ASN 102 CO -0.03 0.41 0.16 -0.26 -1.29 0.00 0.00 177.43 176.42 3k8b h PHE 103 N 0.00 0.58 -0.88 1.19 0.04 -1.49 0.63 116.94 117.01 3k8b h PHE 103 Ca -0.00 -0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.77 3k8b h PHE 103 Cb 0.90 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.82 3k8b h PHE 103 CO 0.00 0.51 0.56 -0.09 -0.60 0.00 0.00 178.31 178.69 3k8b h ARG 104 N 0.48 1.02 -0.06 1.51 1.12 -1.15 -1.94 114.38 115.36 3k8b h ARG 104 Ca 0.13 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.86 3k8b h ARG 104 Cb 0.17 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 3k8b h ARG 104 CO -0.01 0.67 -0.34 -0.07 -3.11 0.00 0.00 179.97 177.11 3k8b h LEU 105 N 1.05 0.12 -0.40 3.80 3.38 -0.50 -1.24 115.31 121.52 3k8b h LEU 105 Ca 0.37 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 3k8b h LEU 105 Cb 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3k8b h LEU 105 CO -0.15 0.46 -0.65 0.25 0.09 0.00 0.00 178.44 178.44 3k8b h LEU 106 N 0.10 0.65 0.69 1.67 5.85 -0.34 -2.89 115.31 121.05 3k8b h LEU 106 Ca 0.01 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3k8b h LEU 106 Cb 0.66 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.51 3k8b h LEU 106 CO 0.05 1.13 -0.33 1.23 -0.34 0.00 0.00 178.44 180.17 3k8b h GLY 107 N 1.03 -0.97 -0.27 3.75 0.00 -0.92 0.18 103.07 105.87 3k8b h GLY 107 Ca -0.02 0.36 0.30 0.00 0.00 0.00 0.00 47.33 47.97 3k8b h GLY 107 CO 0.12 -0.35 0.72 -0.55 0.00 0.00 0.00 176.54 176.47 3k8b h ASP 108 N -1.05 0.34 -0.06 0.19 3.45 -1.32 0.63 116.42 118.61 3k8b h ASP 108 Ca -0.10 0.07 -0.22 0.00 0.43 0.00 0.00 57.03 57.21 3k8b h ASP 108 Cb 0.74 0.02 0.02 0.00 -0.56 0.00 0.00 39.33 39.55 3k8b h ASP 108 CO 0.16 0.04 -0.84 0.40 -1.57 0.00 0.00 179.24 177.43 3k8b h ILE 109 N 0.29 1.31 -0.44 0.35 2.04 -1.23 -3.00 117.51 116.83 3k8b h ILE 109 Ca 0.61 -2.09 0.06 0.00 1.00 0.00 0.00 64.86 64.44 3k8b h ILE 109 Cb 1.74 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 40.05 3k8b h ILE 109 CO -0.26 0.64 0.15 0.25 0.00 0.00 0.00 178.15 178.94 3k8b h LEU 110 N 0.33 0.14 -0.69 1.44 5.85 0.16 -0.39 115.31 122.15 3k8b h LEU 110 Ca -0.09 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.80 3k8b h LEU 110 Cb 1.49 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.48 3k8b h LEU 110 CO 0.17 0.11 0.28 0.40 -0.34 0.00 0.00 178.44 179.06 3k8b h ILE 111 N 0.31 0.74 -0.39 4.05 1.08 -1.25 0.58 117.51 122.63 3k8b h ILE 111 Ca 0.21 -0.16 -0.15 0.00 -0.39 0.00 0.00 64.86 64.38 3k8b h ILE 111 Cb 0.21 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 3k8b h ILE 111 CO -0.22 0.08 -0.33 0.40 -0.69 0.00 0.00 178.15 177.39 3k8b h ILE 112 N 0.46 1.27 -0.73 -0.67 2.04 -1.25 0.54 117.51 119.17 3k8b h ILE 112 Ca 0.36 -1.50 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 3k8b h ILE 112 Cb 0.48 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3k8b h ILE 112 CO -0.34 0.50 0.38 0.58 0.00 0.00 0.00 178.15 179.27 3k8b h VAL 113 N 0.74 1.23 -0.21 1.67 2.07 -0.28 0.34 116.25 121.81 3k8b h VAL 113 Ca 0.07 -0.60 -0.21 0.00 0.82 0.00 0.00 66.70 66.79 3k8b h VAL 113 Cb 0.90 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3k8b h VAL 113 CO 0.08 0.26 -0.68 -0.07 0.02 0.00 0.00 177.57 177.19 3k8b h LEU 114 N 1.01 0.96 -0.54 2.57 3.38 0.50 -0.59 115.31 122.60 3k8b h LEU 114 Ca 0.26 -0.59 0.10 0.00 0.09 0.00 0.00 57.88 57.73 3k8b h LEU 114 Cb 0.06 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.46 3k8b h LEU 114 CO -0.04 1.38 0.10 0.00 0.09 0.00 0.00 178.44 179.97 3k8b h ALA 115 N 0.60 0.61 -0.57 1.53 0.00 0.15 -1.69 119.26 119.89 3k8b h ALA 115 Ca -0.02 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3k8b h ALA 115 Cb 1.30 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 3k8b h ALA 115 CO 0.14 -0.32 0.11 0.00 0.00 0.00 0.00 179.25 179.19 3k8b h ALA 116 N 1.43 0.66 -0.17 0.00 0.00 -0.60 0.16 119.26 120.74 3k8b h ALA 116 Ca 0.28 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 3k8b h ALA 116 Cb 0.39 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3k8b h ALA 116 CO -0.37 -0.31 -0.12 1.25 0.00 0.00 0.00 179.25 179.70 3k8b h HIS 117 N 0.24 0.44 0.00 0.00 6.17 -0.18 -3.34 115.15 118.49 3k8b h HIS 117 Ca 0.30 -0.12 -0.20 0.00 0.71 0.00 0.00 60.37 61.06 3k8b h HIS 117 Cb 0.43 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 30.22 3k8b h HIS 117 CO -0.25 0.72 -2.10 1.19 0.71 0.00 0.00 177.93 178.20 3k8b n PHE 118 N -4.57 0.14 -2.48 5.26 3.72 -1.01 -5.09 117.46 113.44 3k8b n PHE 118 Ca -0.06 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3k8b n PHE 118 Cb 0.34 -0.82 0.00 0.00 -0.94 0.00 0.00 39.48 38.06 3k8b n PHE 118 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3k8b n SER 119 N -2.58 -0.41 -0.01 4.37 3.41 0.54 -3.24 113.62 115.70 3k8b n SER 119 Ca -0.18 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.45 3k8b n SER 119 Cb 0.88 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.87 3k8b n SER 119 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3k8b n LYS 120 N 0.00 0.00 0.24 4.33 5.02 -1.26 0.36 118.16 126.85 3k8b n LYS 120 Ca 0.00 0.10 0.11 0.00 -2.02 0.00 0.00 58.31 56.50 3k8b n LYS 120 Cb 0.00 -0.26 0.58 0.00 -0.02 0.00 0.00 35.03 35.34 3k8b n LYS 120 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3k8b h ASP 121 N 0.00 0.00 -2.79 4.39 5.19 -1.94 -3.35 116.42 117.92 3k8b h ASP 121 Ca 0.04 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.74 3k8b h ASP 121 Cb 0.27 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 39.59 3k8b h ASP 121 CO -0.00 0.19 0.56 0.12 -3.12 0.00 0.00 179.24 176.99 3k8b s PHE 122 N -3.92 3.21 0.42 4.55 5.36 1.14 -4.95 117.98 123.79 3k8b s PHE 122 Ca -0.01 -1.41 -0.00 0.00 -0.96 0.00 0.00 56.93 54.55 3k8b s PHE 122 Cb 0.12 -4.15 -0.01 0.00 -0.34 0.00 0.00 43.02 38.63 3k8b s PHE 122 CO 0.62 -1.37 0.65 0.95 -1.46 0.00 0.00 175.22 174.60 3k8b s THR 123 N 2.24 4.39 0.29 0.12 -4.23 -1.26 -4.79 115.64 112.41 3k8b s THR 123 Ca 0.26 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.38 3k8b s THR 123 Cb -0.09 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.41 3k8b s THR 123 CO -0.06 -0.44 1.76 -0.65 -0.54 0.00 0.00 174.62 174.69 3k8b h PRO 124 N 0.48 0.67 -0.58 3.99 0.11 -1.94 0.65 132.00 135.38 3k8b h PRO 124 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3k8b h PRO 124 Cb 1.24 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3k8b h PRO 124 CO 0.59 0.44 0.10 1.05 -0.21 0.00 0.00 178.00 179.97 3k8b h GLU 125 N 0.69 0.92 -0.03 1.05 9.09 -1.99 0.71 114.58 125.03 3k8b h GLU 125 Ca 0.55 -0.22 -0.16 0.00 0.05 0.00 0.00 59.36 59.58 3k8b h GLU 125 Cb 0.86 -0.12 0.01 0.00 -1.65 0.00 0.00 28.75 27.85 3k8b h GLU 125 CO -0.39 0.85 -0.62 0.00 0.05 0.00 0.00 179.01 178.90 3k8b h GLN 127 N 0.02 -0.07 -0.99 0.00 4.15 0.19 -0.68 115.11 117.73 3k8b h GLN 127 Ca -0.07 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.50 3k8b h GLN 127 Cb 1.31 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.92 3k8b h GLN 127 CO 0.12 -0.05 0.61 0.00 -1.93 0.00 0.00 178.83 177.59 3k8b h ALA 128 N 1.12 1.54 -0.11 3.38 0.00 -0.77 0.40 119.26 124.81 3k8b h ALA 128 Ca 0.12 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 3k8b h ALA 128 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k8b h ALA 128 CO -0.27 0.13 -0.78 0.00 0.00 0.00 0.00 179.25 178.33 3k8b h ALA 129 N 1.57 0.42 0.00 0.00 0.00 -1.08 -2.18 119.26 117.98 3k8b h ALA 129 Ca 0.52 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k8b h ALA 129 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3k8b h ALA 129 CO -0.31 0.72 -0.03 -1.49 0.00 0.00 0.00 179.25 178.15 3k8b h TRP 130 N 0.41 0.00 -0.05 0.00 4.06 -0.42 -0.66 115.95 119.30 3k8b h TRP 130 Ca -0.05 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.74 3k8b h TRP 130 Cb 1.39 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.56 3k8b h TRP 130 CO 0.07 0.00 -0.60 1.96 -3.56 0.00 0.00 178.44 176.31 3k8b h GLN 131 N 0.00 0.49 -0.04 0.49 1.08 -0.19 -2.90 115.11 114.04 3k8b h GLN 131 Ca 0.00 -0.46 -0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3k8b h GLN 131 Cb 0.89 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 3k8b h GLN 131 CO 0.00 1.10 0.02 -0.22 -0.95 0.00 0.00 178.83 178.78 3k8b h LYS 132 N 0.05 0.05 -0.63 1.46 3.64 -0.96 0.29 116.57 120.47 3k8b h LYS 132 Ca -0.06 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3k8b h LYS 132 Cb 1.27 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 3k8b h LYS 132 CO 0.12 0.08 0.32 1.25 -2.27 0.00 0.00 179.45 178.95 3k8b h LEU 133 N 0.01 0.43 -0.53 5.20 5.85 -1.25 -0.99 115.31 124.03 3k8b h LEU 133 Ca 0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3k8b h LEU 133 Cb 0.04 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3k8b h LEU 133 CO -0.00 0.27 0.29 0.58 -0.34 0.00 0.00 178.44 179.24 3k8b h VAL 134 N 0.58 1.18 -0.65 1.05 2.07 -1.24 -1.23 116.25 118.01 3k8b h VAL 134 Ca 0.30 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3k8b h VAL 134 Cb 0.25 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3k8b h VAL 134 CO -0.22 0.19 0.37 0.03 0.02 0.00 0.00 177.57 177.96 3k8b h ARG 135 N 0.71 0.67 0.00 1.57 -0.00 -0.39 -1.50 114.38 115.44 3k8b h ARG 135 Ca 0.19 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.98 59.51 3k8b h ARG 135 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 29.85 3k8b h ARG 135 CO -0.03 0.44 -0.56 -0.39 0.00 0.00 0.00 179.97 179.43 3k8b h VAL 136 N 0.69 1.17 -0.01 2.04 -1.51 -0.66 -1.50 116.25 116.46 3k8b h VAL 136 Ca 0.28 -2.11 -0.02 0.00 -1.23 0.00 0.00 66.70 63.63 3k8b h VAL 136 Cb 0.15 2.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 3k8b h VAL 136 CO -0.16 0.55 -0.05 0.58 -1.23 0.00 0.00 177.57 177.25 3k8b h VAL 137 N 0.00 1.53 -0.51 7.19 2.07 -1.08 -0.97 116.25 124.48 3k8b h VAL 137 Ca -0.01 -1.63 0.15 0.00 0.82 0.00 0.00 66.70 66.03 3k8b h VAL 137 Cb 1.17 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 3k8b h VAL 137 CO 0.07 0.43 0.37 0.00 0.02 0.00 0.00 177.57 178.46 3k8b h ALA 138 N 0.33 2.46 0.15 1.67 0.00 -1.22 -0.16 119.26 122.50 3k8b h ALA 138 Ca -0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 3k8b h ALA 138 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k8b h ALA 138 CO 0.01 -0.61 -1.60 1.25 0.00 0.00 0.00 179.25 178.30 3k8b h HIS 139 N 0.02 0.60 0.00 0.00 6.17 -1.18 -2.24 115.15 118.52 3k8b h HIS 139 Ca 0.24 -0.43 0.00 0.00 0.71 0.00 0.00 60.37 60.89 3k8b h HIS 139 Cb 0.95 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.86 3k8b h HIS 139 CO -0.00 1.50 0.00 0.00 0.71 0.00 0.00 177.93 180.14 3k8b h ALA 140 N 0.33 1.00 0.00 5.26 0.00 -0.49 -1.82 119.26 123.54 3k8b h ALA 140 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 3k8b h ALA 140 Cb 2.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 3k8b h ALA 140 CO 0.18 0.00 -1.50 1.25 0.00 0.00 0.00 179.25 179.18 3k8b h LEU 141 N 0.00 0.00 -0.84 0.00 7.12 -1.03 -3.28 115.31 117.29 3k8b h LEU 141 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3k8b h LEU 141 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 3k8b h LEU 141 CO 0.00 0.91 -0.23 0.00 -0.13 0.00 0.00 178.44 178.98 3k8b n ALA 142 N -2.48 3.03 -0.25 1.25 0.00 -0.85 -4.33 120.51 116.89 3k8b n ALA 142 Ca -0.12 -0.49 0.06 0.00 0.00 0.00 0.00 53.44 52.88 3k8b n ALA 142 Cb 0.99 -1.03 0.18 0.00 0.00 0.00 0.00 19.45 19.58 3k8b n ALA 142 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3k8b h ARG 143 N 2.04 0.21 -0.90 0.00 0.11 -1.39 0.41 114.38 114.86 3k8b h ARG 143 Ca 0.00 -0.01 0.13 0.00 0.10 0.00 0.00 59.98 60.20 3k8b h ARG 143 Cb 0.61 -0.05 -0.07 0.00 1.11 0.00 0.00 29.97 31.57 3k8b h ARG 143 CO 0.00 0.14 0.58 -0.22 0.10 0.00 0.00 179.97 180.57 3k8b h LYS 144 N 0.22 0.73 0.00 0.08 1.63 -1.83 -3.13 116.57 114.27 3k8b h LYS 144 Ca 0.42 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 3k8b h LYS 144 Cb 0.73 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 3k8b h LYS 144 CO -0.55 0.48 0.00 0.66 -3.45 0.00 0.00 179.45 176.59 3k8b n TYR 145 N -4.56 0.00 0.00 1.91 4.01 0.14 -5.04 117.16 113.62 3k8b n TYR 145 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3k8b n TYR 145 Cb 0.43 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3k8b n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01