#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koy n ASP 6 N 0.00 0.00 -0.36 1.67 -0.08 -1.26 -4.47 116.55 112.05 3koy n ASP 6 Ca 0.00 0.00 0.31 0.00 -1.51 0.00 0.00 54.79 53.59 3koy n ASP 6 Cb 0.00 0.00 0.54 0.00 2.34 0.00 0.00 41.12 44.00 3koy n ASP 6 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3koy n PHE 7 N 0.00 0.69 -0.19 -0.67 7.35 -1.26 -0.81 117.46 122.57 3koy n PHE 7 Ca 0.00 0.69 -0.10 0.00 -0.76 0.00 0.00 57.45 57.28 3koy n PHE 7 Cb 0.00 -1.11 0.01 0.00 0.35 0.00 0.00 39.48 38.74 3koy n PHE 7 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3koy h GLN 8 N 0.00 1.05 0.00 -4.13 5.75 -2.00 -2.44 115.11 113.34 3koy h GLN 8 Ca 0.72 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 3koy h GLN 8 Cb 2.22 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.70 3koy h GLN 8 CO -0.45 1.09 -0.06 1.04 -2.65 0.00 0.00 178.83 177.79 3koy n GLN 9 N -4.14 0.02 0.04 1.69 6.02 0.01 -3.42 117.38 117.60 3koy n GLN 9 Ca 0.01 0.02 0.11 0.00 -0.01 0.00 0.00 57.00 57.13 3koy n GLN 9 Cb 0.41 -1.52 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 3koy n GLN 9 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3koy n ARG 10 N -1.56 0.53 -0.01 -1.09 1.74 -1.02 -3.89 116.66 111.35 3koy n ARG 10 Ca 0.07 -0.03 0.13 0.00 -0.77 0.00 0.00 57.85 57.24 3koy n ARG 10 Cb 0.35 -1.64 0.27 0.00 -1.02 0.00 0.00 32.46 30.41 3koy n ARG 10 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3koy n ARG 11 N -2.31 2.08 -0.06 5.56 1.85 -0.95 -4.50 116.66 118.33 3koy n ARG 11 Ca -0.01 -1.57 -0.09 0.00 -1.00 0.00 0.00 57.85 55.18 3koy n ARG 11 Cb 0.52 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 30.43 3koy n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3koy h ALA 12 N 4.55 -0.31 0.00 2.89 0.00 -1.67 0.26 119.26 124.98 3koy h ALA 12 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3koy h ALA 12 Cb 0.80 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3koy h ALA 12 CO 0.00 -0.78 0.00 -2.39 0.00 0.00 0.00 179.25 176.08 3koy n HIS 13 N -5.41 0.00 -0.04 0.00 1.44 -1.26 -1.20 115.22 108.75 3koy n HIS 13 Ca -0.01 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.74 3koy n HIS 13 Cb 0.34 -0.29 -0.16 0.00 0.12 0.00 0.00 29.99 29.99 3koy n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3koy n LEU 14 N -1.29 0.03 -0.40 2.39 4.77 0.73 -4.58 117.00 118.65 3koy n LEU 14 Ca 0.07 0.01 0.33 0.00 -0.03 0.00 0.00 56.01 56.39 3koy n LEU 14 Cb 0.11 0.16 0.61 0.00 -2.33 0.00 0.00 43.42 41.97 3koy n LEU 14 CO 0.11 0.16 1.23 0.00 -1.33 0.00 0.00 177.39 177.56 3koy h ALA 15 N 1.67 2.58 -0.04 -1.18 0.00 0.47 -2.23 119.26 120.53 3koy h ALA 15 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3koy h ALA 15 Cb 1.41 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3koy h ALA 15 CO 0.01 -1.15 0.00 0.09 0.00 0.00 0.00 179.25 178.21 3koy n ASN 16 N -4.68 2.97 -4.79 0.00 3.02 -1.26 -4.96 115.26 105.56 3koy n ASN 16 Ca 0.34 -1.97 -0.33 0.00 -0.03 0.00 0.00 54.58 52.58 3koy n ASN 16 Cb 1.26 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 40.42 3koy n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3koy s LEU 17 N -1.93 3.64 0.67 3.41 1.43 -0.84 -5.03 118.68 120.03 3koy s LEU 17 Ca 0.28 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 3koy s LEU 17 Cb 0.20 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.87 3koy s LEU 17 CO 0.29 -1.07 1.06 -0.94 0.23 0.00 0.00 176.35 175.92 3koy s SER 18 N -2.36 5.64 0.37 2.29 1.04 -1.26 -4.82 113.70 114.60 3koy s SER 18 Ca 0.66 1.15 0.12 0.00 0.48 0.00 0.00 55.95 58.37 3koy s SER 18 Cb -0.17 -2.03 0.92 0.00 0.10 0.00 0.00 66.02 64.84 3koy s SER 18 CO 0.30 -1.20 1.83 0.44 0.98 0.00 0.00 173.24 175.59 3koy h ASP 19 N -0.52 0.58 0.52 7.02 3.32 -1.99 -0.70 116.42 124.64 3koy h ASP 19 Ca -0.45 0.06 -0.17 0.00 0.02 0.00 0.00 57.03 56.49 3koy h ASP 19 Cb 1.24 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3koy h ASP 19 CO 0.63 0.24 -0.74 -0.33 -1.72 0.00 0.00 179.24 177.32 3koy h GLU 20 N 0.58 0.18 -0.18 3.56 3.07 -1.99 -2.13 114.58 117.67 3koy h GLU 20 Ca 0.50 -0.16 -0.14 0.00 -0.50 0.00 0.00 59.36 59.06 3koy h GLU 20 Cb 0.99 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3koy h GLU 20 CO -0.24 0.84 -0.44 0.93 -1.40 0.00 0.00 179.01 178.70 3koy h GLU 21 N 0.11 0.61 -0.72 2.33 5.08 -1.57 0.61 114.58 121.03 3koy h GLU 21 Ca -0.02 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 3koy h GLU 21 Cb 1.31 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 3koy h GLU 21 CO 0.11 1.04 0.22 1.25 -1.00 0.00 0.00 179.01 180.63 3koy h LEU 22 N 0.28 1.05 -0.08 1.33 5.85 -1.13 -0.11 115.31 122.50 3koy h LEU 22 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3koy h LEU 22 Cb 1.05 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3koy h LEU 22 CO 0.10 0.98 0.01 -0.61 -0.34 0.00 0.00 178.44 178.57 3koy h GLN 23 N 1.08 0.15 -0.68 1.25 4.15 -1.39 -2.32 115.11 117.33 3koy h GLN 23 Ca 0.23 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.71 3koy h GLN 23 Cb 0.31 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 3koy h GLN 23 CO -0.01 0.39 0.45 1.15 -1.93 0.00 0.00 178.83 178.88 3koy h THR 24 N -0.11 0.92 0.16 2.39 2.02 -0.26 -2.18 112.91 115.84 3koy h THR 24 Ca 0.02 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3koy h THR 24 Cb 0.32 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3koy h THR 24 CO 0.00 0.10 -0.08 -0.09 0.37 0.00 0.00 175.52 175.83 3koy h ARG 25 N 0.54 -0.20 -0.91 6.66 2.43 -0.98 -2.11 114.38 119.80 3koy h ARG 25 Ca 0.31 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.65 3koy h ARG 25 Cb 0.50 0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 29.95 3koy h ARG 25 CO -0.10 0.21 -0.33 0.34 -1.51 0.00 0.00 179.97 178.58 3koy n PHE 26 N -4.97 0.09 0.03 2.20 7.35 -0.88 -0.82 117.46 120.47 3koy n PHE 26 Ca -0.09 1.12 -0.14 0.00 -0.76 0.00 0.00 57.45 57.58 3koy n PHE 26 Cb 0.26 -0.88 -0.04 0.00 0.35 0.00 0.00 39.48 39.17 3koy n PHE 26 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3koy h TRP 27 N 0.00 0.78 0.00 -5.13 4.06 -1.38 0.07 115.95 114.35 3koy h TRP 27 Ca 0.34 -0.38 -0.06 0.00 2.06 0.00 0.00 58.89 60.85 3koy h TRP 27 Cb 0.57 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 3koy h TRP 27 CO -0.78 1.19 -0.29 1.05 -3.56 0.00 0.00 178.44 176.05 3koy h GLU 28 N 0.35 0.00 0.11 0.49 4.11 -0.64 -0.26 114.58 118.75 3koy h GLU 28 Ca -0.06 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.08 3koy h GLU 28 Cb 1.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 3koy h GLU 28 CO 0.16 0.29 -1.34 1.98 0.07 0.00 0.00 179.01 180.16 3koy h MET 29 N 0.00 0.24 -0.66 1.06 4.05 -0.93 -2.04 114.93 116.64 3koy h MET 29 Ca -0.00 -0.41 0.04 0.00 -0.28 0.00 0.00 59.70 59.05 3koy h MET 29 Cb 0.82 0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.72 3koy h MET 29 CO 0.04 1.15 0.40 0.00 0.23 0.00 0.00 176.91 178.72 3koy h ALA 30 N 0.59 0.86 -0.44 0.39 0.00 -0.55 -2.05 119.26 118.07 3koy h ALA 30 Ca -0.17 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3koy h ALA 30 Cb 1.98 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3koy h ALA 30 CO 0.18 0.14 -0.25 1.49 0.00 0.00 0.00 179.25 180.81 3koy h GLU 31 N 0.77 0.95 -0.90 0.00 4.81 -1.06 -2.55 114.58 116.60 3koy h GLU 31 Ca 0.27 -0.43 0.14 0.00 -0.13 0.00 0.00 59.36 59.22 3koy h GLU 31 Cb 0.06 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.35 3koy h GLU 31 CO -0.12 1.09 0.58 0.87 -0.73 0.00 0.00 179.01 180.70 3koy h LYS 32 N 0.78 0.68 -0.17 1.92 1.57 -1.14 -2.01 116.57 118.20 3koy h LYS 32 Ca 0.09 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 3koy h LYS 32 Cb 0.83 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.99 3koy h LYS 32 CO 0.07 0.45 -0.56 0.82 -0.57 0.00 0.00 179.45 179.66 3koy h ILE 33 N 0.70 1.32 0.00 1.86 2.04 -0.99 -3.36 117.51 119.08 3koy h ILE 33 Ca 0.45 -1.80 -0.09 0.00 1.00 0.00 0.00 64.86 64.43 3koy h ILE 33 Cb 0.72 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3koy h ILE 33 CO -0.21 0.56 -0.97 -0.37 0.00 0.00 0.00 178.15 177.16 3koy h VAL 34 N 0.38 0.36 -0.49 1.67 -1.51 -1.30 -3.39 116.25 111.97 3koy h VAL 34 Ca -0.02 -1.63 0.09 0.00 -1.23 0.00 0.00 66.70 63.91 3koy h VAL 34 Cb 1.19 1.94 -0.10 0.00 -2.13 0.00 0.00 31.29 32.18 3koy h VAL 34 CO 0.12 0.21 -0.38 0.44 -1.23 0.00 0.00 177.57 176.72 3koy h ASP 35 N 0.00 -1.30 -1.11 4.19 3.32 -1.51 0.14 116.42 120.15 3koy h ASP 35 Ca -0.07 0.22 0.31 0.00 0.02 0.00 0.00 57.03 57.51 3koy h ASP 35 Cb 1.31 0.60 -0.08 0.00 0.22 0.00 0.00 39.33 41.38 3koy h ASP 35 CO 0.03 -0.33 0.75 -0.65 -1.72 0.00 0.00 179.24 177.31 3koy h PRO 36 N -0.25 0.21 0.01 3.56 0.11 -1.78 -1.50 132.00 132.37 3koy h PRO 36 Ca 0.18 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 3koy h PRO 36 Cb 0.56 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3koy h PRO 36 CO -0.62 0.14 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.14 3koy h LEU 37 N 0.22 0.07 -0.96 2.35 3.38 -1.01 -2.35 115.31 117.00 3koy h LEU 37 Ca 0.60 -0.90 0.31 0.00 0.09 0.00 0.00 57.88 57.98 3koy h LEU 37 Cb 1.86 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 42.43 3koy h LEU 37 CO -0.19 0.96 0.40 -0.07 0.09 0.00 0.00 178.44 179.62 3koy h LEU 38 N -0.81 0.20 -0.22 1.67 3.38 -0.75 0.91 115.31 119.69 3koy h LEU 38 Ca -0.02 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3koy h LEU 38 Cb 0.98 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3koy h LEU 38 CO 0.02 -0.23 0.07 -0.78 0.09 0.00 0.00 178.44 177.61 3koy h ASP 39 N 0.18 0.31 -0.86 -0.43 3.58 -1.11 -2.19 116.42 115.91 3koy h ASP 39 Ca 0.69 -0.20 0.15 0.00 0.42 0.00 0.00 57.03 58.09 3koy h ASP 39 Cb 1.57 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 42.48 3koy h ASP 39 CO -0.70 0.43 0.56 -0.07 -2.88 0.00 0.00 179.24 176.58 3koy h LEU 40 N 0.19 0.57 -0.81 2.28 3.38 -0.31 0.28 115.31 120.88 3koy h LEU 40 Ca 0.07 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3koy h LEU 40 Cb 0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3koy h LEU 40 CO -0.00 0.28 0.27 1.23 0.09 0.00 0.00 178.44 180.30 3koy h GLY 41 N 0.60 1.24 1.48 0.83 0.00 -0.69 -2.76 103.07 103.76 3koy h GLY 41 Ca 0.43 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 3koy h GLY 41 CO -0.18 0.66 -0.23 0.50 0.00 0.00 0.00 176.54 177.28 3koy h LYS 42 N 1.12 0.60 -0.02 4.80 1.57 0.01 -3.32 116.57 121.33 3koy h LYS 42 Ca 0.25 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3koy h LYS 42 Cb 0.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3koy h LYS 42 CO -0.01 0.79 -0.00 1.63 -0.57 0.00 0.00 179.45 181.28 3koy n LYS 43 N -4.12 1.64 -4.21 3.15 5.02 -0.77 -4.99 118.16 113.88 3koy n LYS 43 Ca -0.00 -1.63 -0.12 0.00 -2.02 0.00 0.00 58.31 54.54 3koy n LYS 43 Cb 0.41 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 3koy n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3koy s ASN 44 N -1.59 0.80 0.23 4.39 0.01 -1.05 -5.08 114.94 112.65 3koy s ASN 44 Ca 0.22 -1.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.15 3koy s ASN 44 Cb 0.16 0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.98 3koy s ASN 44 CO 0.24 -0.67 0.12 0.28 -1.51 0.00 0.00 177.10 175.56 3koy s THR 45 N -3.85 0.23 0.18 1.60 -1.32 -1.26 -4.84 115.64 106.38 3koy s THR 45 Ca 0.27 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.71 3koy s THR 45 Cb 0.07 -2.55 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 3koy s THR 45 CO 0.05 0.00 0.18 0.42 -2.21 0.00 0.00 174.62 173.06 3koy s THR 46 N -3.96 0.04 0.40 5.08 -4.23 -1.26 -5.00 115.64 106.71 3koy s THR 46 Ca 0.38 -1.78 0.09 0.00 -1.18 0.00 0.00 61.69 59.21 3koy s THR 46 Cb 0.07 -2.20 0.30 0.00 1.34 0.00 0.00 72.50 72.01 3koy s THR 46 CO 0.13 -0.19 1.98 -0.65 -0.54 0.00 0.00 174.62 175.35 3koy h PRO 47 N 2.63 0.57 -0.04 3.99 0.11 -1.98 0.13 132.00 137.40 3koy h PRO 47 Ca -0.34 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.52 3koy h PRO 47 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3koy h PRO 47 CO 0.52 0.38 -0.88 0.66 -0.21 0.00 0.00 178.00 178.46 3koy h SER 48 N 0.59 0.63 0.24 -2.05 4.64 -1.98 -0.76 113.55 114.86 3koy h SER 48 Ca 0.28 -0.47 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 3koy h SER 48 Cb 0.35 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3koy h SER 48 CO -0.09 1.25 -0.41 0.40 -0.87 0.00 0.00 176.83 177.11 3koy h ILE 49 N 0.31 1.31 0.27 0.95 2.04 -1.70 -1.47 117.51 119.22 3koy h ILE 49 Ca -0.07 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.25 3koy h ILE 49 Cb 1.50 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3koy h ILE 49 CO 0.16 0.46 -0.13 -0.33 0.00 0.00 0.00 178.15 178.30 3koy h GLU 50 N 0.20 -0.35 -1.16 2.37 4.39 -0.73 -2.54 114.58 116.76 3koy h GLU 50 Ca 0.02 0.02 0.34 0.00 0.34 0.00 0.00 59.36 60.08 3koy h GLU 50 Cb 0.82 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.44 3koy h GLU 50 CO 0.06 -0.10 0.75 0.00 -1.16 0.00 0.00 179.01 178.56 3koy h ARG 51 N -1.03 0.24 -0.37 2.33 3.08 -1.14 0.30 114.38 117.80 3koy h ARG 51 Ca -0.04 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 3koy h ARG 51 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3koy h ARG 51 CO 0.06 0.16 -0.40 0.66 -1.07 0.00 0.00 179.97 179.38 3koy h SER 52 N 0.25 0.97 -0.08 7.04 4.64 -1.26 -0.73 113.55 124.38 3koy h SER 52 Ca 0.69 -0.45 0.03 0.00 -0.47 0.00 0.00 61.79 61.60 3koy h SER 52 Cb 1.97 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.75 3koy h SER 52 CO -0.35 1.24 -0.16 0.58 -0.87 0.00 0.00 176.83 177.28 3koy h VAL 53 N 0.73 0.60 -0.87 0.95 2.07 0.00 -2.68 116.25 117.05 3koy h VAL 53 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3koy h VAL 53 Cb 0.99 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3koy h VAL 53 CO 0.10 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 178.19 3koy h LEU 54 N -0.22 0.95 -0.12 2.57 3.38 -0.88 -2.04 115.31 118.95 3koy h LEU 54 Ca 0.08 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3koy h LEU 54 Cb 0.33 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3koy h LEU 54 CO -0.21 0.66 -0.17 -0.07 0.09 0.00 0.00 178.44 178.74 3koy h LEU 55 N 1.10 -0.53 0.00 1.67 3.38 -0.83 -0.92 115.31 119.18 3koy h LEU 55 Ca 0.34 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3koy h LEU 55 Cb 0.00 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3koy h LEU 55 CO -0.10 -0.22 0.00 0.54 0.09 0.00 0.00 178.44 178.75 3koy n ARG 56 N -5.31 0.39 -0.02 1.13 1.74 -0.79 -2.56 116.66 111.23 3koy n ARG 56 Ca -0.03 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.18 3koy n ARG 56 Cb 0.23 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.01 3koy n ARG 56 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3koy n MET 57 N -1.10 0.66 0.00 5.56 2.81 -0.38 -4.96 117.12 119.72 3koy n MET 57 Ca 0.10 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 3koy n MET 57 Cb 0.08 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 3koy n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3koy n GLY 58 N 1.33 -0.21 3.93 3.03 0.00 -1.06 -4.94 105.19 107.28 3koy n GLY 58 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 3koy n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3koy s PHE 59 N -0.75 3.39 0.58 1.61 0.08 -1.05 -5.04 117.98 116.79 3koy s PHE 59 Ca 0.00 0.47 0.02 0.00 0.12 0.00 0.00 56.93 57.53 3koy s PHE 59 Cb 0.00 -2.25 0.05 0.00 -0.57 0.00 0.00 43.02 40.26 3koy s PHE 59 CO 0.00 -0.26 0.80 -1.54 -0.10 0.00 0.00 175.22 174.12 3koy s SER 60 N -4.15 5.12 0.16 1.36 1.04 -1.26 -4.41 113.70 111.55 3koy s SER 60 Ca 0.46 -0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.65 3koy s SER 60 Cb -0.10 -0.64 0.01 0.00 0.10 0.00 0.00 66.02 65.40 3koy s SER 60 CO 0.40 -1.26 1.54 0.77 0.98 0.00 0.00 173.24 175.66 3koy h SER 61 N 0.00 1.00 -0.40 7.02 4.64 -1.98 -0.09 113.55 123.73 3koy h SER 61 Ca -0.40 -0.40 -0.08 0.00 -0.47 0.00 0.00 61.79 60.44 3koy h SER 61 Cb 1.29 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 3koy h SER 61 CO 0.49 1.19 -0.03 -0.07 -0.87 0.00 0.00 176.83 177.54 3koy h LEU 62 N 0.82 0.79 -0.09 5.97 3.38 -2.01 -2.76 115.31 121.41 3koy h LEU 62 Ca 0.10 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 3koy h LEU 62 Cb 0.84 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.39 3koy h LEU 62 CO 0.07 0.87 -0.68 -0.33 0.09 0.00 0.00 178.44 178.47 3koy h GLU 63 N 0.75 0.63 -0.45 1.13 5.08 -1.89 -3.08 114.58 116.75 3koy h GLU 63 Ca 0.14 -0.55 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 3koy h GLU 63 Cb 0.50 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3koy h GLU 63 CO 0.03 1.17 0.25 0.00 -1.00 0.00 0.00 179.01 179.45 3koy h ALA 64 N 0.47 0.57 -0.44 3.43 0.00 -0.93 -0.78 119.26 121.58 3koy h ALA 64 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3koy h ALA 64 Cb 1.33 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3koy h ALA 64 CO 0.14 -0.08 -0.01 -0.22 0.00 0.00 0.00 179.25 179.07 3koy h LYS 65 N 0.50 0.09 0.19 0.00 3.64 -1.51 -0.92 116.57 118.56 3koy h LYS 65 Ca 0.19 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3koy h LYS 65 Cb 0.05 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3koy h LYS 65 CO -0.10 0.06 -0.11 0.00 -2.27 0.00 0.00 179.45 177.03 3koy h ALA 66 N 1.39 -0.27 -0.85 5.00 0.00 -1.22 0.87 119.26 124.19 3koy h ALA 66 Ca 0.22 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3koy h ALA 66 Cb 0.32 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 3koy h ALA 66 CO -0.37 -0.66 0.51 0.82 0.00 0.00 0.00 179.25 179.55 3koy h ILE 67 N -0.28 0.98 -0.05 0.00 2.04 -0.74 -1.74 117.51 117.72 3koy h ILE 67 Ca -0.02 -0.31 -0.25 0.00 1.00 0.00 0.00 64.86 65.28 3koy h ILE 67 Cb 0.23 0.01 0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3koy h ILE 67 CO 0.03 0.16 -0.95 0.58 0.00 0.00 0.00 178.15 177.97 3koy h VAL 68 N 0.90 1.28 -0.67 1.67 2.07 -1.02 -2.14 116.25 118.33 3koy h VAL 68 Ca 0.39 -2.16 0.09 0.00 0.82 0.00 0.00 66.70 65.84 3koy h VAL 68 Cb 0.26 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 3koy h VAL 68 CO -0.20 0.67 0.45 0.44 0.02 0.00 0.00 177.57 178.94 3koy h ASP 69 N 0.44 0.52 1.09 0.57 3.32 -0.45 -0.16 116.42 121.74 3koy h ASP 69 Ca -0.10 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 3koy h ASP 69 Cb 1.60 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 41.03 3koy h ASP 69 CO 0.19 0.32 -0.96 0.11 -1.72 0.00 0.00 179.24 177.17 3koy h LYS 70 N 0.58 0.00 -0.52 3.56 1.57 -1.29 -2.82 116.57 117.65 3koy h LYS 70 Ca 0.30 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.97 3koy h LYS 70 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3koy h LYS 70 CO -0.10 0.45 -0.14 1.15 -0.57 0.00 0.00 179.45 180.24 3koy h THR 71 N 0.00 1.27 -0.10 -0.16 2.02 -0.75 -2.36 112.91 112.83 3koy h THR 71 Ca -0.08 -1.29 -0.11 0.00 0.77 0.00 0.00 66.41 65.69 3koy h THR 71 Cb 1.51 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3koy h THR 71 CO 0.06 0.45 -0.45 0.24 0.37 0.00 0.00 175.52 176.20 3koy h MET 72 N 0.88 0.23 0.00 6.66 2.86 -1.12 -1.16 114.93 123.29 3koy h MET 72 Ca 0.13 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3koy h MET 72 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3koy h MET 72 CO 0.05 0.64 -0.20 -0.44 1.06 0.00 0.00 176.91 178.03 3koy h ASP 73 N 0.19 0.00 -0.01 1.22 3.45 -1.25 -2.79 116.42 117.23 3koy h ASP 73 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3koy h ASP 73 Cb 0.87 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.64 3koy h ASP 73 CO 0.07 0.20 -0.13 0.54 -1.57 0.00 0.00 179.24 178.35 3koy n ARG 74 N -4.02 1.86 -1.30 3.56 5.12 -0.91 -4.93 116.66 116.05 3koy n ARG 74 Ca -0.02 -1.47 -0.10 0.00 -1.93 0.00 0.00 57.85 54.33 3koy n ARG 74 Cb 0.28 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.06 3koy n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3koy n GLY 75 N 1.34 1.16 0.06 -0.13 0.00 -0.87 -4.89 105.19 101.85 3koy n GLY 75 Ca 0.14 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3koy n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3koy n LEU 76 N -1.17 0.57 -0.31 0.99 4.32 -0.49 -4.21 117.00 116.69 3koy n LEU 76 Ca -0.10 -0.01 0.17 0.00 -0.02 0.00 0.00 56.01 56.04 3koy n LEU 76 Cb 0.37 -0.24 0.32 0.00 -1.62 0.00 0.00 43.42 42.25 3koy n LEU 76 CO 0.16 0.13 0.78 0.23 -1.22 0.00 0.00 177.39 177.46 3koy n MET 77 N -1.29 -0.07 0.24 3.23 2.81 -1.24 0.14 117.12 120.94 3koy n MET 77 Ca 0.08 1.35 0.08 0.00 -1.81 0.00 0.00 57.70 57.40 3koy n MET 77 Cb 0.33 -2.20 0.41 0.00 -0.71 0.00 0.00 33.22 31.05 3koy n MET 77 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3koy h GLY 78 N 0.00 0.00 0.48 3.03 0.00 -1.94 0.18 103.07 104.82 3koy h GLY 78 Ca 0.60 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.57 3koy h GLY 78 CO -0.83 0.00 -2.09 0.28 0.00 0.00 0.00 176.54 173.89 3koy n LYS 79 N -2.34 0.71 0.00 4.80 4.76 0.36 -5.08 118.16 121.37 3koy n LYS 79 Ca -0.01 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 3koy n LYS 79 Cb 0.49 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 3koy n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3koy n GLY 80 N 1.98 2.21 0.36 0.72 0.00 0.05 -4.75 105.19 105.76 3koy n GLY 80 Ca -0.33 -0.92 0.09 0.00 0.00 0.00 0.00 46.02 44.86 3koy n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy h ALA 81 N 0.00 1.78 -0.22 4.61 0.00 -1.88 0.21 119.26 123.76 3koy h ALA 81 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3koy h ALA 81 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3koy h ALA 81 CO 0.00 0.06 -0.04 0.78 0.00 0.00 0.00 179.25 180.05 3koy h GLY 82 N 0.71 0.44 -0.04 0.00 0.00 -1.94 -3.08 103.07 99.16 3koy h GLY 82 Ca 0.37 -0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.41 3koy h GLY 82 CO -0.14 0.32 -0.29 0.84 0.00 0.00 0.00 176.54 177.28 3koy h HIS 83 N 0.15 -0.78 -0.79 5.60 6.17 -1.03 -1.86 115.15 122.62 3koy h HIS 83 Ca 0.06 0.05 0.17 0.00 0.71 0.00 0.00 60.37 61.35 3koy h HIS 83 Cb 0.48 0.39 -0.11 0.00 2.52 0.00 0.00 27.41 30.69 3koy h HIS 83 CO 0.05 -0.36 0.28 0.82 0.71 0.00 0.00 177.93 179.43 3koy h ILE 84 N -0.25 0.56 -0.67 6.26 2.04 -0.82 0.61 117.51 125.24 3koy h ILE 84 Ca 0.16 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3koy h ILE 84 Cb 0.51 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3koy h ILE 84 CO -0.48 0.07 0.35 0.58 0.00 0.00 0.00 178.15 178.67 3koy h VAL 85 N 0.37 1.21 0.00 1.67 2.07 -1.28 -1.23 116.25 119.07 3koy h VAL 85 Ca 0.45 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3koy h VAL 85 Cb 0.76 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3koy h VAL 85 CO -0.47 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.35 3koy n TYR 86 N -4.51 0.00 -0.23 1.57 9.36 0.11 -1.10 117.16 122.36 3koy n TYR 86 Ca 0.05 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.38 3koy n TYR 86 Cb 0.10 -0.05 0.21 0.00 -0.63 0.00 0.00 39.34 38.97 3koy n TYR 86 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3koy n LYS 87 N -0.70 -0.05 -0.06 2.98 4.76 -0.61 0.16 118.16 124.64 3koy n LYS 87 Ca 0.00 0.99 0.02 0.00 -2.87 0.00 0.00 58.31 56.45 3koy n LYS 87 Cb 0.00 -1.59 0.36 0.00 -1.84 0.00 0.00 35.03 31.96 3koy n LYS 87 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3koy h ILE 88 N 0.00 1.14 0.00 -0.18 1.08 -0.91 -2.07 117.51 116.58 3koy h ILE 88 Ca 0.42 -0.33 -0.13 0.00 -0.39 0.00 0.00 64.86 64.43 3koy h ILE 88 Cb 0.89 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 3koy h ILE 88 CO -0.62 0.15 -0.77 0.00 -0.69 0.00 0.00 178.15 176.23 3koy h ALA 89 N 1.65 0.15 0.00 1.87 0.00 0.31 -3.17 119.26 120.07 3koy h ALA 89 Ca 0.18 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3koy h ALA 89 Cb -0.01 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3koy h ALA 89 CO -0.03 0.45 0.00 1.63 0.00 0.00 0.00 179.25 181.30 3koy n LYS 90 N -4.52 0.08 -0.00 0.00 5.02 -0.47 -1.21 118.16 117.06 3koy n LYS 90 Ca -0.22 0.23 0.05 0.00 -2.02 0.00 0.00 58.31 56.35 3koy n LYS 90 Cb 0.55 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.00 3koy n LYS 90 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3koy n GLU 91 N -1.27 2.95 0.00 1.97 -0.58 -0.78 -4.45 120.64 118.48 3koy n GLU 91 Ca 0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3koy n GLU 91 Cb 0.04 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 3koy n GLU 91 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3koy n LYS 92 N -1.34 0.03 -3.02 3.49 4.76 -0.93 -5.04 118.16 116.11 3koy n LYS 92 Ca 0.02 -0.37 -0.03 0.00 -2.87 0.00 0.00 58.31 55.05 3koy n LYS 92 Cb 0.19 -0.86 0.02 0.00 -1.84 0.00 0.00 35.03 32.53 3koy n LYS 92 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3koy n ASN 93 N -0.11 -7.25 -4.12 4.39 5.15 -0.35 -5.07 115.26 107.91 3koy n ASN 93 Ca 0.00 -0.21 -0.09 0.00 -0.60 0.00 0.00 54.58 53.68 3koy n ASN 93 Cb 0.03 -5.07 -0.10 0.00 -0.53 0.00 0.00 39.78 34.12 3koy n ASN 93 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3koy s ILE 94 N -3.09 0.14 0.38 -1.44 -4.36 -0.90 -5.06 121.20 106.87 3koy s ILE 94 Ca 0.10 -1.85 -0.27 0.00 -0.26 0.00 0.00 60.65 58.38 3koy s ILE 94 Cb -0.01 -1.85 -0.09 0.00 1.25 0.00 0.00 42.46 41.76 3koy s ILE 94 CO 0.71 -0.65 1.26 -0.94 0.24 0.00 0.00 174.94 175.57 3koy s SER 95 N -3.00 6.51 0.29 4.36 1.04 -1.26 -4.54 113.70 117.09 3koy s SER 95 Ca 0.18 2.58 -0.01 0.00 0.48 0.00 0.00 55.95 59.17 3koy s SER 95 Cb 0.07 -2.63 0.66 0.00 0.10 0.00 0.00 66.02 64.21 3koy s SER 95 CO -0.03 -0.71 1.59 0.58 0.98 0.00 0.00 173.24 175.66 3koy h VAL 96 N 2.60 0.10 -0.33 5.02 2.07 -1.95 0.36 116.25 124.13 3koy h VAL 96 Ca -0.49 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 3koy h VAL 96 Cb 1.24 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3koy h VAL 96 CO 0.63 0.01 -0.12 0.03 0.02 0.00 0.00 177.57 178.14 3koy h ARG 97 N 0.04 0.56 -0.11 1.57 3.08 -1.92 -1.90 114.38 115.71 3koy h ARG 97 Ca 0.55 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 3koy h ARG 97 Cb 1.07 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 3koy h ARG 97 CO -0.86 0.67 0.04 0.93 -1.07 0.00 0.00 179.97 179.68 3koy h GLU 98 N 0.52 0.16 0.56 0.04 4.39 -0.66 0.58 114.58 120.16 3koy h GLU 98 Ca 0.09 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3koy h GLU 98 Cb 0.51 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3koy h GLU 98 CO 0.03 0.26 -0.27 0.00 -1.16 0.00 0.00 179.01 177.88 3koy h ALA 99 N 0.89 -1.17 -0.48 3.43 0.00 -1.17 0.69 119.26 121.45 3koy h ALA 99 Ca 0.04 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3koy h ALA 99 Cb 0.16 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 3koy h ALA 99 CO -0.00 -1.12 -0.39 0.78 0.00 0.00 0.00 179.25 178.52 3koy h GLY 100 N -0.77 -0.39 -0.19 0.00 0.00 -1.41 0.20 103.07 100.50 3koy h GLY 100 Ca -0.08 0.50 0.07 0.00 0.00 0.00 0.00 47.33 47.83 3koy h GLY 100 CO 0.13 -0.19 -0.37 -2.00 0.00 0.00 0.00 176.54 174.11 3koy h LEU 101 N -0.26 -1.22 -0.59 3.11 5.85 -0.87 -0.67 115.31 120.67 3koy h LEU 101 Ca 0.17 0.20 0.11 0.00 0.84 0.00 0.00 57.88 59.20 3koy h LEU 101 Cb 0.57 0.55 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 3koy h LEU 101 CO -0.61 -0.35 0.12 0.00 -0.34 0.00 0.00 178.44 177.26 3koy h ALA 102 N 0.58 0.69 -0.47 1.25 0.00 0.92 -0.96 119.26 121.27 3koy h ALA 102 Ca 0.15 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3koy h ALA 102 Cb 0.56 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3koy h ALA 102 CO -0.54 -0.31 0.31 -0.07 0.00 0.00 0.00 179.25 178.65 3koy h LEU 103 N 0.25 0.42 -1.37 0.00 3.38 0.76 -1.48 115.31 117.27 3koy h LEU 103 Ca 0.31 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 3koy h LEU 103 Cb 0.45 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3koy h LEU 103 CO -0.39 0.28 -0.23 0.77 0.09 0.00 0.00 178.44 178.96 3koy h SER 104 N 0.48 0.00 0.39 -0.43 4.64 -0.12 -2.00 113.55 116.51 3koy h SER 104 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3koy h SER 104 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3koy h SER 104 CO -0.05 0.23 -0.58 -0.62 -0.87 0.00 0.00 176.83 174.94 3koy n GLU 105 N -3.56 0.04 0.00 4.77 1.02 -0.60 -4.73 120.64 117.59 3koy n GLU 105 Ca -0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3koy n GLU 105 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3koy n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3koy n GLY 106 N 1.49 1.24 3.91 0.62 0.00 -0.75 -5.12 105.19 106.59 3koy n GLY 106 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3koy n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3koy s LYS 107 N -0.51 3.06 0.00 1.61 1.02 -1.04 -4.46 119.74 119.42 3koy s LYS 107 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.07 3koy s LYS 107 Cb 0.00 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 3koy s LYS 107 CO 0.00 -0.62 0.00 0.66 -0.92 0.00 0.00 175.35 174.47 3koy n TYR 108 N -2.55 0.00 0.09 3.18 4.01 -1.26 -4.18 117.16 116.46 3koy n TYR 108 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 3koy n TYR 108 Cb 0.57 -1.52 0.02 0.00 -0.31 0.00 0.00 39.34 38.10 3koy n TYR 108 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3koy h TRP 109 N 0.00 0.15 -0.50 -0.72 4.06 -1.95 -1.78 115.95 115.21 3koy h TRP 109 Ca 0.00 -0.08 0.10 0.00 2.06 0.00 0.00 58.89 60.96 3koy h TRP 109 Cb 0.72 -0.02 -0.08 0.00 -1.00 0.00 0.00 29.16 28.78 3koy h TRP 109 CO 0.45 0.88 0.01 -0.44 -3.56 0.00 0.00 178.44 175.79 3koy h ASP 110 N 0.06 -0.19 -0.58 -3.49 5.19 -1.91 -2.09 116.42 113.40 3koy h ASP 110 Ca -0.03 0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 3koy h ASP 110 Cb 1.45 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 41.14 3koy h ASP 110 CO 0.12 -0.06 0.06 0.44 -3.12 0.00 0.00 179.24 176.68 3koy h ASP 111 N 0.13 0.95 0.17 6.45 3.32 -1.90 -3.09 116.42 122.45 3koy h ASP 111 Ca 0.25 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3koy h ASP 111 Cb 0.38 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3koy h ASP 111 CO -0.41 0.99 -0.11 0.00 -1.72 0.00 0.00 179.24 177.99 3koy h ALA 112 N 0.99 1.61 0.00 3.45 0.00 -0.67 -1.77 119.26 122.87 3koy h ALA 112 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3koy h ALA 112 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3koy h ALA 112 CO 0.02 0.14 0.00 -0.89 0.00 0.00 0.00 179.25 178.52 3koy n ILE 113 N -4.10 0.42 -0.59 0.00 5.41 -0.93 -5.09 119.36 114.48 3koy n ILE 113 Ca -0.02 0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.83 3koy n ILE 113 Cb 0.19 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 3koy n ILE 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55