#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 -0.27 -2.24 -0.08 -1.26 -4.62 116.55 108.08 3koy n ASP 6 Ca 0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 3koy n ASP 6 Cb 0.00 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.67 3koy n ASP 6 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3koy h PHE 7 N 0.00 0.21 -0.59 -0.67 3.57 -2.05 -1.05 116.94 116.36 3koy h PHE 7 Ca 0.00 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3koy h PHE 7 Cb 0.00 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3koy h PHE 7 CO 0.00 -0.16 0.02 1.96 -2.23 0.00 0.00 178.31 177.90 3koy h GLN 8 N 0.21 1.03 -0.76 1.11 1.08 -1.99 0.22 115.11 116.00 3koy h GLN 8 Ca 0.45 -0.32 0.05 0.00 -1.45 0.00 0.00 58.65 57.39 3koy h GLN 8 Cb 0.83 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 28.10 3koy h GLN 8 CO -0.59 1.00 0.46 1.96 -0.95 0.00 0.00 178.83 180.71 3koy h GLN 9 N 0.92 0.83 0.00 1.46 4.20 -1.54 -3.18 115.11 117.80 3koy h GLN 9 Ca 0.17 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 3koy h GLN 9 Cb 0.53 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3koy h GLN 9 CO 0.03 0.55 -0.72 0.00 -0.67 0.00 0.00 178.83 178.01 3koy h ARG 10 N 0.85 0.00 0.00 1.46 3.08 -0.13 -3.26 114.38 116.39 3koy h ARG 10 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3koy h ARG 10 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3koy h ARG 10 CO -0.16 0.24 -0.52 2.89 -1.07 0.00 0.00 179.97 181.35 3koy n ARG 11 N -3.00 0.06 -0.39 0.04 1.85 0.65 -4.58 116.66 111.28 3koy n ARG 11 Ca -0.01 0.01 -0.06 0.00 -1.00 0.00 0.00 57.85 56.80 3koy n ARG 11 Cb 0.68 -1.54 -0.02 0.00 -1.05 0.00 0.00 32.46 30.53 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 2.90 -0.16 0.00 2.89 0.00 -1.59 -0.74 119.26 122.55 3koy h ALA 12 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3koy h ALA 12 Cb 0.55 1.17 0.00 0.00 0.00 0.00 0.00 17.79 19.51 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 -5.38 0.00 -0.08 0.00 1.44 -1.26 -1.98 115.22 107.96 3koy n HIS 13 Ca 0.06 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.69 3koy n HIS 13 Cb 0.34 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.32 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 -0.96 0.00 -0.50 2.39 4.77 -0.29 -4.69 117.00 117.73 3koy n LEU 14 Ca 0.03 -0.00 0.42 0.00 -0.03 0.00 0.00 56.01 56.43 3koy n LEU 14 Cb 0.01 0.41 0.75 0.00 -2.33 0.00 0.00 43.42 42.26 3koy n LEU 14 CO 0.02 0.41 1.37 0.00 -1.33 0.00 0.00 177.39 177.86 3koy h ALA 15 N 0.82 3.32 -0.02 -1.18 0.00 -1.49 0.87 119.26 121.58 3koy h ALA 15 Ca -0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3koy h ALA 15 Cb 2.02 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3koy h ALA 15 CO 0.02 -1.80 -0.05 -0.91 0.00 0.00 0.00 179.25 176.51 3koy h ASN 16 N 0.04 0.07 -1.45 0.00 2.35 -1.83 -3.46 115.58 111.30 3koy h ASN 16 Ca 0.76 -0.62 -0.65 0.00 -0.55 0.00 0.00 56.30 55.24 3koy h ASN 16 Cb 2.90 -0.02 0.11 0.00 0.05 0.00 0.00 38.32 41.35 3koy h ASN 16 CO -0.09 0.68 -0.30 0.18 -1.65 0.00 0.00 177.43 176.25 3koy n LEU 17 N -4.73 -0.26 0.00 1.61 4.77 0.30 -4.96 117.00 113.73 3koy n LEU 17 Ca -0.09 1.15 -0.16 0.00 -0.03 0.00 0.00 56.01 56.88 3koy n LEU 17 Cb 0.34 -1.05 0.11 0.00 -2.33 0.00 0.00 43.42 40.48 3koy n LEU 17 CO 0.35 -2.45 0.48 -1.54 -1.33 0.00 0.00 177.39 172.90 3koy n SER 18 N 1.76 0.11 -0.02 -1.43 3.41 -1.26 -4.76 113.62 111.43 3koy n SER 18 Ca 0.16 -1.29 -0.04 0.00 -0.26 0.00 0.00 58.87 57.43 3koy n SER 18 Cb 0.26 -0.55 0.19 0.00 -0.26 0.00 0.00 64.21 63.85 3koy n SER 18 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3koy h ASP 19 N -0.93 0.57 0.76 4.04 3.32 -1.99 0.12 116.42 122.32 3koy h ASP 19 Ca -0.24 -0.18 -0.25 0.00 0.02 0.00 0.00 57.03 56.39 3koy h ASP 19 Cb 0.66 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3koy h ASP 19 CO 0.17 0.77 -1.13 -0.33 -1.72 0.00 0.00 179.24 177.00 3koy h GLU 20 N 0.51 0.17 -0.17 3.56 3.07 -1.98 -1.58 114.58 118.16 3koy h GLU 20 Ca 0.08 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3koy h GLU 20 Cb 0.62 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 3koy h GLU 20 CO 0.04 1.13 0.09 0.93 -1.40 0.00 0.00 179.01 179.80 3koy h GLU 21 N 0.05 0.24 0.09 2.33 5.08 -1.88 -2.24 114.58 118.25 3koy h GLU 21 Ca -0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3koy h GLU 21 Cb 1.87 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.07 3koy h GLU 21 CO 0.17 0.25 -0.04 1.25 -1.00 0.00 0.00 179.01 179.64 3koy h LEU 22 N 0.17 -0.10 -1.29 1.33 5.85 -0.72 -2.17 115.31 118.38 3koy h LEU 22 Ca 0.06 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3koy h LEU 22 Cb 0.08 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3koy h LEU 22 CO -0.01 -0.01 0.00 -0.61 -0.34 0.00 0.00 178.44 177.48 3koy h GLN 23 N -0.19 0.00 0.15 1.25 4.15 -1.33 -2.61 115.11 116.54 3koy h GLN 23 Ca -0.01 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.09 3koy h GLN 23 Cb 0.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3koy h GLN 23 CO 0.02 0.00 -1.57 1.15 -1.93 0.00 0.00 178.83 176.50 3koy h THR 24 N 0.00 1.13 0.00 2.39 2.02 -0.76 -3.03 112.91 114.66 3koy h THR 24 Ca 0.00 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.46 3koy h THR 24 Cb 0.34 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 3koy h THR 24 CO 0.00 0.83 0.00 0.08 0.37 0.00 0.00 175.52 176.80 3koy h ARG 25 N 0.09 0.00 0.62 6.66 0.11 -1.31 0.55 114.38 121.10 3koy h ARG 25 Ca -0.27 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.78 3koy h ARG 25 Cb 2.05 0.00 0.01 0.00 1.11 0.00 0.00 29.97 33.14 3koy h ARG 25 CO 0.18 0.00 -0.30 0.35 0.10 0.00 0.00 179.97 180.30 3koy h PHE 26 N 0.00 -0.77 0.00 4.08 3.57 -1.52 -1.75 116.94 120.55 3koy h PHE 26 Ca 0.00 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 3koy h PHE 26 Cb 0.74 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3koy h PHE 26 CO 0.00 -0.45 -0.27 -1.49 -2.23 0.00 0.00 178.31 173.86 3koy h TRP 27 N -0.90 0.00 0.34 0.41 4.06 -1.39 -1.31 115.95 117.17 3koy h TRP 27 Ca -0.08 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 3koy h TRP 27 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 3koy h TRP 27 CO -0.02 0.27 -0.17 0.93 -3.56 0.00 0.00 178.44 175.90 3koy h GLU 28 N 0.00 -0.44 -0.65 0.49 5.08 -0.86 -1.11 114.58 117.09 3koy h GLU 28 Ca -0.00 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3koy h GLU 28 Cb 0.88 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 3koy h GLU 28 CO 0.04 -0.17 0.38 0.52 -1.00 0.00 0.00 179.01 178.78 3koy h MET 29 N -0.69 0.71 -0.79 2.33 2.86 -1.27 0.51 114.93 118.59 3koy h MET 29 Ca -0.05 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3koy h MET 29 Cb 0.48 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.91 3koy h MET 29 CO 0.08 0.47 0.44 0.00 1.06 0.00 0.00 176.91 178.95 3koy h ALA 30 N 1.30 1.12 -0.36 6.32 0.00 -1.19 -0.27 119.26 126.18 3koy h ALA 30 Ca 0.27 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3koy h ALA 30 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3koy h ALA 30 CO -0.14 0.06 -0.06 1.49 0.00 0.00 0.00 179.25 180.60 3koy h GLU 31 N 0.74 0.68 -0.02 0.00 4.81 -0.18 -2.72 114.58 117.88 3koy h GLU 31 Ca 0.38 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3koy h GLU 31 Cb 0.36 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3koy h GLU 31 CO -0.25 0.82 0.03 0.87 -0.73 0.00 0.00 179.01 179.75 3koy h LYS 32 N 0.48 0.00 0.09 1.92 1.57 -0.14 -2.40 116.57 118.09 3koy h LYS 32 Ca 0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.59 3koy h LYS 32 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3koy h LYS 32 CO 0.03 0.00 -1.44 0.82 -0.57 0.00 0.00 179.45 178.29 3koy h ILE 33 N 0.00 1.25 0.00 1.86 2.04 -0.78 -3.36 117.51 118.52 3koy h ILE 33 Ca 0.01 -2.90 -0.06 0.00 1.00 0.00 0.00 64.86 62.91 3koy h ILE 33 Cb 0.06 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 3koy h ILE 33 CO -0.00 0.82 -0.88 -0.37 0.00 0.00 0.00 178.15 177.72 3koy h VAL 34 N 0.05 0.26 -0.26 1.67 -1.51 -1.29 -3.38 116.25 111.80 3koy h VAL 34 Ca -0.20 -1.45 0.04 0.00 -1.23 0.00 0.00 66.70 63.85 3koy h VAL 34 Cb 1.98 1.86 -0.07 0.00 -2.13 0.00 0.00 31.29 32.93 3koy h VAL 34 CO 0.16 0.15 -0.51 0.44 -1.23 0.00 0.00 177.57 176.57 3koy h ASP 35 N 0.00 -1.67 -0.89 4.19 3.32 -1.58 0.14 116.42 119.93 3koy h ASP 35 Ca -0.05 0.21 0.25 0.00 0.02 0.00 0.00 57.03 57.46 3koy h ASP 35 Cb 1.22 0.67 -0.04 0.00 0.22 0.00 0.00 39.33 41.40 3koy h ASP 35 CO 0.02 -0.41 0.63 -0.65 -1.72 0.00 0.00 179.24 177.11 3koy h PRO 36 N -0.45 0.07 0.04 3.56 0.11 -1.80 -1.42 132.00 132.11 3koy h PRO 36 Ca 0.05 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 3koy h PRO 36 Cb 0.59 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.70 3koy h PRO 36 CO -0.48 0.04 -0.48 -0.07 -0.21 0.00 0.00 178.00 176.80 3koy h LEU 37 N 0.07 0.35 -0.76 2.35 3.38 -1.02 -2.78 115.31 116.89 3koy h LEU 37 Ca 0.43 -0.85 0.09 0.00 0.09 0.00 0.00 57.88 57.64 3koy h LEU 37 Cb 1.60 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.17 3koy h LEU 37 CO -0.04 1.16 0.42 -0.07 0.09 0.00 0.00 178.44 180.00 3koy h LEU 38 N -0.43 0.58 -0.49 1.67 3.38 -0.07 -1.92 115.31 118.04 3koy h LEU 38 Ca -0.07 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3koy h LEU 38 Cb 1.27 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 3koy h LEU 38 CO 0.09 0.33 -0.00 -0.78 0.09 0.00 0.00 178.44 178.17 3koy h ASP 39 N 0.70 -0.22 -0.14 -0.43 1.82 -1.35 0.98 116.42 117.79 3koy h ASP 39 Ca 0.37 0.12 0.05 0.00 -0.39 0.00 0.00 57.03 57.17 3koy h ASP 39 Cb 0.35 0.21 -0.05 0.00 0.68 0.00 0.00 39.33 40.52 3koy h ASP 39 CO -0.25 -0.07 -0.19 -0.07 -1.61 0.00 0.00 179.24 177.05 3koy h LEU 40 N 0.11 -0.59 -1.45 2.28 3.38 -1.11 0.66 115.31 118.58 3koy h LEU 40 Ca 0.25 0.10 0.32 0.00 0.09 0.00 0.00 57.88 58.64 3koy h LEU 40 Cb 0.37 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 3koy h LEU 40 CO -0.41 -0.24 0.74 1.23 0.09 0.00 0.00 178.44 179.85 3koy h GLY 41 N -0.24 1.09 0.75 0.83 0.00 -0.14 -2.22 103.07 103.14 3koy h GLY 41 Ca 0.10 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 3koy h GLY 41 CO -0.28 -0.19 -0.61 0.50 0.00 0.00 0.00 176.54 175.96 3koy h LYS 42 N 0.27 0.38 -0.00 4.80 1.57 0.72 -3.37 116.57 120.93 3koy h LYS 42 Ca 0.65 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3koy h LYS 42 Cb 1.87 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.31 3koy h LYS 42 CO -0.29 1.12 -0.36 1.63 -0.57 0.00 0.00 179.45 180.98 3koy n LYS 43 N -4.22 0.12 -4.30 3.15 5.02 -0.39 -4.95 118.16 112.59 3koy n LYS 43 Ca -0.11 -0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 55.96 3koy n LYS 43 Cb 0.69 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.10 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 -2.92 2.02 0.41 4.39 0.01 -0.93 -5.09 114.94 112.82 3koy s ASN 44 Ca 0.14 -1.08 0.04 0.00 -0.71 0.00 0.00 52.86 51.25 3koy s ASN 44 Cb 0.18 -0.04 -0.01 0.00 0.41 0.00 0.00 41.25 41.79 3koy s ASN 44 CO 0.64 -0.34 0.13 1.07 -1.51 0.00 0.00 177.10 177.09 3koy n THR 45 N -0.31 0.00 -3.97 1.60 5.66 -1.26 -4.85 114.28 111.16 3koy n THR 45 Ca -0.08 -2.36 -0.09 0.00 -3.05 0.00 0.00 64.05 58.48 3koy n THR 45 Cb 0.62 0.81 -0.04 0.00 -1.55 0.00 0.00 70.33 70.17 3koy n THR 45 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3koy s THR 46 N -3.05 0.00 0.38 1.09 -4.23 -1.26 -5.03 115.64 103.54 3koy s THR 46 Ca 0.19 -1.31 0.08 0.00 -1.18 0.00 0.00 61.69 59.46 3koy s THR 46 Cb 0.01 -2.17 0.17 0.00 1.34 0.00 0.00 72.50 71.86 3koy s THR 46 CO 0.13 0.00 1.92 -0.65 -0.54 0.00 0.00 174.62 175.49 3koy h PRO 47 N 2.19 0.36 0.02 3.99 0.11 -1.99 -1.11 132.00 135.57 3koy h PRO 47 Ca -0.24 -0.07 -0.25 0.00 0.11 0.00 0.00 66.00 65.54 3koy h PRO 47 Cb 1.25 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.32 3koy h PRO 47 CO 0.32 0.42 -1.02 0.66 -0.21 0.00 0.00 178.00 178.17 3koy h SER 48 N 0.35 0.71 -0.26 -2.05 4.64 -1.99 0.04 113.55 114.99 3koy h SER 48 Ca 0.08 -0.58 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3koy h SER 48 Cb 0.30 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3koy h SER 48 CO 0.01 1.39 0.15 0.40 -0.87 0.00 0.00 176.83 177.90 3koy h ILE 49 N 0.29 1.02 -0.45 0.95 2.04 -1.88 -1.92 117.51 117.56 3koy h ILE 49 Ca -0.11 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 3koy h ILE 49 Cb 1.67 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 3koy h ILE 49 CO 0.19 0.06 0.11 -0.33 0.00 0.00 0.00 178.15 178.17 3koy h GLU 50 N 0.30 0.73 -0.07 2.37 4.39 -1.08 -1.84 114.58 119.39 3koy h GLU 50 Ca 0.10 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 3koy h GLU 50 Cb 0.00 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3koy h GLU 50 CO -0.05 0.73 -0.41 0.00 -1.16 0.00 0.00 179.01 178.12 3koy h ARG 51 N 0.60 0.15 -0.54 2.33 3.08 -0.91 -1.79 114.38 117.30 3koy h ARG 51 Ca 0.14 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 3koy h ARG 51 Cb 0.33 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3koy h ARG 51 CO 0.00 0.54 -0.04 0.66 -1.07 0.00 0.00 179.97 180.05 3koy h SER 52 N 0.12 0.98 -0.06 7.04 4.64 -1.13 0.35 113.55 125.50 3koy h SER 52 Ca 0.01 -0.33 0.03 0.00 -0.47 0.00 0.00 61.79 61.03 3koy h SER 52 Cb 0.78 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 3koy h SER 52 CO 0.06 1.07 -0.11 0.58 -0.87 0.00 0.00 176.83 177.56 3koy h VAL 53 N 0.87 0.70 -0.73 0.95 2.07 -0.87 -0.25 116.25 118.99 3koy h VAL 53 Ca 0.15 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3koy h VAL 53 Cb 0.60 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3koy h VAL 53 CO 0.04 0.00 0.45 -0.07 0.02 0.00 0.00 177.57 178.01 3koy h LEU 54 N -0.16 0.74 0.01 2.57 3.38 -0.97 0.93 115.31 121.80 3koy h LEU 54 Ca 0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3koy h LEU 54 Cb 0.25 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3koy h LEU 54 CO -0.16 0.50 -0.29 -0.07 0.09 0.00 0.00 178.44 178.52 3koy h LEU 55 N 0.88 -0.85 -1.87 1.67 3.38 -0.00 -0.65 115.31 117.86 3koy h LEU 55 Ca 0.30 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 3koy h LEU 55 Cb 0.05 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3koy h LEU 55 CO -0.12 -0.36 0.05 0.03 0.09 0.00 0.00 178.44 178.13 3koy h ARG 56 N -0.44 0.14 0.00 1.13 3.08 -0.30 -1.55 114.38 116.44 3koy h ARG 56 Ca 0.06 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3koy h ARG 56 Cb 0.52 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3koy h ARG 56 CO -0.24 0.10 -0.30 0.52 -1.07 0.00 0.00 179.97 178.98 3koy h MET 57 N 0.14 0.00 0.00 0.04 2.86 0.56 -3.46 114.93 115.07 3koy h MET 57 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3koy h MET 57 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3koy h MET 57 CO -0.01 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.68 3koy n GLY 58 N 0.22 1.59 3.51 8.32 0.00 -0.40 -4.94 105.19 113.49 3koy n GLY 58 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.59 2.55 0.74 1.61 0.08 -0.83 -5.01 117.98 115.53 3koy s PHE 59 Ca 0.00 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 3koy s PHE 59 Cb 0.00 -1.31 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 3koy s PHE 59 CO 0.00 0.44 1.08 -1.54 -0.10 0.00 0.00 175.22 175.10 3koy s SER 60 N -2.40 4.85 0.43 1.36 1.04 -1.26 -4.20 113.70 113.52 3koy s SER 60 Ca 0.20 1.74 0.09 0.00 0.48 0.00 0.00 55.95 58.47 3koy s SER 60 Cb -0.10 -2.51 0.94 0.00 0.10 0.00 0.00 66.02 64.45 3koy s SER 60 CO 0.12 -1.80 2.06 0.77 0.98 0.00 0.00 173.24 175.37 3koy h SER 61 N -0.97 0.34 -0.28 7.02 4.64 -1.98 0.26 113.55 122.58 3koy h SER 61 Ca -0.44 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 3koy h SER 61 Cb 1.22 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3koy h SER 61 CO 0.53 0.27 0.10 -0.07 -0.87 0.00 0.00 176.83 176.80 3koy h LEU 62 N 0.39 0.40 -0.88 5.97 3.38 -2.00 -1.26 115.31 121.32 3koy h LEU 62 Ca 0.10 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3koy h LEU 62 Cb 0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3koy h LEU 62 CO -0.02 0.48 0.36 -0.33 0.09 0.00 0.00 178.44 179.02 3koy h GLU 63 N 0.30 1.17 -0.55 1.13 5.08 -1.75 -2.05 114.58 117.91 3koy h GLU 63 Ca 0.09 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3koy h GLU 63 Cb 0.21 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3koy h GLU 63 CO -0.01 0.92 0.12 0.00 -1.00 0.00 0.00 179.01 179.04 3koy h ALA 64 N 1.24 0.73 -0.38 3.43 0.00 -0.23 -1.59 119.26 122.47 3koy h ALA 64 Ca 0.27 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3koy h ALA 64 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3koy h ALA 64 CO -0.03 0.45 -0.27 -0.22 0.00 0.00 0.00 179.25 179.18 3koy h LYS 65 N 0.80 0.79 0.09 0.00 3.64 -1.08 -0.27 116.57 120.54 3koy h LYS 65 Ca 0.17 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3koy h LYS 65 Cb 0.37 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3koy h LYS 65 CO 0.01 0.97 -0.15 0.00 -2.27 0.00 0.00 179.45 178.00 3koy h ALA 66 N 1.02 -0.77 -0.37 5.00 0.00 -1.08 -0.50 119.26 122.55 3koy h ALA 66 Ca 0.08 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3koy h ALA 66 Cb 0.80 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 3koy h ALA 66 CO 0.07 -0.80 -0.31 0.82 0.00 0.00 0.00 179.25 179.02 3koy h ILE 67 N -0.26 0.25 0.00 0.00 2.04 -1.24 -2.37 117.51 115.93 3koy h ILE 67 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3koy h ILE 67 Cb 0.24 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3koy h ILE 67 CO -0.05 0.00 -0.13 0.58 0.00 0.00 0.00 178.15 178.55 3koy h VAL 68 N -0.25 0.49 0.02 1.67 2.07 -0.96 0.41 116.25 119.70 3koy h VAL 68 Ca 0.17 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 3koy h VAL 68 Cb 0.53 1.44 0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3koy h VAL 68 CO -0.52 0.13 -0.41 0.44 0.02 0.00 0.00 177.57 177.23 3koy h ASP 69 N 0.00 0.33 -0.49 0.57 3.32 -0.72 -2.02 116.42 117.41 3koy h ASP 69 Ca -0.00 -0.82 0.03 0.00 0.02 0.00 0.00 57.03 56.26 3koy h ASP 69 Cb 0.43 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3koy h ASP 69 CO 0.02 1.10 0.33 0.11 -1.72 0.00 0.00 179.24 179.08 3koy h LYS 70 N -0.41 0.55 -0.21 3.56 1.57 -0.95 -1.22 116.57 119.46 3koy h LYS 70 Ca -0.06 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3koy h LYS 70 Cb 1.19 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3koy h LYS 70 CO 0.08 0.36 0.13 1.15 -0.57 0.00 0.00 179.45 180.60 3koy h THR 71 N 0.57 1.08 -0.24 -0.16 2.02 -0.19 -2.71 112.91 113.29 3koy h THR 71 Ca 0.20 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3koy h THR 71 Cb 0.09 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3koy h THR 71 CO -0.05 0.08 -0.29 0.24 0.37 0.00 0.00 175.52 175.87 3koy h MET 72 N 0.25 0.47 0.00 6.66 2.86 -0.74 -2.05 114.93 122.38 3koy h MET 72 Ca 0.07 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 3koy h MET 72 Cb 0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3koy h MET 72 CO -0.01 0.71 -0.32 -0.44 1.06 0.00 0.00 176.91 177.91 3koy h ASP 73 N 0.41 0.00 -0.60 1.22 3.32 -1.18 -2.54 116.42 117.05 3koy h ASP 73 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3koy h ASP 73 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3koy h ASP 73 CO 0.05 0.32 0.00 0.54 -1.72 0.00 0.00 179.24 178.44 3koy n ARG 74 N -4.10 3.00 -3.85 3.56 1.74 -1.03 -4.95 116.66 111.04 3koy n ARG 74 Ca -0.02 -2.41 -0.25 0.00 -0.77 0.00 0.00 57.85 54.40 3koy n ARG 74 Cb 0.37 -1.68 0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3koy n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3koy n GLY 75 N 1.24 -0.32 0.23 -0.13 0.00 -0.96 -4.89 105.19 100.36 3koy n GLY 75 Ca 0.22 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.40 1.90 -0.35 0.99 4.32 -0.79 -4.77 117.00 113.91 3koy n LEU 76 Ca -0.21 -1.51 0.11 0.00 -0.02 0.00 0.00 56.01 54.38 3koy n LEU 76 Cb 0.64 -0.05 0.29 0.00 -1.62 0.00 0.00 43.42 42.68 3koy n LEU 76 CO 0.73 0.45 1.19 0.24 -1.22 0.00 0.00 177.39 178.78 3koy h MET 77 N 0.90 0.78 0.00 3.23 2.86 -1.91 -1.26 114.93 119.53 3koy h MET 77 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3koy h MET 77 Cb 0.40 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3koy h MET 77 CO 0.00 0.52 0.00 0.78 1.06 0.00 0.00 176.91 179.27 3koy h GLY 78 N 0.80 0.00 1.11 8.32 0.00 -1.96 -0.07 103.07 111.27 3koy h GLY 78 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3koy h GLY 78 CO -0.35 0.00 -0.84 0.50 0.00 0.00 0.00 176.54 175.85 3koy h LYS 79 N 0.00 0.00 -0.98 4.80 1.79 -1.60 -3.50 116.57 117.07 3koy h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3koy h LYS 79 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3koy h LYS 79 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 3koy n GLY 80 N 1.21 -1.59 0.31 3.86 0.00 -0.04 -4.39 105.19 104.56 3koy n GLY 80 Ca 0.01 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 1.39 0.22 4.61 0.00 -1.85 0.30 119.26 123.93 3koy h ALA 81 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3koy h ALA 81 Cb 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3koy h ALA 81 CO 0.00 -0.25 -0.41 0.78 0.00 0.00 0.00 179.25 179.36 3koy h GLY 82 N 0.48 -0.89 -0.75 0.00 0.00 -1.89 -2.50 103.07 97.52 3koy h GLY 82 Ca 0.53 0.49 0.20 0.00 0.00 0.00 0.00 47.33 48.55 3koy h GLY 82 CO -0.47 -0.29 -0.11 0.84 0.00 0.00 0.00 176.54 176.52 3koy h HIS 83 N -0.71 -0.27 0.31 5.60 6.17 -0.62 -0.43 115.15 125.20 3koy h HIS 83 Ca 0.00 0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.15 3koy h HIS 83 Cb 0.70 0.26 -0.04 0.00 2.52 0.00 0.00 27.41 30.85 3koy h HIS 83 CO -0.31 -0.37 -0.52 0.82 0.71 0.00 0.00 177.93 178.26 3koy h ILE 84 N 0.02 0.00 -0.97 6.26 2.04 -1.19 0.26 117.51 123.93 3koy h ILE 84 Ca 0.47 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.58 3koy h ILE 84 Cb 0.83 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 3koy h ILE 84 CO -0.87 0.00 0.65 0.58 0.00 0.00 0.00 178.15 178.51 3koy h VAL 85 N -0.89 0.58 0.03 1.67 2.07 -0.66 0.08 116.25 119.14 3koy h VAL 85 Ca -0.03 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3koy h VAL 85 Cb 0.82 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3koy h VAL 85 CO -0.18 0.06 -0.02 0.22 0.02 0.00 0.00 177.57 177.67 3koy h TYR 86 N 0.31 -0.04 -0.31 1.57 3.20 -1.01 -1.95 116.97 118.74 3koy h TYR 86 Ca 0.52 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.45 3koy h TYR 86 Cb 1.45 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.67 3koy h TYR 86 CO -0.00 0.44 -0.15 0.87 -1.64 0.00 0.00 178.16 177.67 3koy h LYS 87 N -0.98 -0.10 -0.82 1.82 1.79 -0.51 -0.97 116.57 116.81 3koy h LYS 87 Ca -0.00 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.61 3koy h LYS 87 Cb 0.50 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.09 3koy h LYS 87 CO 0.01 -0.07 0.41 0.82 -1.08 0.00 0.00 179.45 179.53 3koy h ILE 88 N -0.11 0.74 -0.63 1.86 1.08 -1.10 0.18 117.51 119.52 3koy h ILE 88 Ca 0.16 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.38 3koy h ILE 88 Cb 0.35 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.16 3koy h ILE 88 CO -0.38 0.11 0.23 0.00 -0.69 0.00 0.00 178.15 177.42 3koy h ALA 89 N 1.53 1.21 0.00 1.87 0.00 -0.40 -1.85 119.26 121.63 3koy h ALA 89 Ca 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3koy h ALA 89 Cb 0.60 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3koy h ALA 89 CO -0.35 0.57 -0.69 1.63 0.00 0.00 0.00 179.25 180.40 3koy n LYS 90 N -4.30 0.17 0.04 0.00 5.02 -0.51 -1.49 118.16 117.10 3koy n LYS 90 Ca 0.05 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 3koy n LYS 90 Cb 0.19 -1.59 0.09 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.83 0.28 -0.00 1.97 -0.58 0.52 -3.96 120.64 117.04 3koy n GLU 91 Ca 0.04 0.03 0.03 0.00 -0.42 0.00 0.00 57.16 56.84 3koy n GLU 91 Cb 0.40 -1.63 0.03 0.00 -0.57 0.00 0.00 31.44 29.67 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 -2.01 0.00 -3.64 3.49 4.76 -0.72 -5.01 118.16 115.04 3koy n LYS 92 Ca 0.03 -0.92 -0.23 0.00 -2.87 0.00 0.00 58.31 54.32 3koy n LYS 92 Cb 0.43 -1.12 0.06 0.00 -1.84 0.00 0.00 35.03 32.57 3koy n LYS 92 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3koy n ASN 93 N 0.34 -4.29 -3.35 4.39 5.03 -0.94 -5.02 115.26 111.42 3koy n ASN 93 Ca 0.04 -0.65 -0.19 0.00 0.87 0.00 0.00 54.58 54.65 3koy n ASN 93 Cb 0.17 -4.67 -0.05 0.00 -1.02 0.00 0.00 39.78 34.21 3koy n ASN 93 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 3koy n ILE 94 N -4.63 0.00 -3.46 2.41 -5.35 -0.55 -5.05 119.36 102.72 3koy n ILE 94 Ca -0.10 -1.59 -0.35 0.00 -0.27 0.00 0.00 62.75 60.45 3koy n ILE 94 Cb 0.60 0.47 -0.06 0.00 -1.74 0.00 0.00 39.64 38.91 3koy n ILE 94 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3koy s SER 95 N -2.74 6.74 0.29 7.28 1.04 -1.26 -4.52 113.70 120.53 3koy s SER 95 Ca 0.08 0.95 0.02 0.00 0.48 0.00 0.00 55.95 57.48 3koy s SER 95 Cb 0.00 -2.24 0.73 0.00 0.10 0.00 0.00 66.02 64.62 3koy s SER 95 CO 0.06 0.14 1.48 0.52 0.98 0.00 0.00 173.24 176.42 3koy n VAL 96 N 0.89 -0.40 -0.06 5.02 0.31 -1.26 -1.22 118.33 121.61 3koy n VAL 96 Ca -0.07 2.08 -0.07 0.00 -0.01 0.00 0.00 64.34 66.27 3koy n VAL 96 Cb 0.52 -3.04 -0.01 0.00 -0.91 0.00 0.00 33.84 30.40 3koy n VAL 96 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3koy h ARG 97 N 0.00 -0.11 0.00 5.55 9.65 -1.93 -1.50 114.38 126.05 3koy h ARG 97 Ca 0.58 0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 59.33 3koy h ARG 97 Cb 1.20 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 3koy h ARG 97 CO -0.89 -0.07 -1.10 1.05 2.80 0.00 0.00 179.97 181.76 3koy h GLU 98 N -0.12 0.00 -0.36 0.20 4.11 -1.71 -2.68 114.58 114.02 3koy h GLU 98 Ca 0.14 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.63 3koy h GLU 98 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 3koy h GLU 98 CO -0.33 0.35 0.05 0.00 0.07 0.00 0.00 179.01 179.14 3koy h ALA 99 N 1.47 0.37 -0.28 1.06 0.00 -0.96 0.20 119.26 121.13 3koy h ALA 99 Ca -0.10 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3koy h ALA 99 Cb 1.49 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3koy h ALA 99 CO 0.05 -0.36 -0.15 0.78 0.00 0.00 0.00 179.25 179.58 3koy h GLY 100 N 0.16 0.65 0.94 0.00 0.00 -1.26 -1.77 103.07 101.79 3koy h GLY 100 Ca 0.17 -0.59 0.02 0.00 0.00 0.00 0.00 47.33 46.94 3koy h GLY 100 CO -0.25 0.53 0.53 -2.00 0.00 0.00 0.00 176.54 175.35 3koy h LEU 101 N 0.33 0.89 -0.28 3.11 5.85 -1.22 0.09 115.31 124.09 3koy h LEU 101 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3koy h LEU 101 Cb 0.67 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3koy h LEU 101 CO 0.04 0.63 0.18 0.00 -0.34 0.00 0.00 178.44 178.96 3koy h ALA 102 N 1.32 0.35 -0.11 1.25 0.00 -0.28 -2.24 119.26 119.55 3koy h ALA 102 Ca 0.31 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3koy h ALA 102 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3koy h ALA 102 CO -0.09 -0.18 -0.14 -0.07 0.00 0.00 0.00 179.25 178.77 3koy h LEU 103 N 0.38 0.16 -0.36 0.00 3.38 -0.76 -1.69 115.31 116.42 3koy h LEU 103 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3koy h LEU 103 Cb -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3koy h LEU 103 CO -0.02 0.32 0.00 -1.54 0.09 0.00 0.00 178.44 177.29 3koy n SER 104 N -4.29 0.33 -0.33 -0.43 3.41 -0.03 -2.67 113.62 109.62 3koy n SER 104 Ca -0.01 0.58 0.04 0.00 -0.26 0.00 0.00 58.87 59.22 3koy n SER 104 Cb 0.26 -0.65 0.10 0.00 -0.26 0.00 0.00 64.21 63.66 3koy n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3koy n GLU 105 N -1.87 2.72 0.00 4.33 1.02 -0.67 -4.72 120.64 121.45 3koy n GLU 105 Ca 0.03 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.18 3koy n GLU 105 Cb 0.20 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 -0.29 2.37 3.81 0.62 0.00 -1.09 -5.08 105.19 105.53 3koy n GLY 106 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.00 1.29 -0.18 1.61 1.02 -1.00 -3.81 119.74 117.68 3koy s LYS 107 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.24 3koy s LYS 107 Cb 0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 3koy s LYS 107 CO 0.00 -2.09 0.00 0.66 -0.92 0.00 0.00 175.35 173.00 3koy n TYR 108 N -3.68 -0.26 -0.05 3.18 4.01 -1.26 -4.29 117.16 114.80 3koy n TYR 108 Ca 0.07 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.65 3koy n TYR 108 Cb 0.60 -1.10 -0.06 0.00 -0.31 0.00 0.00 39.34 38.47 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 0.93 -0.65 -0.72 4.06 -1.95 -1.08 115.95 116.53 3koy h TRP 109 Ca -0.03 -0.36 0.12 0.00 2.06 0.00 0.00 58.89 60.67 3koy h TRP 109 Cb 0.26 -0.16 -0.09 0.00 -1.00 0.00 0.00 29.16 28.18 3koy h TRP 109 CO 0.14 1.16 0.21 -0.44 -3.56 0.00 0.00 178.44 175.96 3koy h ASP 110 N 0.43 0.15 -0.35 -3.49 3.45 -1.86 -2.12 116.42 112.63 3koy h ASP 110 Ca -0.01 0.10 -0.03 0.00 0.43 0.00 0.00 57.03 57.52 3koy h ASP 110 Cb 1.16 0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 40.02 3koy h ASP 110 CO 0.12 0.07 0.10 0.44 -1.57 0.00 0.00 179.24 178.41 3koy h ASP 111 N 0.36 0.51 -0.65 6.45 3.45 -1.91 -3.00 116.42 121.63 3koy h ASP 111 Ca 0.35 -0.21 0.10 0.00 0.43 0.00 0.00 57.03 57.69 3koy h ASP 111 Cb 0.49 -0.14 -0.07 0.00 -0.56 0.00 0.00 39.33 39.06 3koy h ASP 111 CO -0.38 0.59 0.28 0.00 -1.57 0.00 0.00 179.24 178.16 3koy h ALA 112 N 0.95 0.87 0.00 3.45 0.00 -0.77 0.11 119.26 123.87 3koy h ALA 112 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3koy h ALA 112 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3koy h ALA 112 CO -0.00 -0.14 0.26 -0.89 0.00 0.00 0.00 179.25 178.48 3koy n ILE 113 N -4.94 0.65 -0.05 0.00 5.41 -0.84 -5.10 119.36 114.50 3koy n ILE 113 Ca 0.10 0.75 0.00 0.00 1.00 0.00 0.00 62.75 64.60 3koy n ILE 113 Cb 0.28 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 3koy n ILE 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55