#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 -0.30 1.67 2.03 -1.26 -4.43 116.55 114.26 3koy n ASP 6 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 3koy n ASP 6 Cb 0.00 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.61 3koy n ASP 6 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3koy h PHE 7 N 0.00 -0.04 -0.52 -0.67 3.57 -2.05 0.43 116.94 117.65 3koy h PHE 7 Ca 0.00 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.63 3koy h PHE 7 Cb 0.00 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 3koy h PHE 7 CO 0.00 -0.31 0.20 1.96 -2.23 0.00 0.00 178.31 177.93 3koy h GLN 8 N 0.08 0.38 -0.00 1.11 1.08 -2.00 0.18 115.11 115.93 3koy h GLN 8 Ca 0.49 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 3koy h GLN 8 Cb 0.93 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 3koy h GLN 8 CO -0.77 0.25 -0.14 0.94 -0.95 0.00 0.00 178.83 178.16 3koy n GLN 9 N -4.98 0.06 0.00 1.46 0.00 -0.01 -3.19 117.38 110.72 3koy n GLN 9 Ca 0.06 -0.02 -0.20 0.00 -0.00 0.00 0.00 57.00 56.84 3koy n GLN 9 Cb 0.21 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.81 3koy n GLN 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3koy h ARG 10 N 0.04 0.21 0.00 3.69 2.47 0.10 -3.36 114.38 117.53 3koy h ARG 10 Ca 0.00 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 3koy h ARG 10 Cb 0.48 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3koy h ARG 10 CO 0.00 1.17 0.00 2.89 0.56 0.00 0.00 179.97 184.59 3koy n ARG 11 N -4.08 0.04 -0.36 0.04 1.85 0.50 -4.18 116.66 110.47 3koy n ARG 11 Ca -0.21 0.18 0.26 0.00 -1.00 0.00 0.00 57.85 57.07 3koy n ARG 11 Cb 0.82 -1.56 0.51 0.00 -1.05 0.00 0.00 32.46 31.18 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 2.66 2.19 0.00 2.89 0.00 -1.70 0.27 119.26 125.56 3koy h ALA 12 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3koy h ALA 12 Cb 0.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3koy h ALA 12 CO 0.00 -0.73 -0.13 -2.39 0.00 0.00 0.00 179.25 176.00 3koy n HIS 13 N -4.82 0.38 0.31 0.00 1.44 -1.26 -2.77 115.22 108.50 3koy n HIS 13 Ca 0.30 0.11 0.11 0.00 -2.01 0.00 0.00 57.72 56.24 3koy n HIS 13 Cb 1.02 -0.64 -0.00 0.00 0.12 0.00 0.00 29.99 30.49 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 -1.83 0.61 -0.28 2.39 4.77 0.88 -4.52 117.00 119.02 3koy n LEU 14 Ca 0.06 0.13 0.22 0.00 -0.03 0.00 0.00 56.01 56.39 3koy n LEU 14 Cb 0.38 -0.07 0.41 0.00 -2.33 0.00 0.00 43.42 41.81 3koy n LEU 14 CO 0.30 -0.05 0.82 0.00 -1.33 0.00 0.00 177.39 177.13 3koy n ALA 15 N -2.02 0.72 0.90 -1.18 0.00 -0.88 -0.78 120.51 117.26 3koy n ALA 15 Ca 0.00 0.88 0.10 0.00 0.00 0.00 0.00 53.44 54.42 3koy n ALA 15 Cb 0.50 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 3koy n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3koy n ASN 16 N -5.01 1.83 -4.76 0.00 5.03 -1.26 -4.96 115.26 106.12 3koy n ASN 16 Ca 0.28 -1.41 -0.39 0.00 0.87 0.00 0.00 54.58 53.93 3koy n ASN 16 Cb 0.94 0.51 0.01 0.00 -1.02 0.00 0.00 39.78 40.22 3koy n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3koy s LEU 17 N -2.36 4.09 0.71 3.41 1.43 0.04 -5.02 118.68 120.97 3koy s LEU 17 Ca 0.16 2.68 -0.11 0.00 -1.03 0.00 0.00 54.13 55.82 3koy s LEU 17 Cb 0.16 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 42.36 3koy s LEU 17 CO 0.53 -1.08 1.10 -0.94 0.23 0.00 0.00 176.35 176.19 3koy s SER 18 N -0.83 5.43 0.30 2.29 1.04 -1.26 -4.81 113.70 115.86 3koy s SER 18 Ca 0.62 1.13 0.05 0.00 0.48 0.00 0.00 55.95 58.23 3koy s SER 18 Cb -0.38 -1.93 0.72 0.00 0.10 0.00 0.00 66.02 64.53 3koy s SER 18 CO 0.48 -1.35 1.76 0.44 0.98 0.00 0.00 173.24 175.55 3koy h ASP 19 N -0.66 0.70 -0.30 7.02 3.32 -1.98 0.15 116.42 124.66 3koy h ASP 19 Ca -0.45 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.59 3koy h ASP 19 Cb 1.25 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3koy h ASP 19 CO 0.64 0.23 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.80 3koy h GLU 20 N 0.70 0.71 0.12 3.56 3.07 -1.98 0.42 114.58 121.18 3koy h GLU 20 Ca 0.57 -0.36 0.01 0.00 -0.50 0.00 0.00 59.36 59.08 3koy h GLU 20 Cb 0.90 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 3koy h GLU 20 CO -0.40 0.97 -0.18 0.93 -1.40 0.00 0.00 179.01 178.93 3koy h GLU 21 N 0.46 -0.34 -0.72 2.33 5.08 -1.77 -0.43 114.58 119.19 3koy h GLU 21 Ca 0.05 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3koy h GLU 21 Cb 0.82 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 3koy h GLU 21 CO 0.07 -0.23 0.40 1.25 -1.00 0.00 0.00 179.01 179.50 3koy h LEU 22 N -0.35 0.59 -0.22 1.33 5.85 -0.34 0.66 115.31 122.83 3koy h LEU 22 Ca 0.02 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3koy h LEU 22 Cb 0.36 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3koy h LEU 22 CO -0.09 0.37 -0.28 1.56 -0.34 0.00 0.00 178.44 179.66 3koy h GLN 23 N 0.73 0.58 0.00 1.25 4.20 0.04 -2.05 115.11 119.84 3koy h GLN 23 Ca 0.33 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3koy h GLN 23 Cb 0.22 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3koy h GLN 23 CO -0.20 0.93 -0.30 1.79 -0.67 0.00 0.00 178.83 180.38 3koy h THR 24 N 0.26 0.81 -0.40 -0.54 1.35 -0.66 -1.51 112.91 112.22 3koy h THR 24 Ca 0.03 -1.25 -0.15 0.00 -0.55 0.00 0.00 66.41 64.48 3koy h THR 24 Cb 0.86 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 3koy h THR 24 CO 0.07 0.30 -0.33 -0.09 -0.25 0.00 0.00 175.52 175.22 3koy h ARG 25 N 0.00 0.92 -0.59 4.72 2.43 -0.84 0.12 114.38 121.14 3koy h ARG 25 Ca -0.00 -0.46 0.08 0.00 -0.81 0.00 0.00 59.98 58.79 3koy h ARG 25 Cb 0.75 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.24 3koy h ARG 25 CO 0.04 1.12 0.24 0.35 -1.51 0.00 0.00 179.97 180.21 3koy h PHE 26 N 0.75 0.42 0.06 2.20 3.57 -0.54 -2.04 116.94 121.35 3koy h PHE 26 Ca 0.07 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.35 3koy h PHE 26 Cb 0.92 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3koy h PHE 26 CO 0.06 0.13 -1.25 -1.49 -2.23 0.00 0.00 178.31 173.54 3koy h TRP 27 N 0.44 0.21 -0.58 0.41 4.06 -1.35 -2.68 115.95 116.46 3koy h TRP 27 Ca 0.29 -0.16 0.03 0.00 2.06 0.00 0.00 58.89 61.11 3koy h TRP 27 Cb 0.33 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.44 3koy h TRP 27 CO -0.15 1.15 0.35 1.49 -3.56 0.00 0.00 178.44 177.71 3koy h GLU 28 N 0.03 0.66 -0.01 0.49 4.57 -0.57 -1.12 114.58 118.64 3koy h GLU 28 Ca -0.12 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 57.82 3koy h GLU 28 Cb 1.90 -0.15 0.02 0.00 -0.16 0.00 0.00 28.75 30.35 3koy h GLU 28 CO 0.15 0.44 -0.79 0.52 -1.18 0.00 0.00 179.01 178.14 3koy h MET 29 N 0.68 0.55 -0.55 1.92 2.86 -1.43 -1.40 114.93 117.56 3koy h MET 29 Ca 0.23 -0.58 0.10 0.00 -2.06 0.00 0.00 59.70 57.39 3koy h MET 29 Cb 0.03 0.16 -0.11 0.00 0.06 0.00 0.00 31.60 31.75 3koy h MET 29 CO -0.10 1.20 -0.34 0.00 1.06 0.00 0.00 176.91 178.73 3koy h ALA 30 N 0.37 -0.08 -0.69 6.32 0.00 -1.39 0.47 119.26 124.26 3koy h ALA 30 Ca -0.10 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3koy h ALA 30 Cb 1.48 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 20.01 3koy h ALA 30 CO 0.16 -0.69 0.33 1.49 0.00 0.00 0.00 179.25 180.53 3koy h GLU 31 N -0.18 0.98 -0.78 0.00 4.81 -1.10 -1.59 114.58 116.71 3koy h GLU 31 Ca 0.22 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3koy h GLU 31 Cb 0.55 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3koy h GLU 31 CO -0.65 0.76 0.51 0.87 -0.73 0.00 0.00 179.01 179.76 3koy h LYS 32 N 0.97 0.92 -0.20 1.92 1.57 -0.03 -2.67 116.57 119.05 3koy h LYS 32 Ca 0.24 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3koy h LYS 32 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3koy h LYS 32 CO -0.03 0.61 -0.02 0.82 -0.57 0.00 0.00 179.45 180.25 3koy h ILE 33 N 0.94 1.27 0.00 1.86 2.04 -0.00 -3.31 117.51 120.31 3koy h ILE 33 Ca 0.31 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3koy h ILE 33 Cb 0.06 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3koy h ILE 33 CO -0.09 0.29 -0.09 -0.37 0.00 0.00 0.00 178.15 177.89 3koy h VAL 34 N 0.10 0.15 -0.45 1.67 -1.51 -1.31 -3.36 116.25 111.54 3koy h VAL 34 Ca 0.05 -1.21 0.07 0.00 -1.23 0.00 0.00 66.70 64.38 3koy h VAL 34 Cb 0.44 2.07 -0.06 0.00 -2.13 0.00 0.00 31.29 31.61 3koy h VAL 34 CO 0.01 0.09 0.11 0.44 -1.23 0.00 0.00 177.57 176.99 3koy h ASP 35 N 0.00 0.05 0.25 4.19 3.32 -1.57 0.22 116.42 122.87 3koy h ASP 35 Ca -0.00 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3koy h ASP 35 Cb 1.06 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3koy h ASP 35 CO 0.01 0.06 -0.05 -0.65 -1.72 0.00 0.00 179.24 176.89 3koy h PRO 36 N 0.25 0.00 -0.00 3.56 0.11 -1.78 -1.36 132.00 132.78 3koy h PRO 36 Ca 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 3koy h PRO 36 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3koy h PRO 36 CO -0.27 0.05 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.43 3koy h LEU 37 N 0.00 0.06 -1.43 2.35 3.38 -0.84 -2.82 115.31 116.01 3koy h LEU 37 Ca -0.00 -0.79 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 3koy h LEU 37 Cb 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3koy h LEU 37 CO 0.01 0.84 0.33 -0.07 0.09 0.00 0.00 178.44 179.64 3koy h LEU 38 N -0.71 0.63 -1.08 1.67 3.38 -0.97 -2.10 115.31 116.12 3koy h LEU 38 Ca -0.01 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3koy h LEU 38 Cb 0.86 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3koy h LEU 38 CO 0.01 0.48 -0.40 -0.78 0.09 0.00 0.00 178.44 177.84 3koy h ASP 39 N 0.73 0.00 -0.44 -0.43 3.58 -1.31 -2.34 116.42 116.22 3koy h ASP 39 Ca 0.19 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.54 3koy h ASP 39 Cb -0.05 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3koy h ASP 39 CO -0.04 0.40 -0.12 -0.07 -2.88 0.00 0.00 179.24 176.52 3koy h LEU 40 N 0.00 0.91 -1.38 2.28 3.38 -1.11 -2.88 115.31 116.51 3koy h LEU 40 Ca -0.00 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3koy h LEU 40 Cb 0.82 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3koy h LEU 40 CO 0.05 1.04 -0.27 1.23 0.09 0.00 0.00 178.44 180.58 3koy h GLY 41 N 0.96 0.00 1.23 0.83 0.00 -1.24 -2.58 103.07 102.27 3koy h GLY 41 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.27 3koy h GLY 41 CO 0.05 0.00 -0.61 0.50 0.00 0.00 0.00 176.54 176.48 3koy h LYS 42 N 0.00 0.79 -0.12 4.80 1.57 -1.35 -3.36 116.57 118.90 3koy h LYS 42 Ca -0.00 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3koy h LYS 42 Cb 0.62 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3koy h LYS 42 CO 0.04 1.17 0.00 1.63 -0.57 0.00 0.00 179.45 181.71 3koy n LYS 43 N -3.98 2.18 -4.10 3.15 5.02 -1.09 -4.98 118.16 114.37 3koy n LYS 43 Ca -0.05 -1.73 -0.14 0.00 -2.02 0.00 0.00 58.31 54.37 3koy n LYS 43 Cb 0.66 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.84 0.75 0.37 4.39 0.01 -0.99 -5.08 114.94 112.54 3koy s ASN 44 Ca 0.33 -1.41 -0.04 0.00 -0.71 0.00 0.00 52.86 51.03 3koy s ASN 44 Cb 0.21 0.62 0.02 0.00 0.41 0.00 0.00 41.25 42.50 3koy s ASN 44 CO 0.31 -1.22 0.55 1.07 -1.51 0.00 0.00 177.10 176.29 3koy n THR 45 N -0.52 0.00 -4.04 1.60 5.66 -1.26 -4.84 114.28 110.89 3koy n THR 45 Ca 0.01 -1.73 -0.10 0.00 -3.05 0.00 0.00 64.05 59.18 3koy n THR 45 Cb 0.62 1.12 -0.08 0.00 -1.55 0.00 0.00 70.33 70.44 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 -2.73 0.04 0.46 1.09 -4.23 -1.26 -5.04 115.64 103.97 3koy s THR 46 Ca 0.28 -1.57 0.17 0.00 -1.18 0.00 0.00 61.69 59.39 3koy s THR 46 Cb -0.02 -2.08 0.34 0.00 1.34 0.00 0.00 72.50 72.09 3koy s THR 46 CO 0.20 -0.18 1.99 -0.65 -0.54 0.00 0.00 174.62 175.43 3koy h PRO 47 N 2.53 0.28 0.08 3.99 0.11 -1.99 -1.78 132.00 135.21 3koy h PRO 47 Ca -0.32 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.47 3koy h PRO 47 Cb 1.23 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3koy h PRO 47 CO 0.47 0.18 -1.67 0.66 -0.21 0.00 0.00 178.00 177.43 3koy h SER 48 N 0.28 0.26 -0.67 -2.05 4.64 -1.98 -1.31 113.55 112.73 3koy h SER 48 Ca 0.27 -0.45 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 3koy h SER 48 Cb 0.66 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.63 3koy h SER 48 CO -0.06 1.39 0.42 0.40 -0.87 0.00 0.00 176.83 178.12 3koy h ILE 49 N 0.05 1.09 -0.30 0.95 2.04 -1.94 -0.25 117.51 119.15 3koy h ILE 49 Ca -0.29 -0.28 -0.15 0.00 1.00 0.00 0.00 64.86 65.14 3koy h ILE 49 Cb 2.01 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3koy h ILE 49 CO 0.12 0.15 -0.42 -0.33 0.00 0.00 0.00 178.15 177.67 3koy h GLU 50 N 0.83 0.75 -0.36 2.37 4.39 -1.33 -1.53 114.58 119.69 3koy h GLU 50 Ca 0.27 -0.40 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 3koy h GLU 50 Cb 0.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3koy h GLU 50 CO -0.10 1.02 -0.16 0.00 -1.16 0.00 0.00 179.01 178.61 3koy h ARG 51 N 0.61 0.66 -0.07 2.33 3.08 -1.11 -2.14 114.38 117.73 3koy h ARG 51 Ca 0.05 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 3koy h ARG 51 Cb 0.97 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3koy h ARG 51 CO 0.09 0.79 -0.36 0.66 -1.07 0.00 0.00 179.97 180.07 3koy h SER 52 N 0.59 0.14 -0.22 7.04 4.64 -0.70 0.70 113.55 125.75 3koy h SER 52 Ca 0.10 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3koy h SER 52 Cb 0.61 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3koy h SER 52 CO 0.04 0.50 0.07 0.58 -0.87 0.00 0.00 176.83 177.15 3koy h VAL 53 N 0.12 1.19 0.00 0.95 2.07 -0.94 -2.86 116.25 116.79 3koy h VAL 53 Ca 0.01 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 3koy h VAL 53 Cb 0.71 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3koy h VAL 53 CO 0.05 0.19 -0.20 -0.07 0.02 0.00 0.00 177.57 177.56 3koy h LEU 54 N 0.18 0.00 -0.27 2.57 3.38 -0.61 -1.44 115.31 119.13 3koy h LEU 54 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3koy h LEU 54 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3koy h LEU 54 CO -0.00 0.20 -0.06 -0.07 0.09 0.00 0.00 178.44 178.61 3koy h LEU 55 N 0.00 0.51 -2.07 1.67 3.38 -0.83 -2.04 115.31 115.93 3koy h LEU 55 Ca -0.00 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3koy h LEU 55 Cb 0.36 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3koy h LEU 55 CO 0.03 0.75 -0.06 0.03 0.09 0.00 0.00 178.44 179.28 3koy h ARG 56 N 0.27 0.00 -0.00 1.13 3.08 -1.14 -2.09 114.38 115.62 3koy h ARG 56 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3koy h ARG 56 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3koy h ARG 56 CO 0.02 0.06 -0.08 -1.33 -1.07 0.00 0.00 179.97 177.58 3koy n MET 57 N -4.08 0.19 0.00 0.04 2.81 -0.61 -4.92 117.12 110.55 3koy n MET 57 Ca -0.03 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3koy n MET 57 Cb 0.15 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 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 1.42 1.99 3.49 3.03 0.00 -0.79 -4.86 105.19 109.48 3koy n GLY 58 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 2.58 0.77 1.61 0.08 -0.79 -5.02 117.98 115.21 3koy s PHE 59 Ca 0.00 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 3koy s PHE 59 Cb 0.00 -1.40 0.05 0.00 -0.57 0.00 0.00 43.02 41.10 3koy s PHE 59 CO 0.00 0.35 1.08 -1.54 -0.10 0.00 0.00 175.22 175.01 3koy s SER 60 N -1.90 4.70 0.31 1.36 1.04 -1.26 -4.21 113.70 113.74 3koy s SER 60 Ca 0.17 1.47 0.07 0.00 0.48 0.00 0.00 55.95 58.14 3koy s SER 60 Cb -0.11 -2.25 0.76 0.00 0.10 0.00 0.00 66.02 64.52 3koy s SER 60 CO 0.09 -1.86 1.79 0.77 0.98 0.00 0.00 173.24 175.01 3koy h SER 61 N -1.01 0.76 -0.59 7.02 4.64 -1.97 0.26 113.55 122.66 3koy h SER 61 Ca -0.46 0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 60.89 3koy h SER 61 Cb 1.25 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3koy h SER 61 CO 0.57 0.29 0.15 -0.07 -0.87 0.00 0.00 176.83 176.90 3koy h LEU 62 N 0.75 0.89 -0.69 5.97 3.38 -2.01 -2.02 115.31 121.59 3koy h LEU 62 Ca 0.56 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 3koy h LEU 62 Cb 0.89 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3koy h LEU 62 CO -0.35 0.89 -0.52 -0.33 0.09 0.00 0.00 178.44 178.22 3koy h GLU 63 N 0.86 0.00 -0.07 1.13 5.08 -1.55 -2.85 114.58 117.17 3koy h GLU 63 Ca 0.19 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 3koy h GLU 63 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3koy h GLU 63 CO 0.00 0.52 -0.68 0.00 -1.00 0.00 0.00 179.01 177.85 3koy h ALA 64 N 1.48 0.18 -0.64 3.43 0.00 -0.70 -2.42 119.26 120.58 3koy h ALA 64 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.34 3koy h ALA 64 Cb 1.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3koy h ALA 64 CO 0.07 0.49 0.42 -0.22 0.00 0.00 0.00 179.25 180.01 3koy h LYS 65 N 0.21 0.84 -0.40 0.00 3.64 -1.37 -2.21 116.57 117.28 3koy h LYS 65 Ca -0.07 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3koy h LYS 65 Cb 1.34 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 3koy h LYS 65 CO 0.14 0.56 0.14 0.00 -2.27 0.00 0.00 179.45 178.02 3koy h ALA 66 N 1.24 0.47 -0.39 5.00 0.00 -1.43 0.94 119.26 125.08 3koy h ALA 66 Ca 0.24 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3koy h ALA 66 Cb -0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3koy h ALA 66 CO -0.05 -0.24 -0.22 0.82 0.00 0.00 0.00 179.25 179.55 3koy h ILE 67 N 0.31 1.28 0.07 0.00 2.04 -1.31 -2.69 117.51 117.20 3koy h ILE 67 Ca 0.18 -1.37 -0.27 0.00 1.00 0.00 0.00 64.86 64.40 3koy h ILE 67 Cb 0.16 1.32 0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3koy h ILE 67 CO -0.18 0.46 -1.13 0.58 0.00 0.00 0.00 178.15 177.87 3koy h VAL 68 N 0.65 1.35 0.06 1.67 2.07 -1.26 0.50 116.25 121.29 3koy h VAL 68 Ca 0.08 -2.51 0.03 0.00 0.82 0.00 0.00 66.70 65.11 3koy h VAL 68 Cb 0.79 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 33.12 3koy h VAL 68 CO 0.06 0.76 -0.34 0.44 0.02 0.00 0.00 177.57 178.51 3koy h ASP 69 N 0.25 -1.01 -0.25 0.57 3.32 -0.84 -0.02 116.42 118.44 3koy h ASP 69 Ca -0.14 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3koy h ASP 69 Cb 1.80 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 41.72 3koy h ASP 69 CO 0.21 -0.41 0.07 0.11 -1.72 0.00 0.00 179.24 177.49 3koy h LYS 70 N -0.53 0.48 -0.24 3.56 1.57 -1.45 -2.16 116.57 117.80 3koy h LYS 70 Ca 0.04 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3koy h LYS 70 Cb 0.59 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3koy h LYS 70 CO -0.24 0.46 -0.07 1.15 -0.57 0.00 0.00 179.45 180.19 3koy h THR 71 N 0.48 1.19 -0.05 -0.16 2.02 -0.09 -2.55 112.91 113.75 3koy h THR 71 Ca 0.11 -0.78 -0.20 0.00 0.77 0.00 0.00 66.41 66.32 3koy h THR 71 Cb 0.21 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3koy h THR 71 CO -0.00 0.25 -0.81 0.24 0.37 0.00 0.00 175.52 175.57 3koy h MET 72 N 0.36 0.39 0.00 6.66 2.86 -0.39 -1.35 114.93 123.46 3koy h MET 72 Ca 0.08 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 3koy h MET 72 Cb 0.35 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3koy h MET 72 CO 0.02 1.02 -0.20 -0.44 1.06 0.00 0.00 176.91 178.36 3koy h ASP 73 N 0.25 0.00 -0.63 1.22 5.19 -1.12 -2.55 116.42 118.79 3koy h ASP 73 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3koy h ASP 73 Cb 1.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.92 3koy h ASP 73 CO 0.14 0.20 0.00 0.54 -3.12 0.00 0.00 179.24 177.00 3koy n ARG 74 N -3.66 3.42 -3.40 3.56 5.12 -0.99 -4.92 116.66 115.79 3koy n ARG 74 Ca -0.01 -2.66 -0.24 0.00 -1.93 0.00 0.00 57.85 53.00 3koy n ARG 74 Cb 0.33 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 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 1.19 -0.49 0.77 -0.13 0.00 -0.96 -4.84 105.19 100.73 3koy n GLY 75 Ca 0.24 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.88 2.65 -0.33 0.99 4.77 -0.51 -4.64 117.00 116.05 3koy n LEU 76 Ca -0.02 -1.16 0.14 0.00 -0.03 0.00 0.00 56.01 54.94 3koy n LEU 76 Cb 0.55 -0.06 0.36 0.00 -2.33 0.00 0.00 43.42 41.94 3koy n LEU 76 CO 0.54 0.51 1.20 0.24 -1.33 0.00 0.00 177.39 178.55 3koy h MET 77 N 3.48 0.67 0.00 3.23 2.86 -1.88 -0.97 114.93 122.33 3koy h MET 77 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3koy h MET 77 Cb 0.77 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3koy h MET 77 CO 0.00 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.83 3koy n GLY 78 N -1.37 -0.93 0.10 8.32 0.00 -1.26 -1.74 105.19 108.31 3koy n GLY 78 Ca 0.22 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.45 3koy n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3koy h LYS 79 N 0.00 0.00 0.00 1.61 1.79 -1.53 -3.50 116.57 114.94 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 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3koy h LYS 79 CO 0.00 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 178.96 3koy n GLY 80 N 1.31 1.88 0.34 3.86 0.00 -0.71 -4.60 105.19 107.27 3koy n GLY 80 Ca -0.06 -1.25 0.03 0.00 0.00 0.00 0.00 46.02 44.74 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 1.59 -0.12 4.61 0.00 -1.86 -1.06 119.26 122.42 3koy h ALA 81 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3koy h ALA 81 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.56 3koy h ALA 81 CO 0.00 0.36 -0.59 0.78 0.00 0.00 0.00 179.25 179.80 3koy h GLY 82 N 0.83 0.66 0.58 0.00 0.00 -1.91 -2.64 103.07 100.60 3koy h GLY 82 Ca 0.26 -0.94 0.11 0.00 0.00 0.00 0.00 47.33 46.76 3koy h GLY 82 CO -0.07 0.84 0.60 0.84 0.00 0.00 0.00 176.54 178.75 3koy h HIS 83 N 0.24 1.02 -0.06 5.60 6.17 -1.73 -0.15 115.15 126.25 3koy h HIS 83 Ca -0.04 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.07 3koy h HIS 83 Cb 1.23 -0.33 -0.00 0.00 2.52 0.00 0.00 27.41 30.83 3koy h HIS 83 CO 0.11 0.43 0.02 0.82 0.71 0.00 0.00 177.93 180.02 3koy h ILE 84 N 0.91 1.13 -0.08 6.26 1.08 -1.07 -0.30 117.51 125.44 3koy h ILE 84 Ca 0.46 -0.38 -0.06 0.00 -0.39 0.00 0.00 64.86 64.49 3koy h ILE 84 Cb 0.49 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 3koy h ILE 84 CO -0.22 0.11 -0.23 0.58 -0.69 0.00 0.00 178.15 177.70 3koy h VAL 85 N -0.06 1.20 0.01 1.67 2.07 -1.05 -2.40 116.25 117.69 3koy h VAL 85 Ca 0.02 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3koy h VAL 85 Cb 0.15 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3koy h VAL 85 CO -0.00 0.28 -0.12 0.22 0.02 0.00 0.00 177.57 177.97 3koy h TYR 86 N 0.12 0.10 -0.69 1.57 3.20 -0.79 -2.68 116.97 117.81 3koy h TYR 86 Ca 0.02 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.86 3koy h TYR 86 Cb 0.48 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 3koy h TYR 86 CO 0.00 0.94 0.42 0.87 -1.64 0.00 0.00 178.16 178.75 3koy h LYS 87 N -0.76 0.79 -0.62 1.82 1.79 -0.98 -1.52 116.57 117.10 3koy h LYS 87 Ca -0.02 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 3koy h LYS 87 Cb 0.98 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 3koy h LYS 87 CO 0.02 0.52 0.13 0.82 -1.08 0.00 0.00 179.45 179.87 3koy h ILE 88 N 0.82 1.25 -0.39 1.86 1.08 -1.52 0.72 117.51 121.33 3koy h ILE 88 Ca 0.28 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 3koy h ILE 88 Cb 0.05 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 3koy h ILE 88 CO -0.12 0.35 0.25 0.00 -0.69 0.00 0.00 178.15 177.94 3koy h ALA 89 N 1.20 0.50 0.86 1.87 0.00 -1.05 -1.00 119.26 121.64 3koy h ALA 89 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3koy h ALA 89 Cb 0.36 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3koy h ALA 89 CO 0.00 -0.03 -0.41 0.87 0.00 0.00 0.00 179.25 179.68 3koy h LYS 90 N 0.52 -1.12 -0.01 0.00 1.79 -0.92 0.15 116.57 116.99 3koy h LYS 90 Ca 0.14 0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.71 3koy h LYS 90 Cb -0.03 0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 3koy h LYS 90 CO -0.03 -0.74 -0.12 0.93 -1.08 0.00 0.00 179.45 178.40 3koy h GLU 91 N -1.20 -0.20 -0.94 3.15 4.39 -0.72 0.23 114.58 119.30 3koy h GLU 91 Ca -0.12 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 3koy h GLU 91 Cb 0.89 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 3koy h GLU 91 CO 0.19 -0.13 0.04 1.63 -1.16 0.00 0.00 179.01 179.58 3koy n LYS 92 N -5.25 1.67 -4.48 2.33 4.76 -0.39 -4.89 118.16 111.90 3koy n LYS 92 Ca -0.05 -0.66 -0.40 0.00 -2.87 0.00 0.00 58.31 54.33 3koy n LYS 92 Cb 0.18 -1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 31.74 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 0.14 -1.35 -0.34 4.39 4.05 0.81 -4.95 115.26 118.01 3koy n ASN 93 Ca 0.08 -1.24 0.00 0.00 0.45 0.00 0.00 54.58 53.87 3koy n ASN 93 Cb 0.53 -1.68 0.00 0.00 1.23 0.00 0.00 39.78 39.87 3koy n ASN 93 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3koy n ILE 94 N -4.18 0.00 -3.93 -1.44 -5.35 0.49 -5.01 119.36 99.94 3koy n ILE 94 Ca 0.03 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.19 3koy n ILE 94 Cb 0.50 -0.46 -0.04 0.00 -1.74 0.00 0.00 39.64 37.89 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 -0.11 6.30 0.30 7.28 1.04 -1.26 -4.54 113.70 122.72 3koy s SER 95 Ca 0.00 0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.76 3koy s SER 95 Cb 0.00 -1.94 0.80 0.00 0.10 0.00 0.00 66.02 64.98 3koy s SER 95 CO 0.00 0.20 1.67 0.58 0.98 0.00 0.00 173.24 176.67 3koy h VAL 96 N 2.38 0.36 0.40 5.02 2.07 -1.90 0.13 116.25 124.72 3koy h VAL 96 Ca -0.47 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3koy h VAL 96 Cb 1.17 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3koy h VAL 96 CO 0.73 0.06 -0.19 -0.09 0.02 0.00 0.00 177.57 178.09 3koy h ARG 97 N 0.30 -0.52 -0.15 1.57 9.65 -1.94 -2.39 114.38 120.91 3koy h ARG 97 Ca 0.60 0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.56 3koy h ARG 97 Cb 1.22 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.87 3koy h ARG 97 CO -0.60 -0.28 -0.16 0.93 2.80 0.00 0.00 179.97 182.66 3koy h GLU 98 N -0.65 -0.18 -0.91 0.20 5.08 -1.32 -2.02 114.58 114.79 3koy h GLU 98 Ca -0.05 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3koy h GLU 98 Cb 0.47 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 3koy h GLU 98 CO 0.09 -0.12 0.58 0.00 -1.00 0.00 0.00 179.01 178.56 3koy h ALA 99 N 0.88 1.69 0.40 3.43 0.00 -0.87 0.32 119.26 125.10 3koy h ALA 99 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3koy h ALA 99 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3koy h ALA 99 CO -0.26 0.10 -0.19 0.78 0.00 0.00 0.00 179.25 179.68 3koy h GLY 100 N 0.83 -0.56 -0.64 0.00 0.00 -0.86 0.24 103.07 102.09 3koy h GLY 100 Ca 0.44 0.21 0.29 0.00 0.00 0.00 0.00 47.33 48.26 3koy h GLY 100 CO -0.20 -0.20 0.32 1.41 0.00 0.00 0.00 176.54 177.86 3koy h LEU 101 N -0.73 0.08 0.44 3.11 4.07 -1.23 0.44 115.31 121.48 3koy h LEU 101 Ca -0.05 0.22 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 3koy h LEU 101 Cb 0.41 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 3koy h LEU 101 CO 0.09 -0.23 -0.32 0.00 -1.08 0.00 0.00 178.44 176.90 3koy h ALA 102 N 1.87 -0.76 -0.51 1.53 0.00 -0.79 -2.93 119.26 117.67 3koy h ALA 102 Ca 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3koy h ALA 102 Cb 1.43 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 3koy h ALA 102 CO -0.71 -0.95 0.29 -0.07 0.00 0.00 0.00 179.25 177.81 3koy h LEU 103 N -0.75 0.61 0.00 0.00 3.38 0.32 -2.28 115.31 116.60 3koy h LEU 103 Ca -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3koy h LEU 103 Cb 0.63 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3koy h LEU 103 CO 0.01 0.49 0.00 -1.54 0.09 0.00 0.00 178.44 177.50 3koy n SER 104 N -4.41 0.00 0.00 -0.43 3.41 0.74 -1.81 113.62 111.11 3koy n SER 104 Ca 0.04 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3koy n SER 104 Cb 0.09 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.07 1.24 0.00 4.33 1.02 -0.90 -4.78 120.64 120.49 3koy n GLU 105 Ca 0.12 -1.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 3koy n GLU 105 Cb 0.08 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.27 0.36 3.75 0.62 0.00 -0.75 -5.08 105.19 103.82 3koy n GLY 106 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.86 4.59 0.00 1.61 1.02 -0.97 -4.14 119.74 120.99 3koy s LYS 107 Ca 0.00 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.20 3koy s LYS 107 Cb 0.00 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 3koy s LYS 107 CO 0.00 0.35 0.00 0.66 -0.92 0.00 0.00 175.35 175.44 3koy n TYR 108 N 2.44 0.00 0.26 3.18 4.01 -1.26 -3.69 117.16 122.09 3koy n TYR 108 Ca -0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.82 3koy n TYR 108 Cb 0.49 0.00 0.67 0.00 -0.31 0.00 0.00 39.34 40.20 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 0.00 0.58 -0.72 4.06 -1.93 -1.28 115.95 116.65 3koy h TRP 109 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3koy h TRP 109 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3koy h TRP 109 CO 0.00 0.09 -0.39 -0.44 -3.56 0.00 0.00 178.44 174.14 3koy h ASP 110 N 0.00 -1.00 -0.22 -3.49 5.19 -1.90 -2.59 116.42 112.41 3koy h ASP 110 Ca -0.00 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 3koy h ASP 110 Cb 0.19 0.30 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 3koy h ASP 110 CO 0.01 -0.59 0.13 0.44 -3.12 0.00 0.00 179.24 176.11 3koy h ASP 111 N -0.93 0.30 0.09 6.45 5.19 -1.68 -2.53 116.42 123.31 3koy h ASP 111 Ca -0.07 -0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.18 3koy h ASP 111 Cb 0.77 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 3koy h ASP 111 CO 0.05 0.26 -0.53 0.00 -3.12 0.00 0.00 179.24 175.90 3koy h ALA 112 N 1.79 0.78 0.00 3.45 0.00 -1.21 -2.77 119.26 121.30 3koy h ALA 112 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3koy h ALA 112 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3koy h ALA 112 CO -0.01 0.68 0.05 -0.89 0.00 0.00 0.00 179.25 179.08 3koy n ILE 113 N -3.96 1.04 -0.38 0.00 5.41 -0.95 -5.11 119.36 115.41 3koy n ILE 113 Ca -0.03 0.72 0.00 0.00 1.00 0.00 0.00 62.75 64.44 3koy n ILE 113 Cb 0.58 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 3koy n ILE 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55