#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 0.02 -2.24 2.03 -1.26 -4.51 116.55 110.59 3koy n ASP 6 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 3koy n ASP 6 Cb 0.00 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.48 -0.98 -0.67 3.57 -2.05 -1.76 116.94 115.52 3koy h PHE 7 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 3koy h PHE 7 Cb 0.00 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.52 3koy h PHE 7 CO 0.00 0.30 0.64 1.96 -2.23 0.00 0.00 178.31 178.98 3koy h GLN 8 N 0.51 1.18 0.00 1.11 1.08 -2.01 -2.89 115.11 114.09 3koy h GLN 8 Ca 0.14 -0.07 -0.27 0.00 -1.45 0.00 0.00 58.65 57.00 3koy h GLN 8 Cb -0.04 -0.27 -0.05 0.00 -0.05 0.00 0.00 27.48 27.07 3koy h GLN 8 CO -0.03 0.78 -1.68 0.00 -0.95 0.00 0.00 178.83 176.94 3koy n GLN 9 N -4.46 0.63 -0.03 1.46 10.64 -0.82 -4.09 117.38 120.72 3koy n GLN 9 Ca 0.14 0.27 -0.02 0.00 -1.83 0.00 0.00 57.00 55.56 3koy n GLN 9 Cb 0.12 -1.78 0.24 0.00 -0.86 0.00 0.00 30.24 27.96 3koy n GLN 9 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3koy h ARG 10 N 0.00 0.60 0.00 2.61 3.08 -1.37 -2.81 114.38 116.50 3koy h ARG 10 Ca -0.27 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3koy h ARG 10 Cb 1.94 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.91 3koy h ARG 10 CO 0.07 0.65 0.00 2.89 -1.07 0.00 0.00 179.97 182.51 3koy n ARG 11 N -4.24 0.11 -0.26 0.04 1.85 -1.09 -4.03 116.66 109.04 3koy n ARG 11 Ca 0.02 0.29 0.23 0.00 -1.00 0.00 0.00 57.85 57.39 3koy n ARG 11 Cb 0.28 -1.69 0.43 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 n ALA 12 N -1.65 0.75 1.42 2.89 0.00 -1.06 0.20 120.51 123.06 3koy n ALA 12 Ca 0.03 0.84 0.13 0.00 0.00 0.00 0.00 53.44 54.44 3koy n ALA 12 Cb 0.24 -0.79 0.48 0.00 0.00 0.00 0.00 19.45 19.38 3koy n ALA 12 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3koy n HIS 13 N -4.90 0.04 -0.07 0.00 1.44 -1.26 -3.63 115.22 106.85 3koy n HIS 13 Ca 0.28 -0.02 -0.06 0.00 -2.01 0.00 0.00 57.72 55.91 3koy n HIS 13 Cb 0.96 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.95 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 0.25 0.00 -0.24 2.39 4.77 0.53 -4.70 117.00 120.00 3koy n LEU 14 Ca 0.18 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.39 3koy n LEU 14 Cb 0.36 0.34 0.42 0.00 -2.33 0.00 0.00 43.42 42.20 3koy n LEU 14 CO 0.16 0.34 0.77 0.00 -1.33 0.00 0.00 177.39 177.33 3koy n ALA 15 N -2.52 0.73 0.64 -1.18 0.00 -0.10 -0.26 120.51 117.82 3koy n ALA 15 Ca -0.23 0.77 0.08 0.00 0.00 0.00 0.00 53.44 54.07 3koy n ALA 15 Cb 0.94 -0.74 0.08 0.00 0.00 0.00 0.00 19.45 19.73 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 -4.74 2.48 -4.77 0.00 3.02 -1.26 -4.98 115.26 105.01 3koy n ASN 16 Ca 0.27 -1.73 -0.40 0.00 -0.03 0.00 0.00 54.58 52.70 3koy n ASN 16 Cb 0.92 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 40.06 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 -1.38 4.23 1.24 3.41 1.43 0.64 -5.01 118.68 123.24 3koy s LEU 17 Ca 0.21 2.65 -0.20 0.00 -1.03 0.00 0.00 54.13 55.75 3koy s LEU 17 Cb 0.14 -3.88 0.30 0.00 0.03 0.00 0.00 46.19 42.79 3koy s LEU 17 CO 0.21 -0.81 1.11 -0.94 0.23 0.00 0.00 176.35 176.15 3koy s SER 18 N -0.73 0.61 0.05 2.29 1.04 -1.26 -4.79 113.70 110.91 3koy s SER 18 Ca 0.56 0.55 -0.17 0.00 0.48 0.00 0.00 55.95 57.37 3koy s SER 18 Cb -0.38 -0.72 -0.18 0.00 0.10 0.00 0.00 66.02 64.84 3koy s SER 18 CO 0.49 -4.31 1.24 0.44 0.98 0.00 0.00 173.24 172.08 3koy h ASP 19 N -2.71 0.65 -0.75 7.02 3.32 -1.99 -1.81 116.42 120.14 3koy h ASP 19 Ca -0.43 -0.64 0.06 0.00 0.02 0.00 0.00 57.03 56.04 3koy h ASP 19 Cb 1.29 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.59 3koy h ASP 19 CO 0.30 1.18 0.44 -0.33 -1.72 0.00 0.00 179.24 179.12 3koy h GLU 20 N 0.16 0.79 -0.68 3.56 3.07 -1.98 -1.35 114.58 118.14 3koy h GLU 20 Ca -0.03 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.74 3koy h GLU 20 Cb 1.17 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.87 3koy h GLU 20 CO 0.11 0.52 0.28 0.93 -1.40 0.00 0.00 179.01 179.45 3koy h GLU 21 N 0.81 1.02 -0.29 2.33 5.08 -1.90 0.17 114.58 121.79 3koy h GLU 21 Ca 0.34 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 3koy h GLU 21 Cb 0.19 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3koy h GLU 21 CO -0.18 0.84 -0.36 1.25 -1.00 0.00 0.00 179.01 179.56 3koy h LEU 22 N 0.97 0.69 -0.41 1.33 5.85 -1.07 -2.00 115.31 120.66 3koy h LEU 22 Ca 0.23 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3koy h LEU 22 Cb 0.19 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3koy h LEU 22 CO -0.02 0.98 0.09 -0.61 -0.34 0.00 0.00 178.44 178.54 3koy h GLN 23 N 0.55 0.66 0.14 1.25 4.15 -0.93 -0.73 115.11 120.20 3koy h GLN 23 Ca 0.05 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 3koy h GLN 23 Cb 0.87 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 3koy h GLN 23 CO 0.08 0.69 -0.08 1.15 -1.93 0.00 0.00 178.83 178.74 3koy h THR 24 N 0.53 0.83 -0.47 2.39 2.02 -0.54 -2.65 112.91 115.02 3koy h THR 24 Ca 0.13 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 3koy h THR 24 Cb 0.33 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3koy h THR 24 CO 0.00 0.00 0.07 -0.09 0.37 0.00 0.00 175.52 175.87 3koy h ARG 25 N -0.21 0.72 0.32 6.66 2.43 -1.24 0.12 114.38 123.19 3koy h ARG 25 Ca -0.01 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3koy h ARG 25 Cb 0.17 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3koy h ARG 25 CO 0.02 0.69 -0.35 0.35 -1.51 0.00 0.00 179.97 179.17 3koy h PHE 26 N 0.69 -0.93 -0.28 2.20 3.57 -1.04 -2.45 116.94 118.69 3koy h PHE 26 Ca 0.15 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 3koy h PHE 26 Cb 0.33 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3koy h PHE 26 CO 0.02 -0.48 -0.34 -1.49 -2.23 0.00 0.00 178.31 173.78 3koy h TRP 27 N -0.70 0.71 -0.89 0.41 4.06 -1.08 -1.33 115.95 117.13 3koy h TRP 27 Ca -0.02 -0.19 0.09 0.00 2.06 0.00 0.00 58.89 60.84 3koy h TRP 27 Cb 0.64 -0.16 -0.06 0.00 -1.00 0.00 0.00 29.16 28.58 3koy h TRP 27 CO -0.21 0.87 0.58 0.93 -3.56 0.00 0.00 178.44 177.05 3koy h GLU 28 N 0.52 0.87 0.09 0.49 5.08 -0.73 0.11 114.58 121.01 3koy h GLU 28 Ca 0.06 -0.05 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 3koy h GLU 28 Cb 0.83 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3koy h GLU 28 CO 0.07 0.57 -1.58 0.52 -1.00 0.00 0.00 179.01 177.60 3koy h MET 29 N 0.89 0.19 -0.55 2.33 2.86 -1.11 -1.56 114.93 117.99 3koy h MET 29 Ca 0.41 -0.33 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 3koy h MET 29 Cb 0.40 0.12 -0.11 0.00 0.06 0.00 0.00 31.60 32.07 3koy h MET 29 CO -0.17 1.01 -0.32 0.00 1.06 0.00 0.00 176.91 178.49 3koy h ALA 30 N 0.56 -0.04 -0.47 6.32 0.00 -0.93 -1.05 119.26 123.65 3koy h ALA 30 Ca -0.25 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3koy h ALA 30 Cb 2.00 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 20.50 3koy h ALA 30 CO 0.14 -0.67 0.26 1.49 0.00 0.00 0.00 179.25 180.47 3koy h GLU 31 N -0.17 0.50 -0.70 0.00 4.81 -0.70 -2.22 114.58 116.10 3koy h GLU 31 Ca 0.22 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3koy h GLU 31 Cb 0.54 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 3koy h GLU 31 CO -0.64 0.33 0.43 0.87 -0.73 0.00 0.00 179.01 179.27 3koy h LYS 32 N 0.51 0.80 -0.66 1.92 1.57 -0.71 -0.63 116.57 119.37 3koy h LYS 32 Ca 0.20 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3koy h LYS 32 Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3koy h LYS 32 CO -0.11 0.53 0.26 0.82 -0.57 0.00 0.00 179.45 180.38 3koy h ILE 33 N 0.82 1.23 0.00 1.86 2.04 -0.88 -3.19 117.51 119.39 3koy h ILE 33 Ca 0.29 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3koy h ILE 33 Cb 0.07 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3koy h ILE 33 CO -0.13 0.29 -0.86 1.33 0.00 0.00 0.00 178.15 178.78 3koy n VAL 34 N -4.31 0.19 -0.24 1.67 0.24 -0.86 -4.19 118.33 110.82 3koy n VAL 34 Ca 0.06 -0.21 0.01 0.00 -2.04 0.00 0.00 64.34 62.16 3koy n VAL 34 Cb 0.17 0.16 0.13 0.00 -1.47 0.00 0.00 33.84 32.84 3koy n VAL 34 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3koy h ASP 35 N 0.00 0.47 0.41 -1.34 3.32 -1.12 0.28 116.42 118.44 3koy h ASP 35 Ca 0.00 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3koy h ASP 35 Cb 0.70 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3koy h ASP 35 CO 0.00 0.28 -0.20 -0.65 -1.72 0.00 0.00 179.24 176.95 3koy h PRO 36 N 0.61 0.00 0.16 3.56 0.11 -1.73 -2.49 132.00 132.22 3koy h PRO 36 Ca 0.34 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.16 3koy h PRO 36 Cb 0.34 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.47 3koy h PRO 36 CO -0.26 0.20 -1.32 -0.07 -0.21 0.00 0.00 178.00 176.34 3koy h LEU 37 N 0.00 0.53 -1.11 2.35 3.38 -1.38 -2.73 115.31 116.35 3koy h LEU 37 Ca -0.00 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 3koy h LEU 37 Cb 0.46 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3koy h LEU 37 CO 0.03 1.46 0.19 -0.07 0.09 0.00 0.00 178.44 180.13 3koy h LEU 38 N 0.09 0.75 -0.87 1.67 3.38 -0.86 -2.86 115.31 116.62 3koy h LEU 38 Ca -0.17 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3koy h LEU 38 Cb 2.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 3koy h LEU 38 CO 0.22 0.70 -0.13 -0.78 0.09 0.00 0.00 178.44 178.54 3koy h ASP 39 N 0.80 0.69 -0.58 -0.43 3.58 -1.37 -2.20 116.42 116.91 3koy h ASP 39 Ca 0.19 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 3koy h ASP 39 Cb 0.21 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 3koy h ASP 39 CO -0.01 0.84 0.26 -0.07 -2.88 0.00 0.00 179.24 177.38 3koy h LEU 40 N 0.64 0.81 -0.65 2.28 3.38 -1.26 -1.75 115.31 118.75 3koy h LEU 40 Ca 0.11 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3koy h LEU 40 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3koy h LEU 40 CO 0.04 0.72 -0.22 1.23 0.09 0.00 0.00 178.44 180.30 3koy h GLY 41 N 0.98 0.00 1.60 0.83 0.00 -1.35 -2.43 103.07 102.71 3koy h GLY 41 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.32 3koy h GLY 41 CO -0.02 0.00 -0.95 0.50 0.00 0.00 0.00 176.54 176.07 3koy h LYS 42 N 0.00 0.35 -0.01 4.80 1.57 -0.77 -3.36 116.57 119.15 3koy h LYS 42 Ca -0.00 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3koy h LYS 42 Cb 0.93 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3koy h LYS 42 CO 0.03 1.08 -0.42 1.63 -0.57 0.00 0.00 179.45 181.20 3koy n LYS 43 N -3.71 1.16 -4.07 3.15 5.02 -0.72 -5.00 118.16 113.99 3koy n LYS 43 Ca -0.06 -0.92 -0.09 0.00 -2.02 0.00 0.00 58.31 55.23 3koy n LYS 43 Cb 0.84 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.47 0.56 0.33 4.39 0.01 -0.92 -5.08 114.94 111.76 3koy s ASN 44 Ca 0.20 -0.83 0.03 0.00 -0.71 0.00 0.00 52.86 51.55 3koy s ASN 44 Cb 0.18 0.14 -0.05 0.00 0.41 0.00 0.00 41.25 41.94 3koy s ASN 44 CO 0.56 -0.47 0.09 0.28 -1.51 0.00 0.00 177.10 176.04 3koy s THR 45 N -3.03 0.88 0.10 1.60 -1.32 -1.26 -4.78 115.64 107.84 3koy s THR 45 Ca 0.00 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.45 3koy s THR 45 Cb 0.01 -2.65 -0.03 0.00 -1.51 0.00 0.00 72.50 68.33 3koy s THR 45 CO -0.06 0.00 0.08 0.42 -2.21 0.00 0.00 174.62 172.85 3koy s THR 46 N -3.39 0.14 0.24 5.08 -4.23 -1.26 -5.04 115.64 107.18 3koy s THR 46 Ca 0.34 -1.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.07 3koy s THR 46 Cb 0.07 -1.74 0.27 0.00 1.34 0.00 0.00 72.50 72.45 3koy s THR 46 CO 0.15 -0.64 1.63 -0.65 -0.54 0.00 0.00 174.62 174.57 3koy h PRO 47 N 2.89 0.07 -0.42 3.99 0.11 -2.00 -1.44 132.00 135.21 3koy h PRO 47 Ca -0.34 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.63 3koy h PRO 47 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3koy h PRO 47 CO 0.59 0.05 -0.27 1.03 -0.21 0.00 0.00 178.00 179.20 3koy h SER 48 N 0.08 0.91 -0.74 -2.05 0.87 -1.98 0.16 113.55 110.79 3koy h SER 48 Ca 0.39 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 3koy h SER 48 Cb 0.66 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3koy h SER 48 CO -0.67 1.12 0.22 0.40 -0.53 0.00 0.00 176.83 177.37 3koy h ILE 49 N 0.75 1.26 -0.28 2.23 2.04 -1.80 -1.74 117.51 119.97 3koy h ILE 49 Ca 0.09 -0.93 -0.18 0.00 1.00 0.00 0.00 64.86 64.83 3koy h ILE 49 Cb 0.82 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3koy h ILE 49 CO 0.07 0.37 -0.55 -0.33 0.00 0.00 0.00 178.15 177.70 3koy h GLU 50 N 1.11 0.84 -0.90 2.37 4.39 -0.87 -0.48 114.58 121.04 3koy h GLU 50 Ca 0.24 -0.54 0.06 0.00 0.34 0.00 0.00 59.36 59.46 3koy h GLU 50 Cb 0.33 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 3koy h GLU 50 CO -0.00 1.17 0.56 0.00 -1.16 0.00 0.00 179.01 179.58 3koy h ARG 51 N 0.64 0.99 -0.40 2.33 3.08 -0.62 -1.71 114.38 118.70 3koy h ARG 51 Ca 0.01 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3koy h ARG 51 Cb 1.16 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 3koy h ARG 51 CO 0.12 0.66 -0.17 0.66 -1.07 0.00 0.00 179.97 180.17 3koy h SER 52 N 1.02 0.76 -0.10 7.04 4.64 -1.01 0.17 113.55 126.07 3koy h SER 52 Ca 0.39 -0.25 0.03 0.00 -0.47 0.00 0.00 61.79 61.49 3koy h SER 52 Cb 0.18 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 3koy h SER 52 CO -0.18 0.93 -0.09 0.58 -0.87 0.00 0.00 176.83 177.21 3koy h VAL 53 N 0.68 0.75 -0.88 0.95 2.07 -0.39 -2.17 116.25 117.26 3koy h VAL 53 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 3koy h VAL 53 Cb 0.66 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3koy h VAL 53 CO 0.05 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 178.14 3koy h LEU 54 N -0.10 0.91 -1.57 2.57 3.38 -0.53 -1.76 115.31 118.21 3koy h LEU 54 Ca 0.07 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3koy h LEU 54 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3koy h LEU 54 CO -0.16 0.61 -0.23 -0.07 0.09 0.00 0.00 178.44 178.68 3koy h LEU 55 N 1.04 0.00 0.00 1.67 3.38 -0.18 -0.72 115.31 120.50 3koy h LEU 55 Ca 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 3koy h LEU 55 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3koy h LEU 55 CO -0.12 0.23 -0.53 0.03 0.09 0.00 0.00 178.44 178.13 3koy h ARG 56 N 0.00 0.00 -0.17 1.13 3.08 -0.78 -3.22 114.38 114.43 3koy h ARG 56 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3koy h ARG 56 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3koy h ARG 56 CO 0.03 0.09 0.00 -1.33 -1.07 0.00 0.00 179.97 177.69 3koy n MET 57 N -2.95 1.70 -0.95 0.04 2.81 -0.38 -4.91 117.12 112.48 3koy n MET 57 Ca 0.01 -1.06 0.00 0.00 -1.81 0.00 0.00 57.70 54.84 3koy n MET 57 Cb 0.59 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 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 1.11 0.76 3.99 3.03 0.00 -1.01 -4.91 105.19 108.16 3koy n GLY 58 Ca 0.16 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 2.97 0.37 1.61 0.08 -0.60 -5.04 117.98 115.38 3koy s PHE 59 Ca 0.00 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.89 3koy s PHE 59 Cb 0.00 -2.30 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 3koy s PHE 59 CO 0.00 -0.35 0.54 -1.54 -0.10 0.00 0.00 175.22 173.77 3koy s SER 60 N -4.28 5.95 0.27 1.36 1.04 -1.26 -4.42 113.70 112.36 3koy s SER 60 Ca 0.51 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.96 3koy s SER 60 Cb -0.10 -1.42 0.60 0.00 0.10 0.00 0.00 66.02 65.21 3koy s SER 60 CO 0.34 -0.50 1.66 0.77 0.98 0.00 0.00 173.24 176.49 3koy h SER 61 N 0.72 -0.00 -0.65 7.02 4.64 -1.97 0.46 113.55 123.77 3koy h SER 61 Ca -0.46 0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 3koy h SER 61 Cb 1.25 0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.55 3koy h SER 61 CO 0.55 -0.11 0.26 -0.07 -0.87 0.00 0.00 176.83 176.60 3koy h LEU 62 N 0.24 0.90 0.01 5.97 3.38 -2.00 -2.54 115.31 121.26 3koy h LEU 62 Ca 0.50 -0.17 -0.23 0.00 0.09 0.00 0.00 57.88 58.07 3koy h LEU 62 Cb 0.94 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3koy h LEU 62 CO -0.60 0.82 -1.13 -0.33 0.09 0.00 0.00 178.44 177.29 3koy h GLU 63 N 0.92 0.01 -0.05 1.13 5.08 -1.64 -2.62 114.58 117.41 3koy h GLU 63 Ca 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3koy h GLU 63 Cb 0.20 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3koy h GLU 63 CO -0.02 0.93 -0.02 0.00 -1.00 0.00 0.00 179.01 178.90 3koy h ALA 64 N 0.98 0.07 -0.69 3.43 0.00 -0.96 0.28 119.26 122.37 3koy h ALA 64 Ca -0.06 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.75 3koy h ALA 64 Cb 1.82 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 3koy h ALA 64 CO 0.12 -0.19 0.22 -0.22 0.00 0.00 0.00 179.25 179.18 3koy h LYS 65 N -0.28 0.34 -0.25 0.00 3.11 -1.45 0.42 116.57 118.46 3koy h LYS 65 Ca 0.01 -0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.70 3koy h LYS 65 Cb 0.45 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.61 3koy h LYS 65 CO 0.01 0.22 -0.35 0.00 -2.81 0.00 0.00 179.45 176.52 3koy h ALA 66 N 1.53 0.38 -0.54 5.00 0.00 -1.35 -0.97 119.26 123.30 3koy h ALA 66 Ca 0.38 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3koy h ALA 66 Cb 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3koy h ALA 66 CO -0.42 0.45 0.24 0.82 0.00 0.00 0.00 179.25 180.34 3koy h ILE 67 N 0.41 1.21 -0.17 0.00 2.04 0.53 -2.54 117.51 118.99 3koy h ILE 67 Ca 0.03 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 3koy h ILE 67 Cb 0.94 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3koy h ILE 67 CO 0.08 0.24 -0.29 0.58 0.00 0.00 0.00 178.15 178.77 3koy h VAL 68 N 0.73 1.35 -0.25 1.67 2.07 -0.21 -2.27 116.25 119.33 3koy h VAL 68 Ca 0.18 -1.53 0.06 0.00 0.82 0.00 0.00 66.70 66.24 3koy h VAL 68 Cb 0.16 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 3koy h VAL 68 CO -0.02 0.46 -0.33 0.44 0.02 0.00 0.00 177.57 178.14 3koy h ASP 69 N 0.13 -1.06 0.22 0.57 3.32 -1.16 0.17 116.42 118.60 3koy h ASP 69 Ca 0.01 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3koy h ASP 69 Cb 0.88 0.47 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 3koy h ASP 69 CO 0.07 -0.34 -0.02 0.11 -1.72 0.00 0.00 179.24 177.33 3koy h LYS 70 N -0.34 0.00 -0.04 3.56 1.57 -1.47 -0.93 116.57 118.93 3koy h LYS 70 Ca 0.13 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 3koy h LYS 70 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3koy h LYS 70 CO -0.44 0.02 -0.24 1.15 -0.57 0.00 0.00 179.45 179.37 3koy h THR 71 N 0.00 1.47 -0.82 -0.16 2.02 -0.15 -3.14 112.91 112.12 3koy h THR 71 Ca -0.00 -1.74 -0.03 0.00 0.77 0.00 0.00 66.41 65.41 3koy h THR 71 Cb 0.14 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.99 3koy h THR 71 CO 0.00 0.49 0.40 0.24 0.37 0.00 0.00 175.52 177.01 3koy h MET 72 N -0.34 1.19 -0.73 6.66 2.86 -0.20 0.20 114.93 124.57 3koy h MET 72 Ca -0.02 -0.18 0.11 0.00 -2.06 0.00 0.00 59.70 57.56 3koy h MET 72 Cb 0.92 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 3koy h MET 72 CO 0.05 0.92 0.48 -0.44 1.06 0.00 0.00 176.91 178.98 3koy h ASP 73 N 1.17 0.49 -0.38 1.22 3.32 -1.30 -1.96 116.42 118.99 3koy h ASP 73 Ca 0.28 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3koy h ASP 73 Cb 0.12 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3koy h ASP 73 CO -0.04 0.28 0.02 0.54 -1.72 0.00 0.00 179.24 178.33 3koy n ARG 74 N -4.49 3.33 -4.34 3.56 1.74 -0.53 -4.97 116.66 110.96 3koy n ARG 74 Ca 0.13 -2.96 -0.34 0.00 -0.77 0.00 0.00 57.85 53.90 3koy n ARG 74 Cb 0.40 -1.97 -0.08 0.00 -1.02 0.00 0.00 32.46 29.79 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 -0.29 -0.23 0.69 -0.13 0.00 -0.06 -4.83 105.19 100.35 3koy n GLY 75 Ca 0.26 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.41 2.73 -0.35 0.99 4.32 -0.69 -4.56 117.00 115.03 3koy n LEU 76 Ca -0.17 -1.57 0.11 0.00 -0.02 0.00 0.00 56.01 54.35 3koy n LEU 76 Cb 0.61 -0.17 0.30 0.00 -1.62 0.00 0.00 43.42 42.55 3koy n LEU 76 CO 0.87 0.62 1.21 0.24 -1.22 0.00 0.00 177.39 179.12 3koy h MET 77 N 2.61 0.81 -0.89 3.23 2.86 -1.88 0.11 114.93 121.78 3koy h MET 77 Ca 0.00 -0.05 0.37 0.00 -2.06 0.00 0.00 59.70 57.96 3koy h MET 77 Cb 0.70 -0.18 -0.16 0.00 0.06 0.00 0.00 31.60 32.02 3koy h MET 77 CO 0.00 0.54 0.48 0.41 1.06 0.00 0.00 176.91 179.39 3koy n GLY 78 N -1.35 -0.66 0.10 8.32 0.00 -1.26 -0.77 105.19 109.57 3koy n GLY 78 Ca 0.21 0.71 -0.01 0.00 0.00 0.00 0.00 46.02 46.93 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 -0.27 1.61 1.79 -1.13 -3.50 116.57 115.07 3koy h LYS 79 Ca 0.75 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.22 3koy h LYS 79 Cb 1.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 3koy h LYS 79 CO -0.67 0.51 0.00 0.41 -1.08 0.00 0.00 179.45 178.61 3koy n GLY 80 N 1.35 0.31 0.39 3.86 0.00 0.05 -4.49 105.19 106.66 3koy n GLY 80 Ca -0.05 -0.96 0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 2.00 0.24 4.61 0.00 -1.81 0.25 119.26 124.54 3koy h ALA 81 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3koy h ALA 81 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3koy h ALA 81 CO 0.00 -0.78 -0.12 0.78 0.00 0.00 0.00 179.25 179.14 3koy h GLY 82 N 0.00 -0.34 -0.57 0.00 0.00 -1.89 -2.87 103.07 97.41 3koy h GLY 82 Ca 0.16 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.73 3koy h GLY 82 CO -0.00 -0.12 -0.36 0.84 0.00 0.00 0.00 176.54 176.90 3koy h HIS 83 N -0.94 -1.00 -0.54 5.60 6.17 -0.79 -0.88 115.15 122.78 3koy h HIS 83 Ca -0.03 0.08 0.05 0.00 0.71 0.00 0.00 60.37 61.18 3koy h HIS 83 Cb 0.49 0.54 -0.08 0.00 2.52 0.00 0.00 27.41 30.88 3koy h HIS 83 CO 0.06 -0.39 -0.42 0.82 0.71 0.00 0.00 177.93 178.70 3koy h ILE 84 N -0.13 0.00 -0.72 6.26 1.08 -1.33 0.66 117.51 123.32 3koy h ILE 84 Ca 0.26 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.89 3koy h ILE 84 Cb 0.56 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.20 3koy h ILE 84 CO -0.76 0.00 0.10 0.58 -0.69 0.00 0.00 178.15 177.38 3koy h VAL 85 N -0.13 0.45 -0.06 1.67 2.07 -1.14 -1.67 116.25 117.45 3koy h VAL 85 Ca 0.09 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3koy h VAL 85 Cb 0.36 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3koy h VAL 85 CO -0.58 0.03 0.02 0.22 0.02 0.00 0.00 177.57 177.29 3koy h TYR 86 N 0.19 0.10 -0.25 1.57 3.20 0.20 -0.55 116.97 121.43 3koy h TYR 86 Ca 0.40 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.23 3koy h TYR 86 Cb 0.70 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3koy h TYR 86 CO -0.32 0.27 0.04 0.87 -1.64 0.00 0.00 178.16 177.37 3koy h LYS 87 N -0.09 0.42 -1.00 1.82 1.79 -0.68 -1.48 116.57 117.34 3koy h LYS 87 Ca 0.02 -0.11 0.13 0.00 -2.18 0.00 0.00 60.65 58.51 3koy h LYS 87 Cb 0.21 -0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 30.73 3koy h LYS 87 CO -0.00 0.54 0.62 0.82 -1.08 0.00 0.00 179.45 180.35 3koy h ILE 88 N 0.23 0.89 -0.06 1.86 1.08 -1.26 -0.95 117.51 119.29 3koy h ILE 88 Ca 0.08 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.22 3koy h ILE 88 Cb 0.33 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.92 3koy h ILE 88 CO 0.00 0.18 0.02 0.00 -0.69 0.00 0.00 178.15 177.66 3koy h ALA 89 N 1.55 0.06 0.00 1.87 0.00 -0.51 -2.87 119.26 119.36 3koy h ALA 89 Ca 0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3koy h ALA 89 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3koy h ALA 89 CO -0.28 -0.46 0.00 1.63 0.00 0.00 0.00 179.25 180.14 3koy n LYS 90 N -5.08 0.52 -0.03 0.00 5.02 -0.60 -2.48 118.16 115.51 3koy n LYS 90 Ca -0.06 0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.25 3koy n LYS 90 Cb 0.04 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.41 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 -1.23 0.66 0.00 1.97 -0.58 -0.46 -4.22 120.64 116.78 3koy n GLU 91 Ca 0.16 -0.05 0.05 0.00 -0.42 0.00 0.00 57.16 56.90 3koy n GLU 91 Cb 0.20 -1.58 0.04 0.00 -0.57 0.00 0.00 31.44 29.54 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 -2.57 0.61 -3.85 3.49 4.76 -1.10 -5.00 118.16 114.51 3koy n LYS 92 Ca -0.16 -1.13 -0.26 0.00 -2.87 0.00 0.00 58.31 53.89 3koy n LYS 92 Cb 0.84 -1.20 0.02 0.00 -1.84 0.00 0.00 35.03 32.85 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 0.57 -2.68 -4.76 4.39 2.85 -1.03 -5.02 115.26 109.58 3koy n ASN 93 Ca 0.06 -0.83 -0.24 0.00 -0.11 0.00 0.00 54.58 53.46 3koy n ASN 93 Cb 0.27 -3.81 -0.07 0.00 1.24 0.00 0.00 39.78 37.42 3koy n ASN 93 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3koy s ILE 94 N -3.53 2.45 0.73 -1.44 -4.36 -1.04 -5.07 121.20 108.94 3koy s ILE 94 Ca 0.31 -1.65 -0.11 0.00 -0.26 0.00 0.00 60.65 58.95 3koy s ILE 94 Cb -0.16 -2.99 0.03 0.00 1.25 0.00 0.00 42.46 40.59 3koy s ILE 94 CO 0.83 -0.03 1.07 -0.94 0.24 0.00 0.00 174.94 176.12 3koy s SER 95 N -3.93 5.06 0.25 4.36 1.04 -1.26 -4.59 113.70 114.62 3koy s SER 95 Ca 0.42 1.55 -0.05 0.00 0.48 0.00 0.00 55.95 58.35 3koy s SER 95 Cb 0.02 -2.38 0.48 0.00 0.10 0.00 0.00 66.02 64.24 3koy s SER 95 CO 0.23 -1.64 1.66 0.58 0.98 0.00 0.00 173.24 175.05 3koy h VAL 96 N -0.86 0.41 -0.00 5.02 2.07 -1.92 -2.18 116.25 118.79 3koy h VAL 96 Ca -0.45 -0.06 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 3koy h VAL 96 Cb 1.23 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3koy h VAL 96 CO 0.57 0.03 -0.67 -0.09 0.02 0.00 0.00 177.57 177.43 3koy h ARG 97 N 0.18 0.00 -0.62 1.57 2.43 -1.92 -2.15 114.38 113.87 3koy h ARG 97 Ca 0.43 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.51 3koy h ARG 97 Cb 0.76 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3koy h ARG 97 CO -0.60 0.68 0.06 0.93 -1.51 0.00 0.00 179.97 179.53 3koy h GLU 98 N 0.00 1.03 -0.22 0.20 5.08 -1.78 -2.06 114.58 116.83 3koy h GLU 98 Ca -0.01 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 3koy h GLU 98 Cb 1.19 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3koy h GLU 98 CO 0.09 0.97 -0.26 0.00 -1.00 0.00 0.00 179.01 178.81 3koy h ALA 99 N 1.10 0.33 -0.27 3.43 0.00 -0.98 0.39 119.26 123.25 3koy h ALA 99 Ca 0.19 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 3koy h ALA 99 Cb 0.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3koy h ALA 99 CO 0.02 0.32 -0.52 0.78 0.00 0.00 0.00 179.25 179.85 3koy h GLY 100 N 0.27 0.86 1.09 0.00 0.00 -1.48 -0.54 103.07 103.26 3koy h GLY 100 Ca 0.03 -0.98 -0.12 0.00 0.00 0.00 0.00 47.33 46.26 3koy h GLY 100 CO 0.06 0.88 -0.16 -2.00 0.00 0.00 0.00 176.54 175.33 3koy h LEU 101 N 0.61 1.01 0.53 3.11 7.12 -1.21 0.52 115.31 127.01 3koy h LEU 101 Ca 0.02 -0.37 -0.02 0.00 0.13 0.00 0.00 57.88 57.63 3koy h LEU 101 Cb 1.11 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 40.96 3koy h LEU 101 CO 0.11 1.15 -0.35 0.00 -0.13 0.00 0.00 178.44 179.23 3koy h ALA 102 N 0.89 -1.14 -1.04 1.25 0.00 -0.24 -3.08 119.26 115.89 3koy h ALA 102 Ca 0.12 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.13 3koy h ALA 102 Cb 0.73 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 3koy h ALA 102 CO 0.06 -1.12 0.65 -0.07 0.00 0.00 0.00 179.25 178.76 3koy h LEU 103 N -0.83 0.53 -1.08 0.00 3.38 -0.75 0.70 115.31 117.26 3koy h LEU 103 Ca -0.07 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3koy h LEU 103 Cb 0.67 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3koy h LEU 103 CO 0.06 0.06 0.00 0.77 0.09 0.00 0.00 178.44 179.42 3koy h SER 104 N 0.44 0.00 -0.36 -0.43 4.64 0.13 -2.68 113.55 115.29 3koy h SER 104 Ca 0.64 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.85 3koy h SER 104 Cb 1.48 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.50 3koy h SER 104 CO -0.39 0.00 0.02 -0.62 -0.87 0.00 0.00 176.83 174.97 3koy n GLU 105 N -2.31 2.48 -0.50 4.77 1.02 0.24 -4.76 120.64 121.59 3koy n GLU 105 Ca 0.01 -3.00 0.00 0.00 -0.02 0.00 0.00 57.16 54.14 3koy n GLU 105 Cb 0.15 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 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 -0.78 1.41 3.87 0.62 0.00 -1.01 -5.02 105.19 104.27 3koy n GLY 106 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.22 3.84 -0.53 1.61 1.02 -1.19 -4.32 119.74 119.96 3koy s LYS 107 Ca 0.00 0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.33 3koy s LYS 107 Cb 0.00 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 3koy s LYS 107 CO 0.00 0.33 0.00 0.66 -0.92 0.00 0.00 175.35 175.42 3koy n TYR 108 N 0.01 0.00 0.39 3.18 4.01 -1.26 -3.61 117.16 119.88 3koy n TYR 108 Ca -0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 3koy n TYR 108 Cb 0.52 -1.46 0.36 0.00 -0.31 0.00 0.00 39.34 38.45 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 0.08 -0.72 4.06 -1.94 -2.20 115.95 115.23 3koy h TRP 109 Ca -0.10 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.52 3koy h TRP 109 Cb 0.58 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 3koy h TRP 109 CO 0.30 0.00 -1.80 -0.44 -3.56 0.00 0.00 178.44 172.94 3koy h ASP 110 N 0.00 0.28 0.10 -3.49 3.32 -1.92 -0.65 116.42 114.06 3koy h ASP 110 Ca 0.00 -0.56 -0.03 0.00 0.02 0.00 0.00 57.03 56.46 3koy h ASP 110 Cb 0.78 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 3koy h ASP 110 CO 0.00 1.49 -0.11 0.44 -1.72 0.00 0.00 179.24 179.34 3koy h ASP 111 N 0.05 0.03 0.07 6.45 5.19 -1.98 -2.99 116.42 123.24 3koy h ASP 111 Ca -0.34 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.07 3koy h ASP 111 Cb 2.03 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.53 3koy h ASP 111 CO 0.10 0.15 -0.03 0.00 -3.12 0.00 0.00 179.24 176.34 3koy h ALA 112 N 1.86 -0.09 0.00 3.45 0.00 -1.25 -2.90 119.26 120.33 3koy h ALA 112 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3koy h ALA 112 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3koy h ALA 112 CO 0.02 -0.36 0.00 -0.89 0.00 0.00 0.00 179.25 178.01 3koy n ILE 113 N -4.96 0.00 -1.63 0.00 5.41 -0.26 -5.09 119.36 112.83 3koy n ILE 113 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 3koy n ILE 113 Cb 0.21 -0.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 3koy n ILE 113 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22