#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kow h PHE 7 N 0.00 0.00 0.00 -0.67 3.57 -2.05 -3.29 116.94 114.51 3kow h PHE 7 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kow h PHE 7 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3kow h PHE 7 CO 0.00 0.41 -0.00 1.96 -2.23 0.00 0.00 178.31 178.45 3kow h GLN 8 N 0.00 -0.01 -0.49 1.11 1.08 -2.06 -2.71 115.11 112.04 3kow h GLN 8 Ca -0.04 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.26 3kow h GLN 8 Cb 1.35 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.68 3kow h GLN 8 CO 0.05 0.86 -0.21 0.37 -0.95 0.00 0.00 178.83 178.96 3kow h GLN 9 N -0.92 -0.10 -0.26 1.46 4.15 -2.03 -2.63 115.11 114.78 3kow h GLN 9 Ca -0.00 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 3kow h GLN 9 Cb 0.87 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 3kow h GLN 9 CO 0.00 -0.06 -0.23 0.00 -1.93 0.00 0.00 178.83 176.61 3kow h ARG 10 N -0.10 0.48 -0.00 1.69 3.08 -1.67 -3.13 114.38 114.72 3kow h ARG 10 Ca 0.23 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3kow h ARG 10 Cb 0.46 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3kow h ARG 10 CO -0.55 0.68 -0.11 2.89 -1.07 0.00 0.00 179.97 181.81 3kow n ARG 11 N -4.13 0.48 -0.33 0.04 1.85 -1.01 -4.28 116.66 109.27 3kow n ARG 11 Ca -0.00 -0.14 0.11 0.00 -1.00 0.00 0.00 57.85 56.82 3kow n ARG 11 Cb 0.39 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.60 3kow n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kow h ALA 12 N 3.44 1.52 0.00 2.89 0.00 -1.45 -1.36 119.26 124.30 3kow h ALA 12 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kow h ALA 12 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kow h ALA 12 CO 0.00 -0.11 0.00 1.12 0.00 0.00 0.00 179.25 180.26 3kow h HIS 13 N 0.66 0.00 0.00 0.00 2.07 -1.84 -2.73 115.15 113.30 3kow h HIS 13 Ca 0.54 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.89 3kow h HIS 13 Cb 0.86 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.81 3kow h HIS 13 CO -0.05 0.00 -1.18 -0.07 -3.07 0.00 0.00 177.93 173.56 3kow h LEU 14 N 0.00 0.00 -0.61 6.12 3.38 -1.56 -3.40 115.31 119.24 3kow h LEU 14 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3kow h LEU 14 Cb 0.40 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 3kow h LEU 14 CO 0.00 0.68 -0.08 0.00 0.09 0.00 0.00 178.44 179.13 3kow n ALA 15 N -2.37 0.22 0.83 1.53 0.00 -1.03 -1.09 120.51 118.60 3kow n ALA 15 Ca -0.07 0.66 0.06 0.00 0.00 0.00 0.00 53.44 54.10 3kow n ALA 15 Cb 0.86 -0.44 0.16 0.00 0.00 0.00 0.00 19.45 20.04 3kow n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kow n ASN 16 N -4.90 1.96 -4.74 0.00 5.03 -1.26 -4.89 115.26 106.47 3kow n ASN 16 Ca 0.12 -2.00 -0.37 0.00 0.87 0.00 0.00 54.58 53.20 3kow n ASN 16 Cb 0.38 -0.25 -0.07 0.00 -1.02 0.00 0.00 39.78 38.82 3kow n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kow s LEU 17 N -1.00 4.26 0.93 3.41 1.43 -0.25 -5.06 118.68 122.39 3kow s LEU 17 Ca 0.24 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 53.79 3kow s LEU 17 Cb 0.13 -2.40 0.15 0.00 0.03 0.00 0.00 46.19 44.10 3kow s LEU 17 CO 0.17 0.11 1.15 -1.54 0.23 0.00 0.00 176.35 176.46 3kow n SER 18 N 3.47 0.29 -0.18 2.29 3.41 -1.26 -4.65 113.62 116.99 3kow n SER 18 Ca -0.12 0.41 -0.00 0.00 -0.26 0.00 0.00 58.87 58.90 3kow n SER 18 Cb 0.52 -1.48 0.08 0.00 -0.26 0.00 0.00 64.21 63.08 3kow n SER 18 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kow h ASP 19 N -1.92 -0.20 -0.37 4.04 3.32 -1.98 0.43 116.42 119.73 3kow h ASP 19 Ca -0.43 0.13 0.06 0.00 0.02 0.00 0.00 57.03 56.81 3kow h ASP 19 Cb 1.27 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.99 3kow h ASP 19 CO 0.41 -0.08 0.05 -0.33 -1.72 0.00 0.00 179.24 177.58 3kow h GLU 20 N 0.14 0.16 -0.48 3.56 3.07 -1.99 0.11 114.58 119.15 3kow h GLU 20 Ca 0.29 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.12 3kow h GLU 20 Cb 0.45 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 3kow h GLU 20 CO -0.46 0.11 0.20 0.93 -1.40 0.00 0.00 179.01 178.39 3kow h GLU 21 N 0.17 0.70 -0.54 2.33 5.08 -1.73 -2.15 114.58 118.43 3kow h GLU 21 Ca 0.18 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 3kow h GLU 21 Cb 0.22 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3kow h GLU 21 CO -0.26 0.62 0.37 1.25 -1.00 0.00 0.00 179.01 179.99 3kow h LEU 22 N 0.63 0.32 0.00 1.33 5.85 0.39 -1.43 115.31 122.40 3kow h LEU 22 Ca 0.16 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 3kow h LEU 22 Cb 0.17 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3kow h LEU 22 CO -0.02 0.19 -1.42 0.00 -0.34 0.00 0.00 178.44 176.86 3kow n GLN 23 N -4.47 0.62 -0.08 1.25 10.64 -0.11 -2.60 117.38 122.64 3kow n GLN 23 Ca 0.09 0.16 -0.13 0.00 -1.83 0.00 0.00 57.00 55.28 3kow n GLN 23 Cb 0.36 -1.78 -0.01 0.00 -0.86 0.00 0.00 30.24 27.95 3kow n GLN 23 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3kow h THR 24 N 0.00 1.28 -0.37 -0.39 2.02 -1.01 -1.76 112.91 112.68 3kow h THR 24 Ca -0.14 -1.66 -0.02 0.00 0.77 0.00 0.00 66.41 65.36 3kow h THR 24 Cb 1.45 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 3kow h THR 24 CO 0.03 0.54 0.14 -0.09 0.37 0.00 0.00 175.52 176.52 3kow h ARG 25 N 0.67 0.56 -0.07 6.66 2.43 -1.34 0.67 114.38 123.96 3kow h ARG 25 Ca 0.03 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3kow h ARG 25 Cb 1.07 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 3kow h ARG 25 CO 0.11 0.54 -0.13 0.35 -1.51 0.00 0.00 179.97 179.34 3kow h PHE 26 N 0.45 -0.32 -0.23 2.20 3.57 -1.46 -0.15 116.94 121.00 3kow h PHE 26 Ca 0.12 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3kow h PHE 26 Cb 0.20 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3kow h PHE 26 CO 0.00 -0.19 -0.17 -1.49 -2.23 0.00 0.00 178.31 174.23 3kow h TRP 27 N -0.18 0.43 0.05 0.41 4.06 -1.08 -2.35 115.95 117.29 3kow h TRP 27 Ca 0.07 -0.07 -0.24 0.00 2.06 0.00 0.00 58.89 60.70 3kow h TRP 27 Cb 0.28 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 3kow h TRP 27 CO -0.22 0.56 -1.19 1.05 -3.56 0.00 0.00 178.44 175.08 3kow h GLU 28 N 0.37 0.10 0.00 0.49 4.11 -0.54 -1.62 114.58 117.49 3kow h GLU 28 Ca 0.07 -0.17 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 3kow h GLU 28 Cb 0.52 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3kow h GLU 28 CO 0.03 1.02 -0.11 0.52 0.07 0.00 0.00 179.01 180.54 3kow h MET 29 N 0.03 0.00 -0.08 1.06 2.86 -1.02 -0.80 114.93 116.98 3kow h MET 29 Ca -0.09 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.34 3kow h MET 29 Cb 1.87 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.54 3kow h MET 29 CO 0.15 0.11 -0.75 0.00 1.06 0.00 0.00 176.91 177.48 3kow h ALA 30 N 1.89 0.20 -0.54 6.32 0.00 -1.18 -2.12 119.26 123.82 3kow h ALA 30 Ca -0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 3kow h ALA 30 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kow h ALA 30 CO 0.01 0.56 0.13 1.49 0.00 0.00 0.00 179.25 181.44 3kow h GLU 31 N 0.30 0.84 0.28 0.00 4.81 -0.84 -2.41 114.58 117.55 3kow h GLU 31 Ca -0.07 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3kow h GLU 31 Cb 1.40 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 3kow h GLU 31 CO 0.15 0.75 -0.47 0.87 -0.73 0.00 0.00 179.01 179.59 3kow h LYS 32 N 0.81 -0.78 -1.01 1.92 1.57 -1.13 -2.46 116.57 115.49 3kow h LYS 32 Ca 0.18 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3kow h LYS 32 Cb 0.30 0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 3kow h LYS 32 CO -0.00 -0.52 0.66 0.82 -0.57 0.00 0.00 179.45 179.84 3kow h ILE 33 N -0.81 1.20 0.00 1.86 2.04 -0.95 -2.35 117.51 118.50 3kow h ILE 33 Ca -0.02 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3kow h ILE 33 Cb 0.77 -0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3kow h ILE 33 CO -0.17 0.24 -0.25 1.33 0.00 0.00 0.00 178.15 179.30 3kow n VAL 34 N -4.42 0.28 0.00 1.67 0.24 -0.95 -4.28 118.33 110.87 3kow n VAL 34 Ca 0.13 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.34 62.17 3kow n VAL 34 Cb 0.07 -0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 32.10 3kow n VAL 34 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3kow h ASP 35 N 0.00 -0.26 -0.70 -1.34 3.32 -0.92 -1.69 116.42 114.83 3kow h ASP 35 Ca 0.00 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.24 3kow h ASP 35 Cb 0.64 0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.23 3kow h ASP 35 CO 0.00 -0.11 0.24 -0.65 -1.72 0.00 0.00 179.24 176.99 3kow h PRO 36 N -0.10 0.36 0.42 3.56 0.11 -1.74 -2.54 132.00 132.08 3kow h PRO 36 Ca 0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 3kow h PRO 36 Cb 0.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3kow h PRO 36 CO -0.16 0.24 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.60 3kow h LEU 37 N 0.38 -0.48 -0.95 2.35 3.38 -1.58 -1.41 115.31 117.00 3kow h LEU 37 Ca 0.38 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.60 3kow h LEU 37 Cb 0.57 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.32 3kow h LEU 37 CO -0.41 -0.33 0.50 -0.07 0.09 0.00 0.00 178.44 178.22 3kow h LEU 38 N -0.57 0.51 -0.73 1.67 3.38 -1.27 -0.14 115.31 118.16 3kow h LEU 38 Ca -0.06 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3kow h LEU 38 Cb 0.44 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3kow h LEU 38 CO 0.09 0.04 0.39 -0.78 0.09 0.00 0.00 178.44 178.28 3kow h ASP 39 N 0.48 0.56 -0.62 -0.43 1.82 -0.83 -1.80 116.42 115.60 3kow h ASP 39 Ca 0.61 0.04 0.07 0.00 -0.39 0.00 0.00 57.03 57.36 3kow h ASP 39 Cb 1.17 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 41.06 3kow h ASP 39 CO -0.51 0.34 0.31 -0.07 -1.61 0.00 0.00 179.24 177.70 3kow h LEU 40 N 0.69 0.43 -1.62 2.28 3.38 -0.51 -1.61 115.31 118.36 3kow h LEU 40 Ca 0.34 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 3kow h LEU 40 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kow h LEU 40 CO -0.23 0.27 0.05 1.23 0.09 0.00 0.00 178.44 179.86 3kow h GLY 41 N 0.57 0.32 0.79 0.83 0.00 -1.14 -2.62 103.07 101.82 3kow h GLY 41 Ca 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3kow h GLY 41 CO -0.21 0.14 0.00 0.50 0.00 0.00 0.00 176.54 176.97 3kow h LYS 42 N 0.30 0.26 0.00 4.80 1.57 -1.09 -3.36 116.57 119.05 3kow h LYS 42 Ca 0.07 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kow h LYS 42 Cb 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kow h LYS 42 CO -0.00 0.48 -0.78 0.87 -0.57 0.00 0.00 179.45 179.44 3kow h LYS 43 N 0.00 0.00 -5.52 3.15 1.57 -1.38 -3.48 116.57 110.91 3kow h LYS 43 Ca 0.04 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.22 3kow h LYS 43 Cb 0.36 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.54 3kow h LYS 43 CO 0.01 0.00 -0.59 -0.80 -0.57 0.00 0.00 179.45 177.50 3kow s ASN 44 N -4.79 3.61 0.23 0.86 0.01 -1.00 -5.13 114.94 108.74 3kow s ASN 44 Ca 0.03 -1.41 -0.00 0.00 -0.71 0.00 0.00 52.86 50.77 3kow s ASN 44 Cb 0.11 -0.23 -0.03 0.00 0.41 0.00 0.00 41.25 41.51 3kow s ASN 44 CO 0.75 -0.53 0.19 0.28 -1.51 0.00 0.00 177.10 176.29 3kow s THR 45 N -2.84 0.00 0.19 1.60 -1.32 -1.26 -4.85 115.64 107.15 3kow s THR 45 Ca 0.32 -1.95 -0.03 0.00 -1.21 0.00 0.00 61.69 58.83 3kow s THR 45 Cb 0.09 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 3kow s THR 45 CO 0.16 0.00 0.16 0.42 -2.21 0.00 0.00 174.62 173.15 3kow s THR 46 N -4.00 0.03 0.31 5.08 -4.23 -1.26 -5.03 115.64 106.53 3kow s THR 46 Ca 0.38 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3kow s THR 46 Cb 0.05 -2.34 0.29 0.00 1.34 0.00 0.00 72.50 71.84 3kow s THR 46 CO 0.15 -0.11 1.89 -0.65 -0.54 0.00 0.00 174.62 175.36 3kow h PRO 47 N 2.63 0.94 -0.32 3.99 0.11 -1.98 -1.69 132.00 135.68 3kow h PRO 47 Ca -0.35 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 3kow h PRO 47 Cb 1.24 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3kow h PRO 47 CO 0.52 0.62 -0.23 0.66 -0.21 0.00 0.00 178.00 179.37 3kow h SER 48 N 0.97 0.63 -0.01 -2.05 4.64 -1.99 0.14 113.55 115.88 3kow h SER 48 Ca 0.41 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3kow h SER 48 Cb 0.33 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3kow h SER 48 CO -0.17 0.85 -0.00 0.40 -0.87 0.00 0.00 176.83 177.03 3kow h ILE 49 N 0.55 1.31 -0.00 0.95 2.04 -1.91 -2.33 117.51 118.12 3kow h ILE 49 Ca 0.08 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3kow h ILE 49 Cb 0.69 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3kow h ILE 49 CO 0.05 0.24 0.00 -0.33 0.00 0.00 0.00 178.15 178.11 3kow h GLU 50 N -0.38 0.00 0.08 2.37 4.39 -1.06 -1.51 114.58 118.47 3kow h GLU 50 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 3kow h GLU 50 Cb 0.40 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3kow h GLU 50 CO 0.00 0.00 -1.17 0.00 -1.16 0.00 0.00 179.01 176.68 3kow h ARG 51 N 0.00 0.62 -0.32 2.33 3.08 -0.69 -3.11 114.38 116.29 3kow h ARG 51 Ca 0.00 -0.77 -0.06 0.00 0.07 0.00 0.00 59.98 59.22 3kow h ARG 51 Cb 0.00 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3kow h ARG 51 CO -0.00 1.34 -0.06 0.66 -1.07 0.00 0.00 179.97 180.83 3kow h SER 52 N 0.30 0.50 -0.11 7.04 4.64 -0.81 0.39 113.55 125.49 3kow h SER 52 Ca -0.16 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3kow h SER 52 Cb 1.83 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.78 3kow h SER 52 CO 0.22 0.61 0.00 0.58 -0.87 0.00 0.00 176.83 177.38 3kow h VAL 53 N 0.49 0.93 -0.63 0.95 2.07 -1.37 -0.87 116.25 117.82 3kow h VAL 53 Ca 0.10 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 3kow h VAL 53 Cb 0.42 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3kow h VAL 53 CO 0.02 0.01 0.18 -0.07 0.02 0.00 0.00 177.57 177.73 3kow h LEU 54 N 0.04 0.93 -0.91 2.57 3.38 -1.41 -1.74 115.31 118.17 3kow h LEU 54 Ca 0.05 -0.22 0.14 0.00 0.09 0.00 0.00 57.88 57.94 3kow h LEU 54 Cb 0.06 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 3kow h LEU 54 CO -0.09 0.90 0.53 -0.07 0.09 0.00 0.00 178.44 179.80 3kow h LEU 55 N 0.91 0.70 -0.29 1.67 3.38 -0.79 0.19 115.31 121.09 3kow h LEU 55 Ca 0.20 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3kow h LEU 55 Cb 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kow h LEU 55 CO -0.00 0.33 0.00 0.54 0.09 0.00 0.00 178.44 179.40 3kow n ARG 56 N -4.76 0.16 -0.10 1.13 1.74 -0.34 -2.69 116.66 111.79 3kow n ARG 56 Ca 0.18 0.28 0.11 0.00 -0.77 0.00 0.00 57.85 57.65 3kow n ARG 56 Cb 0.41 -1.74 0.32 0.00 -1.02 0.00 0.00 32.46 30.43 3kow n ARG 56 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kow n MET 57 N -2.03 2.00 -0.15 5.56 2.81 0.65 -4.92 117.12 121.04 3kow n MET 57 Ca 0.04 -1.50 0.00 0.00 -1.81 0.00 0.00 57.70 54.43 3kow n MET 57 Cb 0.29 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3kow n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kow n GLY 58 N 1.26 0.91 3.92 3.03 0.00 -1.09 -4.88 105.19 108.34 3kow n GLY 58 Ca 0.17 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3kow n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kow s PHE 59 N -2.00 3.49 0.97 1.61 0.08 -1.04 -5.05 117.98 116.04 3kow s PHE 59 Ca 0.00 0.40 -0.11 0.00 0.12 0.00 0.00 56.93 57.33 3kow s PHE 59 Cb 0.00 -1.89 0.17 0.00 -0.57 0.00 0.00 43.02 40.74 3kow s PHE 59 CO 0.00 0.43 1.09 -1.54 -0.10 0.00 0.00 175.22 175.10 3kow s SER 60 N -2.81 2.67 0.48 1.36 1.04 -1.26 -4.45 113.70 110.72 3kow s SER 60 Ca 0.39 1.67 0.27 0.00 0.48 0.00 0.00 55.95 58.76 3kow s SER 60 Cb -0.12 -2.31 1.11 0.00 0.10 0.00 0.00 66.02 64.80 3kow s SER 60 CO 0.27 -3.17 1.90 0.77 0.98 0.00 0.00 173.24 173.99 3kow h SER 61 N -1.92 0.00 0.01 7.02 4.64 -1.98 -1.55 113.55 119.78 3kow h SER 61 Ca -0.51 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 3kow h SER 61 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3kow h SER 61 CO 0.50 0.15 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.47 3kow h LEU 62 N 0.00 0.04 -0.21 5.97 3.38 -2.00 -2.99 115.31 119.50 3kow h LEU 62 Ca -0.00 -0.96 0.05 0.00 0.09 0.00 0.00 57.88 57.06 3kow h LEU 62 Cb 0.63 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3kow h LEU 62 CO 0.02 1.00 -0.07 -0.33 0.09 0.00 0.00 178.44 179.15 3kow h GLU 63 N -0.90 -0.03 -0.90 1.13 5.08 -1.93 -2.35 114.58 114.69 3kow h GLU 63 Ca -0.01 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.50 3kow h GLU 63 Cb 1.02 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.20 3kow h GLU 63 CO 0.01 -0.02 0.58 0.00 -1.00 0.00 0.00 179.01 178.58 3kow h ALA 64 N 1.18 1.84 0.72 3.43 0.00 -1.40 -2.21 119.26 122.82 3kow h ALA 64 Ca 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3kow h ALA 64 Cb 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kow h ALA 64 CO -0.24 -0.09 -0.35 -0.22 0.00 0.00 0.00 179.25 178.36 3kow h LYS 65 N 0.69 -0.93 0.09 0.00 3.64 -1.27 -2.49 116.57 116.30 3kow h LYS 65 Ca 0.46 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.92 3kow h LYS 65 Cb 0.75 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 3kow h LYS 65 CO -0.21 -0.60 -0.27 0.00 -2.27 0.00 0.00 179.45 176.10 3kow h ALA 66 N -0.87 -0.43 -0.50 5.00 0.00 -1.15 0.12 119.26 121.43 3kow h ALA 66 Ca -0.10 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3kow h ALA 66 Cb 0.76 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 3kow h ALA 66 CO 0.16 -0.80 -0.17 0.82 0.00 0.00 0.00 179.25 179.27 3kow h ILE 67 N -0.46 0.42 -0.13 0.00 2.04 -1.49 0.37 117.51 118.27 3kow h ILE 67 Ca 0.04 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 3kow h ILE 67 Cb 0.50 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3kow h ILE 67 CO -0.17 0.00 -0.29 0.58 0.00 0.00 0.00 178.15 178.27 3kow h VAL 68 N -0.05 1.26 -0.10 1.67 2.07 -1.01 0.46 116.25 120.54 3kow h VAL 68 Ca 0.24 -1.22 -0.15 0.00 0.82 0.00 0.00 66.70 66.38 3kow h VAL 68 Cb 0.42 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3kow h VAL 68 CO -0.54 0.37 -0.60 0.44 0.02 0.00 0.00 177.57 177.26 3kow h ASP 69 N 0.22 0.40 1.78 0.57 3.32 0.76 -2.39 116.42 121.07 3kow h ASP 69 Ca 0.03 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3kow h ASP 69 Cb 0.64 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3kow h ASP 69 CO 0.05 0.90 0.00 0.11 -1.72 0.00 0.00 179.24 178.58 3kow h LYS 70 N 0.26 0.00 0.07 3.56 1.57 0.18 -3.07 116.57 119.13 3kow h LYS 70 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 3kow h LYS 70 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 3kow h LYS 70 CO 0.10 0.00 -1.09 1.15 -0.57 0.00 0.00 179.45 179.03 3kow h THR 71 N 0.00 1.51 0.07 -0.16 2.02 -0.76 -3.25 112.91 112.34 3kow h THR 71 Ca 0.00 -2.91 -0.22 0.00 0.77 0.00 0.00 66.41 64.05 3kow h THR 71 Cb 0.89 2.75 0.02 0.00 -1.74 0.00 0.00 68.15 70.08 3kow h THR 71 CO 0.00 0.85 -0.90 0.24 0.37 0.00 0.00 175.52 176.08 3kow h MET 72 N 0.10 0.49 -0.92 6.66 2.86 -1.52 -0.35 114.93 122.26 3kow h MET 72 Ca -0.09 -0.62 0.22 0.00 -2.06 0.00 0.00 59.70 57.14 3kow h MET 72 Cb 1.79 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 33.58 3kow h MET 72 CO 0.18 1.25 0.61 -0.44 1.06 0.00 0.00 176.91 179.56 3kow h ASP 73 N 0.02 0.38 -0.40 1.22 3.32 -1.65 -2.26 116.42 117.05 3kow h ASP 73 Ca -0.13 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3kow h ASP 73 Cb 1.62 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.14 3kow h ASP 73 CO 0.17 0.14 0.00 0.54 -1.72 0.00 0.00 179.24 178.37 3kow n ARG 74 N -4.50 3.79 -2.68 3.56 1.74 -1.22 -4.98 116.66 112.37 3kow n ARG 74 Ca 0.20 -2.99 -0.19 0.00 -0.77 0.00 0.00 57.85 54.10 3kow n ARG 74 Cb 0.74 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3kow n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kow n GLY 75 N -0.02 -0.50 0.10 -0.13 0.00 -0.85 -4.88 105.19 98.90 3kow n GLY 75 Ca 0.24 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.40 3kow n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kow n LEU 76 N -3.30 1.10 -0.32 0.99 4.32 -0.15 -4.61 117.00 115.02 3kow n LEU 76 Ca -0.16 -0.56 0.28 0.00 -0.02 0.00 0.00 56.01 55.55 3kow n LEU 76 Cb 0.64 0.00 0.53 0.00 -1.62 0.00 0.00 43.42 42.96 3kow n LEU 76 CO 0.33 0.25 1.06 0.24 -1.22 0.00 0.00 177.39 178.04 3kow h MET 77 N 0.47 0.10 0.00 3.23 2.86 -1.89 0.16 114.93 119.86 3kow h MET 77 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3kow h MET 77 Cb 0.49 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3kow h MET 77 CO 0.00 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.45 3kow n GLY 78 N -1.29 -0.80 0.12 8.32 0.00 -1.26 -2.74 105.19 107.54 3kow n GLY 78 Ca 0.35 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 3kow n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kow n LYS 79 N -0.92 0.68 0.00 1.61 4.76 0.57 -5.06 118.16 119.80 3kow n LYS 79 Ca 0.16 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 3kow n LYS 79 Cb 0.07 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 3kow n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kow n GLY 80 N 1.94 2.33 0.33 0.72 0.00 -1.11 -4.64 105.19 104.75 3kow n GLY 80 Ca -0.34 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 44.94 3kow n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow h ALA 81 N 0.00 1.53 -0.05 4.61 0.00 -1.84 0.53 119.26 124.03 3kow h ALA 81 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kow h ALA 81 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kow h ALA 81 CO 0.00 -0.17 0.02 0.78 0.00 0.00 0.00 179.25 179.88 3kow h GLY 82 N 0.61 0.08 -0.39 0.00 0.00 -1.92 -2.93 103.07 98.52 3kow h GLY 82 Ca 0.55 -0.04 0.17 0.00 0.00 0.00 0.00 47.33 48.01 3kow h GLY 82 CO -0.43 0.04 -0.04 0.84 0.00 0.00 0.00 176.54 176.96 3kow h HIS 83 N -0.08 -0.13 -0.84 5.60 6.17 -1.22 -1.72 115.15 122.94 3kow h HIS 83 Ca 0.02 0.06 0.08 0.00 0.71 0.00 0.00 60.37 61.24 3kow h HIS 83 Cb 0.16 0.17 -0.07 0.00 2.52 0.00 0.00 27.41 30.20 3kow h HIS 83 CO -0.02 -0.26 0.50 0.82 0.71 0.00 0.00 177.93 179.68 3kow h ILE 84 N 0.08 0.95 0.00 6.26 1.08 -1.00 -0.85 117.51 124.03 3kow h ILE 84 Ca 0.40 -0.29 -0.09 0.00 -0.39 0.00 0.00 64.86 64.48 3kow h ILE 84 Cb 0.69 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 3kow h ILE 84 CO -0.69 0.16 -0.45 0.58 -0.69 0.00 0.00 178.15 177.06 3kow h VAL 85 N 0.85 1.18 0.16 1.67 2.07 -1.22 -2.15 116.25 118.81 3kow h VAL 85 Ca 0.39 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3kow h VAL 85 Cb 0.30 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3kow h VAL 85 CO -0.22 0.44 -0.08 0.22 0.02 0.00 0.00 177.57 177.95 3kow h TYR 86 N 0.00 -0.20 -0.91 1.57 3.20 -0.41 -1.87 116.97 118.35 3kow h TYR 86 Ca -0.00 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.05 3kow h TYR 86 Cb 0.87 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 39.13 3kow h TYR 86 CO 0.00 -0.12 0.59 0.87 -1.64 0.00 0.00 178.16 177.86 3kow h LYS 87 N -0.37 0.51 -0.68 1.82 1.79 -1.30 0.26 116.57 118.60 3kow h LYS 87 Ca -0.02 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 3kow h LYS 87 Cb 0.16 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 3kow h LYS 87 CO 0.04 0.34 0.14 0.82 -1.08 0.00 0.00 179.45 179.70 3kow h ILE 88 N 0.52 1.26 0.00 1.86 1.08 -1.46 0.24 117.51 121.02 3kow h ILE 88 Ca 0.48 -1.01 -0.02 0.00 -0.39 0.00 0.00 64.86 63.92 3kow h ILE 88 Cb 1.02 0.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 3kow h ILE 88 CO -0.21 0.38 -0.10 0.00 -0.69 0.00 0.00 178.15 177.53 3kow h ALA 89 N 1.06 1.15 0.03 1.87 0.00 -0.10 -3.01 119.26 120.26 3kow h ALA 89 Ca 0.21 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 3kow h ALA 89 Cb 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3kow h ALA 89 CO 0.01 0.13 -1.47 1.63 0.00 0.00 0.00 179.25 179.54 3kow n LYS 90 N -3.42 0.61 0.00 0.00 5.02 -0.72 -0.91 118.16 118.74 3kow n LYS 90 Ca -0.01 0.49 0.03 0.00 -2.02 0.00 0.00 58.31 56.80 3kow n LYS 90 Cb 0.27 -1.73 0.16 0.00 -0.02 0.00 0.00 35.03 33.70 3kow n LYS 90 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kow n GLU 91 N -4.19 0.20 0.00 1.97 -0.58 0.79 -1.76 120.64 117.07 3kow n GLU 91 Ca -0.33 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 3kow n GLU 91 Cb 0.78 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 3kow n GLU 91 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kow n LYS 92 N -0.91 0.22 -3.52 3.49 4.76 -1.14 -5.05 118.16 116.01 3kow n LYS 92 Ca 0.04 -0.13 -0.20 0.00 -2.87 0.00 0.00 58.31 55.15 3kow n LYS 92 Cb 0.02 -0.56 0.02 0.00 -1.84 0.00 0.00 35.03 32.67 3kow n LYS 92 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kow n ASN 93 N -0.07 -5.97 -4.26 4.39 5.03 -0.72 -5.04 115.26 108.63 3kow n ASN 93 Ca 0.00 -0.71 -0.14 0.00 0.87 0.00 0.00 54.58 54.60 3kow n ASN 93 Cb 0.13 -3.46 -0.10 0.00 -1.02 0.00 0.00 39.78 35.33 3kow n ASN 93 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3kow s ILE 94 N -3.17 0.38 0.47 2.41 -4.36 -0.09 -5.04 121.20 111.81 3kow s ILE 94 Ca 0.18 -1.99 -0.21 0.00 -0.26 0.00 0.00 60.65 58.38 3kow s ILE 94 Cb -0.06 -2.47 -0.08 0.00 1.25 0.00 0.00 42.46 41.09 3kow s ILE 94 CO 0.84 -0.11 1.05 -0.94 0.24 0.00 0.00 174.94 176.01 3kow s SER 95 N -3.23 6.39 0.32 4.36 1.04 -1.26 -4.53 113.70 116.79 3kow s SER 95 Ca 0.35 1.97 0.08 0.00 0.48 0.00 0.00 55.95 58.83 3kow s SER 95 Cb 0.07 -2.57 0.79 0.00 0.10 0.00 0.00 66.02 64.41 3kow s SER 95 CO 0.11 -0.75 1.80 0.58 0.98 0.00 0.00 173.24 175.96 3kow h VAL 96 N 1.67 0.72 -0.76 5.02 2.07 -1.89 0.18 116.25 123.26 3kow h VAL 96 Ca -0.49 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 66.87 3kow h VAL 96 Cb 1.22 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 3kow h VAL 96 CO 0.60 0.13 0.50 -0.09 0.02 0.00 0.00 177.57 178.73 3kow h ARG 97 N 0.72 0.69 0.02 1.57 9.65 -1.91 -2.45 114.38 122.67 3kow h ARG 97 Ca 0.55 -0.04 -0.29 0.00 -1.10 0.00 0.00 59.98 59.10 3kow h ARG 97 Cb 0.91 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.29 3kow h ARG 97 CO -0.33 0.46 -1.66 0.93 2.80 0.00 0.00 179.97 182.17 3kow h GLU 98 N 0.71 0.04 0.15 0.20 5.08 -1.07 -3.03 114.58 116.66 3kow h GLU 98 Ca 0.34 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3kow h GLU 98 Cb 0.41 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kow h GLU 98 CO -0.13 0.66 -0.07 0.00 -1.00 0.00 0.00 179.01 178.47 3kow h ALA 99 N 0.87 -0.20 -0.26 3.43 0.00 -1.03 -1.25 119.26 120.81 3kow h ALA 99 Ca -0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kow h ALA 99 Cb 1.99 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 3kow h ALA 99 CO 0.09 -0.59 0.13 0.78 0.00 0.00 0.00 179.25 179.66 3kow h GLY 100 N -0.23 0.40 0.59 0.00 0.00 -1.57 0.15 103.07 102.40 3kow h GLY 100 Ca -0.02 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.16 3kow h GLY 100 CO 0.03 0.18 -0.01 -2.00 0.00 0.00 0.00 176.54 174.74 3kow h LEU 101 N 0.29 -0.12 -0.13 3.11 5.85 -1.46 0.78 115.31 123.63 3kow h LEU 101 Ca 0.09 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3kow h LEU 101 Cb 0.10 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3kow h LEU 101 CO -0.01 -0.03 -0.12 0.00 -0.34 0.00 0.00 178.44 177.94 3kow h ALA 102 N 1.22 -0.03 -0.37 1.25 0.00 -0.91 -1.96 119.26 118.47 3kow h ALA 102 Ca 0.12 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3kow h ALA 102 Cb 0.16 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3kow h ALA 102 CO -0.21 -0.57 -0.12 -0.07 0.00 0.00 0.00 179.25 178.28 3kow h LEU 103 N -0.14 -0.43 -1.94 0.00 3.38 0.65 -1.70 115.31 115.13 3kow h LEU 103 Ca 0.09 0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.39 3kow h LEU 103 Cb 0.27 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3kow h LEU 103 CO -0.21 -0.15 0.62 0.77 0.09 0.00 0.00 178.44 179.55 3kow h SER 104 N -0.04 0.00 0.34 -0.43 4.64 0.13 0.16 113.55 118.34 3kow h SER 104 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3kow h SER 104 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3kow h SER 104 CO -0.40 0.00 -0.72 -0.62 -0.87 0.00 0.00 176.83 174.21 3kow n GLU 105 N -4.00 0.04 0.00 4.77 1.02 -0.67 -4.71 120.64 117.08 3kow n GLU 105 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3kow n GLU 105 Cb 0.89 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 3kow n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kow n GLY 106 N 1.48 1.41 3.60 0.62 0.00 0.55 -5.11 105.19 107.74 3kow n GLY 106 Ca 0.05 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3kow n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kow n LYS 107 N 0.00 -0.04 -0.97 1.61 5.02 -1.12 -3.71 118.16 118.95 3kow n LYS 107 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3kow n LYS 107 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 3kow n LYS 107 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kow n TYR 108 N -3.44 0.00 -0.04 2.13 4.01 -1.26 -4.07 117.16 114.49 3kow n TYR 108 Ca 0.11 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.69 3kow n TYR 108 Cb 0.51 -1.13 -0.07 0.00 -0.31 0.00 0.00 39.34 38.34 3kow n TYR 108 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3kow h TRP 109 N 0.00 1.03 -0.51 -0.72 4.06 -1.95 0.30 115.95 118.16 3kow h TRP 109 Ca 0.00 -0.44 0.08 0.00 2.06 0.00 0.00 58.89 60.59 3kow h TRP 109 Cb 0.52 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.45 3kow h TRP 109 CO 0.33 1.26 0.16 -0.44 -3.56 0.00 0.00 178.44 176.19 3kow h ASP 110 N 0.51 0.12 -0.45 -3.49 3.45 -1.89 0.55 116.42 115.23 3kow h ASP 110 Ca -0.04 0.07 0.09 0.00 0.43 0.00 0.00 57.03 57.58 3kow h ASP 110 Cb 1.32 0.08 -0.08 0.00 -0.56 0.00 0.00 39.33 40.09 3kow h ASP 110 CO 0.15 0.09 -0.09 0.44 -1.57 0.00 0.00 179.24 178.26 3kow h ASP 111 N 0.32 -0.36 -0.18 6.45 3.32 -1.90 -3.05 116.42 121.01 3kow h ASP 111 Ca 0.25 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.47 3kow h ASP 111 Cb 0.30 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3kow h ASP 111 CO -0.28 -0.13 -0.07 0.00 -1.72 0.00 0.00 179.24 177.04 3kow h ALA 112 N 1.44 0.08 -0.43 3.45 0.00 0.37 -1.49 119.26 122.68 3kow h ALA 112 Ca 0.22 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.28 3kow h ALA 112 Cb 0.33 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kow h ALA 112 CO -0.44 -0.51 0.29 0.82 0.00 0.00 0.00 179.25 179.42 3kow h ILE 113 N -0.05 0.90 -0.01 0.00 2.04 -0.17 -3.51 117.51 116.73 3kow h ILE 113 Ca 0.09 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3kow h ILE 113 Cb 0.19 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3kow h ILE 113 CO -0.21 0.04 0.00 0.00 0.00 0.00 0.00 178.15 177.98