#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 -2.71 116.94 115.08 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 0.45 0.00 1.96 -2.23 0.00 0.00 178.31 178.49 3kow h GLN 8 N 0.00 0.00 0.00 1.11 1.08 -2.07 -2.91 115.11 112.32 3kow h GLN 8 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kow h GLN 8 Cb 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3kow h GLN 8 CO 0.06 0.00 -0.34 1.96 -0.95 0.00 0.00 178.83 179.56 3kow h GLN 9 N 0.00 0.00 -1.50 1.46 4.20 -2.01 -3.38 115.11 113.87 3kow h GLN 9 Ca 0.00 0.00 0.44 0.00 0.06 0.00 0.00 58.65 59.15 3kow h GLN 9 Cb 0.58 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.30 3kow h GLN 9 CO 0.00 0.00 1.08 0.00 -0.67 0.00 0.00 178.83 179.24 3kow h ARG 10 N -0.92 0.01 -0.09 1.46 3.08 -1.53 -0.38 114.38 116.01 3kow h ARG 10 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kow h ARG 10 Cb 0.34 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3kow h ARG 10 CO 0.00 0.00 0.00 2.89 -1.07 0.00 0.00 179.97 181.79 3kow n ARG 11 N -4.10 1.28 -0.15 0.04 1.85 -1.10 -4.33 116.66 110.16 3kow n ARG 11 Ca 0.33 -0.43 -0.12 0.00 -1.00 0.00 0.00 57.85 56.64 3kow n ARG 11 Cb 1.55 -1.25 -0.07 0.00 -1.05 0.00 0.00 32.46 31.64 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 3.58 -0.59 0.00 2.89 0.00 -1.27 0.08 119.26 123.94 3kow h ALA 12 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kow h ALA 12 Cb 0.18 1.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kow h ALA 12 CO 0.00 -0.96 0.00 -2.39 0.00 0.00 0.00 179.25 175.90 3kow n HIS 13 N -5.39 0.00 -0.02 0.00 1.44 -1.26 -2.73 115.22 107.25 3kow n HIS 13 Ca -0.02 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.72 3kow n HIS 13 Cb 0.35 -0.03 -0.08 0.00 0.12 0.00 0.00 29.99 30.36 3kow n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kow n LEU 14 N -1.03 0.00 0.00 2.39 4.77 -0.12 -4.62 117.00 118.40 3kow n LEU 14 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3kow n LEU 14 Cb 0.07 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3kow n LEU 14 CO 0.11 0.06 0.24 0.00 -1.33 0.00 0.00 177.39 176.47 3kow n ALA 15 N -1.98 1.12 0.00 -1.18 0.00 -0.42 -2.40 120.51 115.64 3kow n ALA 15 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3kow n ALA 15 Cb 0.41 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.96 2.00 -4.77 0.00 3.02 -1.26 -5.04 115.26 108.25 3kow n ASN 16 Ca 0.00 -0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 53.93 3kow n ASN 16 Cb 0.02 0.84 -0.01 0.00 -0.61 0.00 0.00 39.78 40.02 3kow n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kow s LEU 17 N -2.09 4.30 1.35 3.41 1.43 -1.01 -5.01 118.68 121.07 3kow s LEU 17 Ca 0.00 2.76 -0.20 0.00 -1.03 0.00 0.00 54.13 55.65 3kow s LEU 17 Cb 0.00 -3.77 0.34 0.00 0.03 0.00 0.00 46.19 42.79 3kow s LEU 17 CO 0.00 -0.76 0.96 -0.94 0.23 0.00 0.00 176.35 175.84 3kow s SER 18 N -0.52 -0.47 0.14 2.29 1.04 -1.26 -4.72 113.70 110.19 3kow s SER 18 Ca 0.53 0.98 -0.09 0.00 0.48 0.00 0.00 55.95 57.86 3kow s SER 18 Cb -0.41 -1.44 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 3kow s SER 18 CO 0.53 -5.02 1.42 0.44 0.98 0.00 0.00 173.24 171.59 3kow h ASP 19 N -3.19 0.87 -0.68 7.02 5.19 -1.99 -1.21 116.42 122.43 3kow h ASP 19 Ca -0.48 -0.49 -0.03 0.00 -0.62 0.00 0.00 57.03 55.42 3kow h ASP 19 Cb 1.34 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 3kow h ASP 19 CO 0.34 1.26 0.32 -0.33 -3.12 0.00 0.00 179.24 177.72 3kow h GLU 20 N 0.58 0.98 -0.54 3.56 3.07 -2.00 -2.72 114.58 117.51 3kow h GLU 20 Ca 0.00 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.36 58.63 3kow h GLU 20 Cb 1.19 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 3kow h GLU 20 CO 0.12 0.78 0.02 0.93 -1.40 0.00 0.00 179.01 179.46 3kow h GLU 21 N 0.95 0.94 -0.17 2.33 5.08 -1.85 -2.84 114.58 119.02 3kow h GLU 21 Ca 0.23 -0.29 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 3kow h GLU 21 Cb 0.12 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3kow h GLU 21 CO -0.03 0.94 -0.60 1.25 -1.00 0.00 0.00 179.01 179.57 3kow h LEU 22 N 0.81 0.65 -0.80 1.33 5.85 -1.19 -2.01 115.31 119.95 3kow h LEU 22 Ca 0.15 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.60 3kow h LEU 22 Cb 0.51 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 3kow h LEU 22 CO 0.02 1.10 0.46 -0.61 -0.34 0.00 0.00 178.44 179.07 3kow h GLN 23 N 0.43 0.76 0.17 1.25 4.15 -1.46 -1.84 115.11 118.58 3kow h GLN 23 Ca -0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3kow h GLN 23 Cb 1.17 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.69 3kow h GLN 23 CO 0.11 0.50 -0.08 1.15 -1.93 0.00 0.00 178.83 178.58 3kow h THR 24 N 0.78 0.94 -0.85 2.39 2.02 -1.18 -2.38 112.91 114.64 3kow h THR 24 Ca 0.38 -0.59 0.13 0.00 0.77 0.00 0.00 66.41 67.10 3kow h THR 24 Cb 0.33 1.29 -0.09 0.00 -1.74 0.00 0.00 68.15 67.94 3kow h THR 24 CO -0.24 0.14 0.45 -0.09 0.37 0.00 0.00 175.52 176.15 3kow h ARG 25 N -0.53 0.66 -0.27 6.66 2.43 -1.23 0.15 114.38 122.26 3kow h ARG 25 Ca -0.02 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3kow h ARG 25 Cb 0.40 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3kow h ARG 25 CO 0.04 0.44 0.02 0.35 -1.51 0.00 0.00 179.97 179.30 3kow h PHE 26 N 0.68 0.02 0.00 2.20 3.57 -1.32 -2.48 116.94 119.61 3kow h PHE 26 Ca 0.45 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.88 3kow h PHE 26 Cb 0.57 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3kow h PHE 26 CO -0.08 -0.02 -0.41 -1.49 -2.23 0.00 0.00 178.31 174.08 3kow h TRP 27 N 0.10 0.00 0.27 0.41 4.06 -0.52 -2.94 115.95 117.33 3kow h TRP 27 Ca 0.13 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.06 3kow h TRP 27 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 3kow h TRP 27 CO -0.19 0.41 -0.13 1.49 -3.56 0.00 0.00 178.44 176.46 3kow h GLU 28 N 0.00 -0.34 0.00 0.49 4.57 -0.58 -2.35 114.58 116.36 3kow h GLU 28 Ca -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3kow h GLU 28 Cb 1.06 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3kow h GLU 28 CO 0.05 -0.12 0.00 -1.33 -1.18 0.00 0.00 179.01 176.44 3kow n MET 29 N -5.17 0.19 0.06 1.92 2.81 -0.95 -1.61 117.12 114.36 3kow n MET 29 Ca -0.10 0.06 -0.21 0.00 -1.81 0.00 0.00 57.70 55.65 3kow n MET 29 Cb 0.21 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.08 3kow n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kow h ALA 30 N 3.03 -0.04 -0.35 3.04 0.00 -1.39 -2.77 119.26 120.77 3kow h ALA 30 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 54.91 54.14 3kow h ALA 30 Cb 0.32 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3kow h ALA 30 CO 0.00 0.54 0.09 0.93 0.00 0.00 0.00 179.25 180.81 3kow h GLU 31 N -0.26 0.21 -0.37 0.00 5.08 -1.02 -1.64 114.58 116.58 3kow h GLU 31 Ca -0.20 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3kow h GLU 31 Cb 1.77 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.90 3kow h GLU 31 CO 0.15 0.14 -0.12 0.87 -1.00 0.00 0.00 179.01 179.06 3kow h LYS 32 N 0.22 -0.03 -0.60 2.33 1.57 -1.41 -0.28 116.57 118.37 3kow h LYS 32 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3kow h LYS 32 Cb 0.17 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3kow h LYS 32 CO -0.20 -0.02 0.37 0.82 -0.57 0.00 0.00 179.45 179.85 3kow h ILE 33 N -0.03 1.17 0.00 1.86 2.04 -1.16 -3.08 117.51 118.31 3kow h ILE 33 Ca 0.18 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3kow h ILE 33 Cb 0.31 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3kow h ILE 33 CO -0.40 0.18 -0.58 -0.37 0.00 0.00 0.00 178.15 176.98 3kow h VAL 34 N 0.82 0.00 -0.49 1.67 -1.51 -1.13 -3.38 116.25 112.22 3kow h VAL 34 Ca 0.22 -0.75 0.07 0.00 -1.23 0.00 0.00 66.70 65.01 3kow h VAL 34 Cb -0.03 1.42 -0.06 0.00 -2.13 0.00 0.00 31.29 30.48 3kow h VAL 34 CO -0.04 0.00 0.18 0.44 -1.23 0.00 0.00 177.57 176.91 3kow h ASP 35 N 0.00 0.18 -0.45 4.19 3.32 -0.95 0.35 116.42 123.05 3kow h ASP 35 Ca 0.00 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.18 3kow h ASP 35 Cb 0.87 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.40 3kow h ASP 35 CO 0.00 0.13 0.08 -0.65 -1.72 0.00 0.00 179.24 177.08 3kow h PRO 36 N 0.35 0.20 -0.64 3.56 0.11 -1.74 -1.76 132.00 132.09 3kow h PRO 36 Ca 0.24 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.38 3kow h PRO 36 Cb 0.25 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 3kow h PRO 36 CO -0.24 0.13 0.42 -0.07 -0.21 0.00 0.00 178.00 178.04 3kow h LEU 37 N 0.21 0.63 0.25 2.35 3.38 -1.24 -2.11 115.31 118.78 3kow h LEU 37 Ca 0.23 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3kow h LEU 37 Cb 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kow h LEU 37 CO -0.30 0.43 -0.12 -0.07 0.09 0.00 0.00 178.44 178.46 3kow h LEU 38 N 0.73 -0.29 -0.96 1.67 3.38 -0.32 -2.83 115.31 116.69 3kow h LEU 38 Ca 0.26 -0.16 0.31 0.00 0.09 0.00 0.00 57.88 58.38 3kow h LEU 38 Cb 0.13 0.07 -0.18 0.00 0.09 0.00 0.00 40.66 40.78 3kow h LEU 38 CO -0.08 0.01 0.18 0.47 0.09 0.00 0.00 178.44 179.11 3kow n ASP 39 N -5.13 0.03 -0.23 -0.43 9.92 -0.73 0.97 116.55 120.96 3kow n ASP 39 Ca -0.09 1.62 -0.05 0.00 -0.53 0.00 0.00 54.79 55.73 3kow n ASP 39 Cb 0.23 -0.65 0.05 0.00 -0.64 0.00 0.00 41.12 40.11 3kow n ASP 39 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3kow h LEU 40 N 0.00 0.74 -1.09 0.64 3.38 -1.34 -2.34 115.31 115.30 3kow h LEU 40 Ca 0.66 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.61 3kow h LEU 40 Cb 1.51 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3kow h LEU 40 CO -0.85 0.53 0.00 1.23 0.09 0.00 0.00 178.44 179.44 3kow h GLY 41 N 0.88 0.00 1.23 0.83 0.00 0.86 -2.56 103.07 104.31 3kow h GLY 41 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.25 3kow h GLY 41 CO -0.06 0.00 -1.52 0.50 0.00 0.00 0.00 176.54 175.45 3kow h LYS 42 N 0.00 0.46 -0.11 4.80 1.57 -0.88 -3.39 116.57 119.00 3kow h LYS 42 Ca 0.00 -0.78 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 3kow h LYS 42 Cb 0.55 0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3kow h LYS 42 CO 0.00 1.37 0.00 1.63 -0.57 0.00 0.00 179.45 181.88 3kow n LYS 43 N -3.65 2.27 -4.17 3.15 5.02 -0.92 -4.98 118.16 114.87 3kow n LYS 43 Ca -0.18 -1.86 -0.16 0.00 -2.02 0.00 0.00 58.31 54.09 3kow n LYS 43 Cb 1.09 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 3kow n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kow s ASN 44 N -1.87 1.11 0.31 4.39 0.01 -1.09 -5.08 114.94 112.72 3kow s ASN 44 Ca 0.32 -1.56 -0.14 0.00 -0.71 0.00 0.00 52.86 50.76 3kow s ASN 44 Cb 0.21 0.60 0.02 0.00 0.41 0.00 0.00 41.25 42.48 3kow s ASN 44 CO 0.31 -1.17 0.62 0.28 -1.51 0.00 0.00 177.10 175.63 3kow s THR 45 N -3.31 0.00 0.15 1.60 -1.32 -1.26 -4.86 115.64 106.64 3kow s THR 45 Ca 0.35 -1.23 -0.08 0.00 -1.21 0.00 0.00 61.69 59.52 3kow s THR 45 Cb 0.01 -2.39 -0.01 0.00 -1.51 0.00 0.00 72.50 68.60 3kow s THR 45 CO 0.22 0.00 0.25 0.42 -2.21 0.00 0.00 174.62 173.30 3kow s THR 46 N -3.40 0.08 0.31 5.08 -4.23 -1.26 -5.04 115.64 107.17 3kow s THR 46 Ca 0.19 -1.42 0.06 0.00 -1.18 0.00 0.00 61.69 59.34 3kow s THR 46 Cb -0.03 -1.81 0.30 0.00 1.34 0.00 0.00 72.50 72.30 3kow s THR 46 CO 0.11 -0.35 1.79 -0.65 -0.54 0.00 0.00 174.62 174.98 3kow h PRO 47 N 2.60 0.75 -0.04 3.99 0.11 -2.00 -2.11 132.00 135.29 3kow h PRO 47 Ca -0.32 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 65.50 3kow h PRO 47 Cb 1.22 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 32.18 3kow h PRO 47 CO 0.50 0.49 -0.95 0.66 -0.21 0.00 0.00 178.00 178.50 3kow h SER 48 N 0.77 0.83 -0.64 -2.05 4.64 -1.99 -0.54 113.55 114.56 3kow h SER 48 Ca 0.56 -0.63 0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3kow h SER 48 Cb 0.87 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 3kow h SER 48 CO -0.35 1.43 0.40 0.40 -0.87 0.00 0.00 176.83 177.83 3kow h ILE 49 N 0.40 1.08 -0.08 0.95 2.04 -1.84 -1.42 117.51 118.63 3kow h ILE 49 Ca -0.10 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3kow h ILE 49 Cb 1.59 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3kow h ILE 49 CO 0.18 0.14 0.02 -0.33 0.00 0.00 0.00 178.15 178.17 3kow h GLU 50 N 0.78 0.13 -0.96 2.37 4.39 -1.14 -1.88 114.58 118.27 3kow h GLU 50 Ca 0.26 -0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.12 3kow h GLU 50 Cb 0.03 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.57 3kow h GLU 50 CO -0.11 0.30 0.61 0.00 -1.16 0.00 0.00 179.01 178.65 3kow h ARG 51 N -0.07 0.63 0.00 2.33 3.08 -0.91 0.18 114.38 119.62 3kow h ARG 51 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kow h ARG 51 Cb 0.23 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3kow h ARG 51 CO -0.00 0.42 0.00 -1.13 -1.07 0.00 0.00 179.97 178.19 3kow n SER 52 N -4.64 0.71 -0.00 7.04 3.41 -0.55 0.55 113.62 120.14 3kow n SER 52 Ca 0.21 0.63 -0.22 0.00 -0.26 0.00 0.00 58.87 59.23 3kow n SER 52 Cb 0.60 -0.80 -0.14 0.00 -0.26 0.00 0.00 64.21 63.61 3kow n SER 52 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kow h VAL 53 N 0.00 0.67 -0.54 -3.33 2.07 -0.28 -2.76 116.25 112.07 3kow h VAL 53 Ca 0.00 -2.33 0.06 0.00 0.82 0.00 0.00 66.70 65.25 3kow h VAL 53 Cb 0.52 2.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 3kow h VAL 53 CO 0.00 0.85 0.25 -0.07 0.02 0.00 0.00 177.57 178.61 3kow h LEU 54 N -0.03 0.32 0.14 2.57 3.38 -0.30 -2.71 115.31 118.67 3kow h LEU 54 Ca -0.41 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3kow h LEU 54 Cb 1.97 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 3kow h LEU 54 CO 0.06 0.21 -0.28 -0.07 0.09 0.00 0.00 178.44 178.46 3kow h LEU 55 N 0.47 -0.83 -0.91 1.67 3.38 0.02 -1.39 115.31 117.72 3kow h LEU 55 Ca 0.25 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3kow h LEU 55 Cb 0.22 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kow h LEU 55 CO -0.21 -0.32 0.68 0.03 0.09 0.00 0.00 178.44 178.71 3kow h ARG 56 N -0.46 0.00 -0.27 1.13 3.08 -1.43 0.19 114.38 116.63 3kow h ARG 56 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kow h ARG 56 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3kow h ARG 56 CO -0.11 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.46 3kow n MET 57 N -2.65 2.04 -0.43 0.04 2.81 -0.53 -4.90 117.12 113.50 3kow n MET 57 Ca -0.01 -1.56 0.00 0.00 -1.81 0.00 0.00 57.70 54.32 3kow n MET 57 Cb 0.70 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 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 1.27 1.62 3.51 3.03 0.00 0.67 -4.86 105.19 110.42 3kow n GLY 58 Ca 0.17 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3kow n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kow n PHE 59 N -1.57 -1.38 -4.32 1.61 3.72 -1.16 -5.00 117.46 109.35 3kow n PHE 59 Ca 0.00 -2.04 -0.32 0.00 -0.05 0.00 0.00 57.45 55.05 3kow n PHE 59 Cb 0.11 -0.45 -0.09 0.00 -0.94 0.00 0.00 39.48 38.10 3kow n PHE 59 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kow s SER 60 N -4.08 4.80 0.11 4.37 1.04 -1.26 -4.69 113.70 113.98 3kow s SER 60 Ca 0.40 -0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.61 3kow s SER 60 Cb -0.03 -1.14 0.12 0.00 0.10 0.00 0.00 66.02 65.07 3kow s SER 60 CO 0.25 0.25 0.69 -1.54 0.98 0.00 0.00 173.24 173.87 3kow n SER 61 N 1.22 -0.27 0.16 7.02 3.41 -1.26 0.05 113.62 123.94 3kow n SER 61 Ca -0.14 0.78 -0.16 0.00 -0.26 0.00 0.00 58.87 59.09 3kow n SER 61 Cb 0.52 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 3kow n SER 61 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kow h LEU 62 N 0.00 -1.36 0.08 1.04 3.38 -2.00 0.11 115.31 116.57 3kow h LEU 62 Ca 0.16 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3kow h LEU 62 Cb 0.27 0.49 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3kow h LEU 62 CO -0.44 -0.55 -0.09 -0.33 0.09 0.00 0.00 178.44 177.12 3kow h GLU 63 N -0.76 -0.17 -0.85 1.13 5.08 -0.88 -2.85 114.58 115.28 3kow h GLU 63 Ca -0.00 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 58.71 3kow h GLU 63 Cb 0.74 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.88 3kow h GLU 63 CO -0.21 -0.11 0.43 0.00 -1.00 0.00 0.00 179.01 178.11 3kow n ALA 64 N -2.35 0.84 0.19 3.43 0.00 0.11 -0.31 120.51 122.42 3kow n ALA 64 Ca -0.02 0.87 -0.14 0.00 0.00 0.00 0.00 53.44 54.14 3kow n ALA 64 Cb 0.08 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 3kow n ALA 64 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kow h LYS 65 N 0.00 -0.57 -0.11 0.00 3.64 -0.54 -1.73 116.57 117.26 3kow h LYS 65 Ca 0.71 0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.93 3kow h LYS 65 Cb 1.85 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 3kow h LYS 65 CO -0.66 -0.38 -0.74 0.00 -2.27 0.00 0.00 179.45 175.40 3kow h ALA 66 N 0.01 0.50 -0.51 5.00 0.00 -0.56 0.35 119.26 124.05 3kow h ALA 66 Ca -0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3kow h ALA 66 Cb 0.54 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kow h ALA 66 CO -0.05 0.73 0.29 0.82 0.00 0.00 0.00 179.25 181.04 3kow h ILE 67 N 0.38 1.15 0.16 0.00 2.04 -1.40 -0.70 117.51 119.14 3kow h ILE 67 Ca -0.04 -0.36 -0.31 0.00 1.00 0.00 0.00 64.86 65.15 3kow h ILE 67 Cb 1.33 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3kow h ILE 67 CO 0.14 0.16 -1.49 0.58 0.00 0.00 0.00 178.15 177.54 3kow h VAL 68 N 0.70 1.23 -0.25 1.67 2.07 -0.95 -2.93 116.25 117.80 3kow h VAL 68 Ca 0.18 -2.80 0.03 0.00 0.82 0.00 0.00 66.70 64.94 3kow h VAL 68 Cb -0.00 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 3kow h VAL 68 CO -0.03 0.84 0.05 0.44 0.02 0.00 0.00 177.57 178.89 3kow h ASP 69 N 0.09 0.02 0.07 0.57 5.19 -0.17 -2.27 116.42 119.92 3kow h ASP 69 Ca -0.24 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.18 3kow h ASP 69 Cb 2.06 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.61 3kow h ASP 69 CO 0.20 0.05 -0.11 0.11 -3.12 0.00 0.00 179.24 176.36 3kow h LYS 70 N 0.15 0.10 -0.35 3.56 1.57 -1.23 -2.11 116.57 118.26 3kow h LYS 70 Ca 0.11 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.71 3kow h LYS 70 Cb 0.11 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kow h LYS 70 CO -0.14 0.22 -0.41 1.15 -0.57 0.00 0.00 179.45 179.70 3kow h THR 71 N 0.10 1.28 -0.61 -0.16 2.02 -1.25 -2.92 112.91 111.37 3kow h THR 71 Ca 0.02 -1.58 -0.04 0.00 0.77 0.00 0.00 66.41 65.58 3kow h THR 71 Cb 0.27 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3kow h THR 71 CO 0.02 0.52 0.22 0.24 0.37 0.00 0.00 175.52 176.89 3kow h MET 72 N 0.70 0.92 0.00 6.66 2.86 -1.04 -0.84 114.93 124.18 3kow h MET 72 Ca 0.05 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3kow h MET 72 Cb 1.00 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.52 3kow h MET 72 CO 0.10 0.80 0.00 -0.44 1.06 0.00 0.00 176.91 178.43 3kow h ASP 73 N 0.85 0.00 -0.02 1.22 3.32 -1.28 -2.35 116.42 118.17 3kow h ASP 73 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kow h ASP 73 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3kow h ASP 73 CO -0.01 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.05 3kow n ARG 74 N -2.89 0.51 -3.05 3.56 1.74 -1.04 -5.01 116.66 110.48 3kow n ARG 74 Ca -0.01 -1.15 -0.13 0.00 -0.77 0.00 0.00 57.85 55.79 3kow n ARG 74 Cb 0.15 -1.20 0.05 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.59 0.02 0.26 -0.13 0.00 -0.70 -4.96 105.19 100.27 3kow n GLY 75 Ca 0.06 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.09 1.35 -0.34 0.99 7.99 -0.41 -4.65 117.00 118.84 3kow n LEU 76 Ca -0.06 -0.85 0.21 0.00 -0.01 0.00 0.00 56.01 55.29 3kow n LEU 76 Cb 0.56 0.00 0.43 0.00 -0.11 0.00 0.00 43.42 44.30 3kow n LEU 76 CO 0.38 0.27 1.15 0.24 -1.51 0.00 0.00 177.39 177.92 3kow h MET 77 N 1.27 0.46 0.00 3.23 2.86 -1.92 0.32 114.93 121.15 3kow h MET 77 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3kow h MET 77 Cb 0.33 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3kow h MET 77 CO 0.00 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.68 3kow n GLY 78 N -1.31 -0.60 0.12 8.32 0.00 -1.26 -2.45 105.19 108.00 3kow n GLY 78 Ca 0.29 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.63 0.67 0.00 1.61 4.76 0.11 -5.07 118.16 118.62 3kow n LYS 79 Ca 0.00 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3kow n LYS 79 Cb 0.02 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 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 2.00 2.02 0.27 0.72 0.00 -1.02 -4.56 105.19 104.63 3kow n GLY 80 Ca -0.38 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 1.82 0.65 4.61 0.00 -1.83 0.32 119.26 124.83 3kow h ALA 81 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kow h ALA 81 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kow h ALA 81 CO 0.00 0.00 -0.36 0.78 0.00 0.00 0.00 179.25 179.67 3kow h GLY 82 N 0.01 -1.06 0.15 0.00 0.00 -1.91 -3.14 103.07 97.12 3kow h GLY 82 Ca -0.00 0.42 0.22 0.00 0.00 0.00 0.00 47.33 47.97 3kow h GLY 82 CO 0.00 -0.37 0.63 0.84 0.00 0.00 0.00 176.54 177.64 3kow h HIS 83 N -0.93 0.64 -0.07 5.60 6.17 -1.00 -1.53 115.15 124.03 3kow h HIS 83 Ca -0.09 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.02 3kow h HIS 83 Cb 0.73 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.46 3kow h HIS 83 CO -0.00 0.13 0.01 0.82 0.71 0.00 0.00 177.93 179.60 3kow h ILE 84 N 0.45 0.96 -0.35 6.26 1.08 -0.54 -1.64 117.51 123.74 3kow h ILE 84 Ca 0.52 -0.01 -0.10 0.00 -0.39 0.00 0.00 64.86 64.88 3kow h ILE 84 Cb 1.24 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 3kow h ILE 84 CO -0.23 0.01 -0.19 0.58 -0.69 0.00 0.00 178.15 177.63 3kow h VAL 85 N 0.03 1.29 0.00 1.67 2.07 -1.26 0.25 116.25 120.30 3kow h VAL 85 Ca 0.03 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3kow h VAL 85 Cb 0.03 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3kow h VAL 85 CO -0.05 0.43 -0.02 0.22 0.02 0.00 0.00 177.57 178.17 3kow h TYR 86 N 0.52 0.00 0.02 1.57 3.20 -1.24 -1.44 116.97 119.60 3kow h TYR 86 Ca 0.07 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.58 3kow h TYR 86 Cb 0.73 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 3kow h TYR 86 CO 0.06 0.02 -2.25 1.63 -1.64 0.00 0.00 178.16 175.98 3kow n LYS 87 N -3.28 0.68 -0.23 1.82 4.76 -0.63 -3.23 118.16 118.05 3kow n LYS 87 Ca -0.02 0.15 -0.06 0.00 -2.87 0.00 0.00 58.31 55.51 3kow n LYS 87 Cb 0.15 -1.60 0.04 0.00 -1.84 0.00 0.00 35.03 31.79 3kow n LYS 87 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3kow h ILE 88 N 0.01 1.18 0.07 -0.18 1.08 -0.83 -1.92 117.51 116.93 3kow h ILE 88 Ca -0.50 -0.35 0.02 0.00 -0.39 0.00 0.00 64.86 63.65 3kow h ILE 88 Cb 2.04 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 3kow h ILE 88 CO 0.00 0.17 -0.24 0.00 -0.69 0.00 0.00 178.15 177.40 3kow h ALA 89 N 1.22 -0.37 0.00 1.87 0.00 -1.39 -1.44 119.26 119.15 3kow h ALA 89 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kow h ALA 89 Cb -0.07 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kow h ALA 89 CO -0.05 -0.76 0.00 1.63 0.00 0.00 0.00 179.25 180.07 3kow n LYS 90 N -5.36 0.41 -0.05 0.00 5.02 -1.16 -1.58 118.16 115.44 3kow n LYS 90 Ca -0.06 0.05 0.08 0.00 -2.02 0.00 0.00 58.31 56.35 3kow n LYS 90 Cb 0.27 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.25 1.46 -0.05 1.97 -0.58 -0.63 -4.15 120.64 117.41 3kow n GLU 91 Ca 0.13 -1.58 0.01 0.00 -0.42 0.00 0.00 57.16 55.30 3kow n GLU 91 Cb 0.18 -1.30 0.02 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.85 1.42 -4.17 3.49 4.76 -0.70 -5.02 118.16 118.79 3kow n LYS 92 Ca 0.10 -1.20 -0.41 0.00 -2.87 0.00 0.00 58.31 53.94 3kow n LYS 92 Cb 0.40 -0.82 -0.03 0.00 -1.84 0.00 0.00 35.03 32.74 3kow n LYS 92 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kow n ASN 93 N -0.37 -2.10 -2.13 4.39 5.15 -0.79 -4.98 115.26 114.42 3kow n ASN 93 Ca 0.02 -1.28 -0.03 0.00 -0.60 0.00 0.00 54.58 52.68 3kow n ASN 93 Cb 0.43 -1.56 -0.01 0.00 -0.53 0.00 0.00 39.78 38.11 3kow n ASN 93 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3kow n ILE 94 N -4.85 0.00 -3.92 -1.44 -5.35 -0.61 -5.04 119.36 98.14 3kow n ILE 94 Ca -0.19 -0.27 -0.32 0.00 -0.27 0.00 0.00 62.75 61.69 3kow n ILE 94 Cb 0.60 0.07 -0.04 0.00 -1.74 0.00 0.00 39.64 38.53 3kow n ILE 94 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3kow s SER 95 N -1.31 6.34 0.26 7.28 1.04 -1.26 -4.59 113.70 121.46 3kow s SER 95 Ca 0.01 0.29 -0.06 0.00 0.48 0.00 0.00 55.95 56.67 3kow s SER 95 Cb 0.00 -1.96 0.48 0.00 0.10 0.00 0.00 66.02 64.64 3kow s SER 95 CO 0.01 0.21 1.62 0.58 0.98 0.00 0.00 173.24 176.63 3kow h VAL 96 N 2.39 0.26 0.00 5.02 2.07 -1.93 1.09 116.25 125.15 3kow h VAL 96 Ca -0.47 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3kow h VAL 96 Cb 1.17 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3kow h VAL 96 CO 0.73 0.01 -0.18 -0.09 0.02 0.00 0.00 177.57 178.06 3kow h ARG 97 N 0.08 0.00 0.00 1.57 9.65 -1.94 -1.97 114.38 121.77 3kow h ARG 97 Ca 0.45 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 59.25 3kow h ARG 97 Cb 0.80 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 3kow h ARG 97 CO -0.74 0.18 -0.43 0.93 2.80 0.00 0.00 179.97 182.72 3kow h GLU 98 N 0.00 0.00 -0.91 0.20 4.39 0.73 -2.80 114.58 116.18 3kow h GLU 98 Ca -0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 3kow h GLU 98 Cb 0.38 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 3kow h GLU 98 CO 0.02 0.97 0.57 0.00 -1.16 0.00 0.00 179.01 179.42 3kow h ALA 99 N -0.19 1.28 0.33 3.43 0.00 -0.85 -2.08 119.26 121.17 3kow h ALA 99 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kow h ALA 99 Cb 1.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3kow h ALA 99 CO -0.07 0.31 -0.26 0.78 0.00 0.00 0.00 179.25 180.01 3kow h GLY 100 N 1.02 -0.93 -0.73 0.00 0.00 -1.46 -0.09 103.07 100.89 3kow h GLY 100 Ca 0.41 0.41 0.30 0.00 0.00 0.00 0.00 47.33 48.44 3kow h GLY 100 CO -0.19 -0.31 0.29 1.41 0.00 0.00 0.00 176.54 177.75 3kow h LEU 101 N -0.57 0.01 -0.15 3.11 -0.00 -1.29 0.75 115.31 117.16 3kow h LEU 101 Ca -0.04 0.23 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 3kow h LEU 101 Cb 0.48 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 3kow h LEU 101 CO 0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 178.44 178.16 3kow h ALA 102 N 1.90 0.21 -0.78 1.53 0.00 -1.02 -2.66 119.26 118.44 3kow h ALA 102 Ca 0.66 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.50 3kow h ALA 102 Cb 1.49 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 3kow h ALA 102 CO -0.75 -0.08 0.51 -0.07 0.00 0.00 0.00 179.25 178.86 3kow h LEU 103 N 0.01 0.50 0.00 0.00 3.38 0.10 -1.33 115.31 117.97 3kow h LEU 103 Ca 0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kow h LEU 103 Cb 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3kow h LEU 103 CO 0.01 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 177.27 3kow n SER 104 N -4.50 0.00 -1.10 -0.43 3.41 -0.66 -2.64 113.62 107.70 3kow n SER 104 Ca 0.14 0.20 0.08 0.00 -0.26 0.00 0.00 58.87 59.03 3kow n SER 104 Cb 0.46 -0.38 0.27 0.00 -0.26 0.00 0.00 64.21 64.30 3kow n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kow n GLU 105 N -1.38 3.27 0.00 4.33 1.02 -0.51 -4.77 120.64 122.60 3kow n GLU 105 Ca 0.09 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 3kow n GLU 105 Cb 0.22 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 0.40 2.64 3.75 0.62 0.00 -1.08 -5.03 105.19 106.49 3kow n GLY 106 Ca 0.20 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3kow n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kow s LYS 107 N 0.00 3.06 0.00 1.61 1.02 -1.19 -3.87 119.74 120.36 3kow s LYS 107 Ca 0.00 1.91 0.00 0.00 0.02 0.00 0.00 55.97 57.90 3kow s LYS 107 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3kow s LYS 107 CO 0.00 -1.16 0.00 0.66 -0.92 0.00 0.00 175.35 173.93 3kow n TYR 108 N -1.39 0.00 0.08 3.18 4.01 -1.26 -3.89 117.16 117.89 3kow n TYR 108 Ca 0.13 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.90 3kow n TYR 108 Cb 0.49 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 39.96 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 0.36 -0.69 -0.72 4.06 -1.93 -1.22 115.95 115.80 3kow h TRP 109 Ca 0.00 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 3kow h TRP 109 Cb 0.00 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.01 3kow h TRP 109 CO 0.00 0.30 0.27 -0.44 -3.56 0.00 0.00 178.44 175.01 3kow h ASP 110 N 0.37 0.95 -0.11 -3.49 3.32 -1.91 0.86 116.42 116.40 3kow h ASP 110 Ca 0.09 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 3kow h ASP 110 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3kow h ASP 110 CO -0.01 0.85 -0.16 0.44 -1.72 0.00 0.00 179.24 178.64 3kow h ASP 111 N 1.01 0.48 -0.22 6.45 3.32 -1.64 -2.27 116.42 123.55 3kow h ASP 111 Ca 0.23 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 3kow h ASP 111 Cb 0.21 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3kow h ASP 111 CO -0.02 0.66 -0.41 0.00 -1.72 0.00 0.00 179.24 177.76 3kow h ALA 112 N 1.38 0.69 0.00 3.45 0.00 -0.65 -2.99 119.26 121.14 3kow h ALA 112 Ca 0.08 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3kow h ALA 112 Cb 0.55 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kow h ALA 112 CO 0.04 0.67 -0.01 0.82 0.00 0.00 0.00 179.25 180.76 3kow h ILE 113 N 0.62 0.02 -0.02 0.00 2.04 -0.36 -3.52 117.51 116.30 3kow h ILE 113 Ca 0.05 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3kow h ILE 113 Cb 0.97 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3kow h ILE 113 CO 0.09 0.01 0.00 1.67 0.00 0.00 0.00 178.15 179.92