#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kox h PHE 7 N 0.00 1.14 -0.08 -0.67 3.57 -2.05 0.24 116.94 119.09 3kox h PHE 7 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 3kox h PHE 7 Cb 0.00 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 3kox h PHE 7 CO 0.00 0.50 -0.45 1.96 -2.23 0.00 0.00 178.31 178.09 3kox h GLN 8 N 1.03 0.18 0.32 1.11 1.08 -2.06 -2.76 115.11 114.01 3kox h GLN 8 Ca 0.47 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.56 3kox h GLN 8 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3kox h GLN 8 CO -0.24 0.60 -0.15 1.96 -0.95 0.00 0.00 178.83 180.05 3kox h GLN 9 N 0.15 -0.41 -0.89 1.46 4.20 -1.38 -3.37 115.11 114.88 3kox h GLN 9 Ca 0.01 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.86 3kox h GLN 9 Cb 0.85 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.66 3kox h GLN 9 CO 0.07 -0.08 0.57 0.00 -0.67 0.00 0.00 178.83 178.72 3kox h ARG 10 N -0.86 0.78 -0.00 1.46 3.08 -0.64 -2.48 114.38 115.73 3kox h ARG 10 Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kox h ARG 10 Cb 0.52 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3kox h ARG 10 CO 0.07 0.52 -0.02 2.89 -1.07 0.00 0.00 179.97 182.36 3kox n ARG 11 N -4.54 0.45 -0.27 0.04 1.85 -1.05 -4.31 116.66 108.83 3kox n ARG 11 Ca 0.16 -0.02 0.12 0.00 -1.00 0.00 0.00 57.85 57.11 3kox n ARG 11 Cb 0.37 -1.50 0.39 0.00 -1.05 0.00 0.00 32.46 30.66 3kox n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kox h ALA 12 N 3.44 1.85 0.00 2.89 0.00 -1.61 0.64 119.26 126.47 3kox h ALA 12 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kox h ALA 12 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kox h ALA 12 CO 0.00 -0.10 0.00 1.12 0.00 0.00 0.00 179.25 180.27 3kox h HIS 13 N 0.67 0.00 0.02 0.00 2.07 -1.84 -3.23 115.15 112.83 3kox h HIS 13 Ca 0.45 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.67 3kox h HIS 13 Cb 0.75 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.69 3kox h HIS 13 CO -0.00 0.00 -1.71 -0.07 -3.07 0.00 0.00 177.93 173.08 3kox h LEU 14 N 0.00 0.06 -0.43 6.12 3.38 -0.08 -3.42 115.31 120.93 3kox h LEU 14 Ca 0.00 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 57.98 3kox h LEU 14 Cb 0.66 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 3kox h LEU 14 CO 0.00 1.11 0.04 0.00 0.09 0.00 0.00 178.44 179.68 3kox n ALA 15 N -2.60 0.25 -0.04 1.53 0.00 -0.23 -1.56 120.51 117.86 3kox n ALA 15 Ca -0.18 0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.78 3kox n ALA 15 Cb 1.05 -0.35 0.14 0.00 0.00 0.00 0.00 19.45 20.29 3kox n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kox n ASN 16 N -4.38 2.79 -4.76 0.00 3.02 -1.26 -4.94 115.26 105.72 3kox n ASN 16 Ca 0.11 -1.89 -0.40 0.00 -0.03 0.00 0.00 54.58 52.37 3kox n ASN 16 Cb 0.36 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3kox n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kox s LEU 17 N -1.00 4.46 0.84 3.41 1.43 -0.60 -5.01 118.68 122.20 3kox s LEU 17 Ca 0.23 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 3kox s LEU 17 Cb 0.12 -3.71 0.10 0.00 0.03 0.00 0.00 46.19 42.73 3kox s LEU 17 CO 0.17 -0.32 1.10 -0.94 0.23 0.00 0.00 176.35 176.59 3kox s SER 18 N -0.86 3.80 0.19 2.29 1.04 -1.26 -4.81 113.70 114.09 3kox s SER 18 Ca 0.48 1.84 -0.13 0.00 0.48 0.00 0.00 55.95 58.63 3kox s SER 18 Cb -0.33 -2.46 0.21 0.00 0.10 0.00 0.00 66.02 63.54 3kox s SER 18 CO 0.43 -2.49 1.70 0.44 0.98 0.00 0.00 173.24 174.30 3kox h ASP 19 N -1.44 -0.08 -0.54 7.02 3.32 -1.99 -1.52 116.42 121.19 3kox h ASP 19 Ca -0.45 0.10 0.05 0.00 0.02 0.00 0.00 57.03 56.75 3kox h ASP 19 Cb 1.25 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.92 3kox h ASP 19 CO 0.49 -0.01 0.27 -0.08 -1.72 0.00 0.00 179.24 178.19 3kox h GLU 20 N 0.19 0.51 -0.27 3.56 4.57 -1.99 -0.74 114.58 120.42 3kox h GLU 20 Ca 0.26 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 3kox h GLU 20 Cb 0.38 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3kox h GLU 20 CO -0.38 0.34 -0.09 0.93 -1.18 0.00 0.00 179.01 178.63 3kox h GLU 21 N 0.52 0.43 -0.06 1.92 5.08 -1.79 -1.52 114.58 119.17 3kox h GLU 21 Ca 0.24 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 3kox h GLU 21 Cb 0.15 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3kox h GLU 21 CO -0.17 0.53 -0.57 1.25 -1.00 0.00 0.00 179.01 179.05 3kox h LEU 22 N 0.41 0.60 -0.11 1.33 5.85 -0.71 0.26 115.31 122.94 3kox h LEU 22 Ca 0.08 -0.69 0.04 0.00 0.84 0.00 0.00 57.88 58.15 3kox h LEU 22 Cb 0.41 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3kox h LEU 22 CO 0.02 1.21 -0.13 -0.61 -0.34 0.00 0.00 178.44 178.59 3kox h GLN 23 N 0.05 -0.15 -0.19 1.25 4.15 -1.11 0.75 115.11 119.86 3kox h GLN 23 Ca -0.05 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.43 3kox h GLN 23 Cb 1.24 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.90 3kox h GLN 23 CO 0.12 -0.10 -0.26 1.15 -1.93 0.00 0.00 178.83 177.81 3kox h THR 24 N -0.16 0.38 -0.72 2.39 2.02 -1.13 -1.11 112.91 114.58 3kox h THR 24 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 3kox h THR 24 Cb 0.28 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 3kox h THR 24 CO -0.21 0.00 0.44 -0.09 0.37 0.00 0.00 175.52 176.03 3kox h ARG 25 N -0.29 0.81 -0.26 6.66 2.43 -0.06 -0.27 114.38 123.40 3kox h ARG 25 Ca 0.12 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3kox h ARG 25 Cb 0.48 -0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 3kox h ARG 25 CO -0.36 0.54 -0.42 0.35 -1.51 0.00 0.00 179.97 178.56 3kox h PHE 26 N 0.83 -1.22 0.00 2.20 3.57 0.15 -1.95 116.94 120.53 3kox h PHE 26 Ca 0.30 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.73 3kox h PHE 26 Cb 0.08 0.57 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3kox h PHE 26 CO -0.05 -0.46 -0.60 -1.49 -2.23 0.00 0.00 178.31 173.48 3kox h TRP 27 N -0.41 0.00 -0.88 0.41 4.06 -0.42 -2.61 115.95 116.10 3kox h TRP 27 Ca 0.10 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.07 3kox h TRP 27 Cb 0.60 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.72 3kox h TRP 27 CO -0.55 0.60 0.58 0.93 -3.56 0.00 0.00 178.44 176.44 3kox h GLU 28 N 0.00 1.13 -0.24 0.49 5.08 -0.62 -0.66 114.58 119.75 3kox h GLU 28 Ca -0.01 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 3kox h GLU 28 Cb 1.13 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3kox h GLU 28 CO 0.08 0.75 -0.37 0.52 -1.00 0.00 0.00 179.01 178.99 3kox h MET 29 N 1.16 0.68 -0.81 2.33 2.86 -1.17 -1.92 114.93 118.07 3kox h MET 29 Ca 0.33 -0.40 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3kox h MET 29 Cb -0.09 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.54 3kox h MET 29 CO -0.09 1.02 0.47 0.00 1.06 0.00 0.00 176.91 179.38 3kox h ALA 30 N 0.65 1.12 -0.08 6.32 0.00 -1.13 -1.70 119.26 124.44 3kox h ALA 30 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kox h ALA 30 Cb 0.95 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kox h ALA 30 CO 0.08 0.16 0.03 1.49 0.00 0.00 0.00 179.25 181.02 3kox h GLU 31 N 0.84 0.12 -0.92 0.00 4.81 -0.96 -2.23 114.58 116.24 3kox h GLU 31 Ca 0.37 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.73 3kox h GLU 31 Cb 0.25 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 3kox h GLU 31 CO -0.20 0.23 0.59 0.87 -0.73 0.00 0.00 179.01 179.76 3kox h LYS 32 N -0.02 0.68 -0.16 1.92 1.57 -0.65 -1.37 116.57 118.54 3kox h LYS 32 Ca 0.03 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 3kox h LYS 32 Cb 0.15 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3kox h LYS 32 CO -0.00 0.45 -0.73 0.82 -0.57 0.00 0.00 179.45 179.42 3kox h ILE 33 N 0.70 1.30 0.00 1.86 2.04 -0.87 -3.28 117.51 119.25 3kox h ILE 33 Ca 0.47 -1.96 -0.11 0.00 1.00 0.00 0.00 64.86 64.26 3kox h ILE 33 Cb 0.77 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 3kox h ILE 33 CO -0.23 0.62 -1.18 -0.37 0.00 0.00 0.00 178.15 176.99 3kox h VAL 34 N 0.51 0.38 -0.70 1.67 -1.51 -0.79 -3.37 116.25 112.43 3kox h VAL 34 Ca -0.04 -1.71 0.15 0.00 -1.23 0.00 0.00 66.70 63.88 3kox h VAL 34 Cb 1.34 1.92 -0.11 0.00 -2.13 0.00 0.00 31.29 32.30 3kox h VAL 34 CO 0.15 0.22 0.09 0.44 -1.23 0.00 0.00 177.57 177.23 3kox h ASP 35 N 0.00 -0.16 -0.17 4.19 3.32 -1.33 0.89 116.42 123.16 3kox h ASP 35 Ca -0.10 0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 3kox h ASP 35 Cb 1.39 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 3kox h ASP 35 CO 0.03 -0.10 -0.22 -0.65 -1.72 0.00 0.00 179.24 176.58 3kox h PRO 36 N 0.18 0.62 -0.16 3.56 0.11 -1.73 -1.77 132.00 132.81 3kox h PRO 36 Ca 0.39 -0.24 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 3kox h PRO 36 Cb 0.66 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3kox h PRO 36 CO -0.55 0.80 -0.31 -0.07 -0.21 0.00 0.00 178.00 177.66 3kox h LEU 37 N 0.55 0.32 0.07 2.35 3.38 -1.30 -1.41 115.31 119.27 3kox h LEU 37 Ca 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kox h LEU 37 Cb 0.68 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kox h LEU 37 CO 0.05 0.62 -0.03 -0.07 0.09 0.00 0.00 178.44 179.10 3kox h LEU 38 N 0.28 -0.08 -0.87 1.67 3.38 -0.58 -2.54 115.31 116.57 3kox h LEU 38 Ca 0.04 -0.45 0.16 0.00 0.09 0.00 0.00 57.88 57.72 3kox h LEU 38 Cb 0.69 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 3kox h LEU 38 CO 0.05 0.43 0.46 -0.78 0.09 0.00 0.00 178.44 178.69 3kox h ASP 39 N -0.61 0.56 -0.97 -0.43 3.58 -1.23 0.47 116.42 117.78 3kox h ASP 39 Ca -0.01 0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.64 3kox h ASP 39 Cb 0.52 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.50 3kox h ASP 39 CO 0.01 0.22 0.61 -0.07 -2.88 0.00 0.00 179.24 177.13 3kox h LEU 40 N 0.63 0.91 -1.27 2.28 3.38 -1.16 -1.29 115.31 118.79 3kox h LEU 40 Ca 0.48 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3kox h LEU 40 Cb 0.70 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3kox h LEU 40 CO -0.37 0.51 0.46 1.23 0.09 0.00 0.00 178.44 180.36 3kox h GLY 41 N 1.00 1.01 1.05 0.83 0.00 0.32 -2.47 103.07 104.81 3kox h GLY 41 Ca 0.47 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.31 3kox h GLY 41 CO -0.24 0.38 -0.08 0.50 0.00 0.00 0.00 176.54 177.09 3kox h LYS 42 N 0.97 0.95 -0.39 4.80 1.57 -0.12 -3.34 116.57 121.01 3kox h LYS 42 Ca 0.26 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3kox h LYS 42 Cb -0.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3kox h LYS 42 CO -0.05 1.01 0.00 1.63 -0.57 0.00 0.00 179.45 181.46 3kox n LYS 43 N -4.22 2.46 -4.03 3.15 5.02 -0.77 -4.99 118.16 114.77 3kox n LYS 43 Ca 0.01 -2.26 -0.09 0.00 -2.02 0.00 0.00 58.31 53.95 3kox n LYS 43 Cb 0.38 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 3kox n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kox s ASN 44 N -1.40 0.24 0.31 4.39 0.01 -0.96 -5.07 114.94 112.46 3kox s ASN 44 Ca 0.37 -0.97 0.02 0.00 -0.71 0.00 0.00 52.86 51.57 3kox s ASN 44 Cb 0.22 0.32 -0.02 0.00 0.41 0.00 0.00 41.25 42.18 3kox s ASN 44 CO 0.30 -0.75 0.33 0.28 -1.51 0.00 0.00 177.10 175.75 3kox s THR 45 N -3.97 0.00 0.19 1.60 -1.32 -1.26 -4.86 115.64 106.02 3kox s THR 45 Ca 0.15 -1.84 -0.07 0.00 -1.21 0.00 0.00 61.69 58.71 3kox s THR 45 Cb 0.06 -2.53 -0.02 0.00 -1.51 0.00 0.00 72.50 68.50 3kox s THR 45 CO -0.03 0.00 0.28 0.42 -2.21 0.00 0.00 174.62 173.08 3kox s THR 46 N -3.46 0.03 0.14 5.08 -4.23 -1.26 -5.04 115.64 106.90 3kox s THR 46 Ca 0.36 -1.58 -0.19 0.00 -1.18 0.00 0.00 61.69 59.10 3kox s THR 46 Cb 0.02 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3kox s THR 46 CO 0.22 -0.16 1.70 -0.65 -0.54 0.00 0.00 174.62 175.20 3kox h PRO 47 N 2.51 0.03 -0.09 3.99 0.11 -1.99 -1.91 132.00 134.65 3kox h PRO 47 Ca -0.31 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 3kox h PRO 47 Cb 1.24 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3kox h PRO 47 CO 0.47 0.02 -0.13 0.66 -0.21 0.00 0.00 178.00 178.81 3kox h SER 48 N 0.03 0.13 -0.28 -2.05 4.64 -1.98 0.18 113.55 114.22 3kox h SER 48 Ca 0.12 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 3kox h SER 48 Cb 0.18 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3kox h SER 48 CO -0.24 0.27 -0.43 0.40 -0.87 0.00 0.00 176.83 175.95 3kox h ILE 49 N 0.13 1.29 -0.33 0.95 2.04 -1.78 -2.18 117.51 117.63 3kox h ILE 49 Ca 0.03 -1.62 -0.10 0.00 1.00 0.00 0.00 64.86 64.16 3kox h ILE 49 Cb 0.31 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3kox h ILE 49 CO 0.02 0.52 -0.20 -0.33 0.00 0.00 0.00 178.15 178.16 3kox h GLU 50 N 0.53 0.71 0.00 2.37 4.39 -0.64 0.29 114.58 122.23 3kox h GLU 50 Ca 0.02 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 3kox h GLU 50 Cb 1.03 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3kox h GLU 50 CO 0.10 0.93 -0.00 0.00 -1.16 0.00 0.00 179.01 178.88 3kox h ARG 51 N 0.48 0.00 0.25 2.33 3.08 -0.69 -1.21 114.38 118.62 3kox h ARG 51 Ca 0.07 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.78 3kox h ARG 51 Cb 0.74 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.83 3kox h ARG 51 CO 0.06 0.00 -1.51 0.66 -1.07 0.00 0.00 179.97 178.10 3kox h SER 52 N 0.00 0.84 -0.54 7.04 4.64 -0.55 -0.61 113.55 124.36 3kox h SER 52 Ca -0.00 -0.92 0.03 0.00 -0.47 0.00 0.00 61.79 60.44 3kox h SER 52 Cb 0.00 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.78 3kox h SER 52 CO 0.00 1.72 0.31 0.58 -0.87 0.00 0.00 176.83 178.57 3kox h VAL 53 N 0.15 1.02 -0.05 0.95 2.07 -0.80 -0.36 116.25 119.22 3kox h VAL 53 Ca -0.27 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3kox h VAL 53 Cb 2.17 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3kox h VAL 53 CO 0.27 0.11 -0.32 -0.07 0.02 0.00 0.00 177.57 177.58 3kox h LEU 54 N 0.61 0.09 -0.32 2.57 3.38 -1.12 -2.14 115.31 118.38 3kox h LEU 54 Ca 0.23 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3kox h LEU 54 Cb 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kox h LEU 54 CO -0.12 0.41 -0.01 -0.07 0.09 0.00 0.00 178.44 178.74 3kox h LEU 55 N 0.08 0.56 -2.25 1.67 3.38 -0.53 -2.53 115.31 115.69 3kox h LEU 55 Ca 0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3kox h LEU 55 Cb 0.61 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kox h LEU 55 CO 0.04 0.74 -0.04 0.03 0.09 0.00 0.00 178.44 179.31 3kox h ARG 56 N 0.37 0.00 0.00 1.13 3.08 -0.61 -2.17 114.38 116.18 3kox h ARG 56 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3kox h ARG 56 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3kox h ARG 56 CO 0.02 0.04 -0.14 0.52 -1.07 0.00 0.00 179.97 179.33 3kox h MET 57 N 0.00 0.00 0.00 0.04 2.86 -1.07 -3.47 114.93 113.29 3kox h MET 57 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kox h MET 57 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3kox h MET 57 CO 0.00 0.14 0.00 0.41 1.06 0.00 0.00 176.91 178.53 3kox n GLY 58 N 1.11 1.53 3.68 8.32 0.00 -0.82 -4.95 105.19 114.06 3kox n GLY 58 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3kox n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kox s PHE 59 N -1.53 2.91 0.78 1.61 0.08 -0.98 -5.03 117.98 115.82 3kox s PHE 59 Ca 0.00 -0.09 -0.12 0.00 0.12 0.00 0.00 56.93 56.85 3kox s PHE 59 Cb 0.00 -1.45 0.06 0.00 -0.57 0.00 0.00 43.02 41.06 3kox s PHE 59 CO 0.00 0.50 1.11 -1.54 -0.10 0.00 0.00 175.22 175.19 3kox s SER 60 N -2.66 4.68 0.40 1.36 1.04 -1.26 -4.42 113.70 112.84 3kox s SER 60 Ca 0.27 1.16 0.08 0.00 0.48 0.00 0.00 55.95 57.93 3kox s SER 60 Cb -0.10 -1.87 0.85 0.00 0.10 0.00 0.00 66.02 65.00 3kox s SER 60 CO 0.18 -1.83 2.01 0.77 0.98 0.00 0.00 173.24 175.35 3kox h SER 61 N -1.00 0.52 -0.15 7.02 4.64 -1.98 0.11 113.55 122.71 3kox h SER 61 Ca -0.47 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.78 3kox h SER 61 Cb 1.28 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kox h SER 61 CO 0.62 0.35 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.67 3kox h LEU 62 N 0.60 0.43 0.03 5.97 3.38 -2.00 -2.33 115.31 121.40 3kox h LEU 62 Ca 0.24 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kox h LEU 62 Cb 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kox h LEU 62 CO -0.07 0.84 -0.04 -0.33 0.09 0.00 0.00 178.44 178.94 3kox h GLU 63 N 0.03 -0.08 -0.05 1.13 5.08 -1.82 -2.32 114.58 116.54 3kox h GLU 63 Ca 0.02 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3kox h GLU 63 Cb 0.74 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3kox h GLU 63 CO 0.04 -0.05 -0.20 0.00 -1.00 0.00 0.00 179.01 177.80 3kox h ALA 64 N 0.89 1.57 -0.18 3.43 0.00 -0.78 0.60 119.26 124.78 3kox h ALA 64 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3kox h ALA 64 Cb 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kox h ALA 64 CO -0.01 0.32 -0.30 -0.22 0.00 0.00 0.00 179.25 179.04 3kox h LYS 65 N 0.08 0.52 -0.40 0.00 3.64 -1.25 -1.72 116.57 117.44 3kox h LYS 65 Ca 0.01 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 3kox h LYS 65 Cb 0.41 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3kox h LYS 65 CO 0.03 0.92 0.20 0.00 -2.27 0.00 0.00 179.45 178.33 3kox h ALA 66 N 0.60 0.52 -0.69 5.00 0.00 -0.82 0.13 119.26 123.99 3kox h ALA 66 Ca 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kox h ALA 66 Cb 0.88 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3kox h ALA 66 CO 0.07 0.07 0.43 0.82 0.00 0.00 0.00 179.25 180.64 3kox h ILE 67 N 0.51 1.07 -0.08 0.00 2.04 -0.91 -2.96 117.51 117.18 3kox h ILE 67 Ca 0.14 -0.28 -0.24 0.00 1.00 0.00 0.00 64.86 65.48 3kox h ILE 67 Cb 0.11 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3kox h ILE 67 CO -0.02 0.15 -0.89 0.58 0.00 0.00 0.00 178.15 177.97 3kox h VAL 68 N 0.82 1.30 -0.74 1.67 2.07 -0.55 -1.89 116.25 118.92 3kox h VAL 68 Ca 0.29 -2.13 0.12 0.00 0.82 0.00 0.00 66.70 65.79 3kox h VAL 68 Cb 0.06 2.18 -0.13 0.00 -1.52 0.00 0.00 31.29 31.88 3kox h VAL 68 CO -0.13 0.66 -0.38 0.44 0.02 0.00 0.00 177.57 178.19 3kox h ASP 69 N 0.44 -1.33 0.23 0.57 3.32 -0.72 -1.54 116.42 117.37 3kox h ASP 69 Ca -0.08 0.26 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 3kox h ASP 69 Cb 1.52 0.67 -0.01 0.00 0.22 0.00 0.00 39.33 41.73 3kox h ASP 69 CO 0.17 -0.30 -0.43 0.11 -1.72 0.00 0.00 179.24 177.08 3kox h LYS 70 N -0.11 0.26 -0.12 3.56 1.57 -1.35 0.12 116.57 120.50 3kox h LYS 70 Ca 0.26 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3kox h LYS 70 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3kox h LYS 70 CO -0.80 0.65 0.05 1.15 -0.57 0.00 0.00 179.45 179.93 3kox h THR 71 N 0.22 1.15 0.26 -0.16 2.02 -0.98 -2.38 112.91 113.05 3kox h THR 71 Ca 0.02 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3kox h THR 71 Cb 0.85 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3kox h THR 71 CO 0.07 0.14 -0.16 0.24 0.37 0.00 0.00 175.52 176.17 3kox h MET 72 N 0.03 -0.39 -1.03 6.66 2.86 -1.02 -0.91 114.93 121.13 3kox h MET 72 Ca 0.04 0.03 0.30 0.00 -2.06 0.00 0.00 59.70 58.00 3kox h MET 72 Cb 0.17 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 3kox h MET 72 CO -0.00 -0.26 0.74 -0.44 1.06 0.00 0.00 176.91 178.00 3kox h ASP 73 N -0.41 0.03 -0.14 1.22 3.32 -0.73 -1.18 116.42 118.54 3kox h ASP 73 Ca -0.03 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3kox h ASP 73 Cb 0.34 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3kox h ASP 73 CO 0.03 0.01 -0.16 0.54 -1.72 0.00 0.00 179.24 177.94 3kox n ARG 74 N -4.25 1.80 -1.91 3.56 1.74 -0.44 -4.98 116.66 112.17 3kox n ARG 74 Ca 0.22 -2.99 -0.19 0.00 -0.77 0.00 0.00 57.85 54.12 3kox n ARG 74 Cb 1.08 -1.68 -0.05 0.00 -1.02 0.00 0.00 32.46 30.79 3kox n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kox n GLY 75 N -1.11 0.82 0.50 -0.13 0.00 -0.44 -4.85 105.19 99.98 3kox n GLY 75 Ca 0.22 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3kox n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kox n LEU 76 N -2.40 1.83 -0.27 0.99 4.32 -0.72 -4.55 117.00 116.20 3kox n LEU 76 Ca -0.20 -0.62 0.15 0.00 -0.02 0.00 0.00 56.01 55.32 3kox n LEU 76 Cb 0.64 -0.04 0.43 0.00 -1.62 0.00 0.00 43.42 42.83 3kox n LEU 76 CO 0.27 0.33 1.22 0.24 -1.22 0.00 0.00 177.39 178.23 3kox h MET 77 N 2.46 0.57 0.00 3.23 2.86 -1.89 0.39 114.93 122.54 3kox h MET 77 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3kox h MET 77 Cb 0.69 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3kox h MET 77 CO 0.00 0.37 0.04 0.41 1.06 0.00 0.00 176.91 178.79 3kox n GLY 78 N -1.45 -0.57 0.08 8.32 0.00 -1.26 -1.80 105.19 108.50 3kox n GLY 78 Ca 0.19 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.29 3kox n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kox n LYS 79 N -1.68 0.63 -0.07 1.61 4.76 0.13 -5.07 118.16 118.47 3kox n LYS 79 Ca -0.00 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3kox n LYS 79 Cb 0.04 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 3kox n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kox n GLY 80 N 1.37 0.47 0.21 0.72 0.00 -0.75 -4.53 105.19 102.68 3kox n GLY 80 Ca -0.10 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.72 3kox n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox h ALA 81 N 0.00 1.15 -0.72 4.61 0.00 -1.86 -0.91 119.26 121.52 3kox h ALA 81 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3kox h ALA 81 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3kox h ALA 81 CO 0.00 0.56 0.36 0.78 0.00 0.00 0.00 179.25 180.95 3kox h GLY 82 N 1.15 1.09 0.91 0.00 0.00 -1.91 -2.48 103.07 101.83 3kox h GLY 82 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3kox h GLY 82 CO 0.06 0.49 -0.08 0.84 0.00 0.00 0.00 176.54 177.85 3kox h HIS 83 N 1.02 -0.21 -0.06 5.60 6.17 -1.42 -1.99 115.15 124.27 3kox h HIS 83 Ca 0.25 0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.37 3kox h HIS 83 Cb 0.08 0.08 -0.05 0.00 2.52 0.00 0.00 27.41 30.04 3kox h HIS 83 CO 0.01 -0.13 -0.30 0.82 0.71 0.00 0.00 177.93 179.04 3kox h ILE 84 N -0.19 0.34 -0.16 6.26 1.08 -1.33 0.20 117.51 123.71 3kox h ILE 84 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 3kox h ILE 84 Cb 0.18 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.21 3kox h ILE 84 CO -0.01 0.00 -0.20 0.58 -0.69 0.00 0.00 178.15 177.83 3kox h VAL 85 N -0.41 0.50 0.05 1.67 2.07 -1.41 -1.25 116.25 117.47 3kox h VAL 85 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3kox h VAL 85 Cb 0.53 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3kox h VAL 85 CO -0.29 0.00 -0.43 0.22 0.02 0.00 0.00 177.57 177.09 3kox h TYR 86 N -0.23 -1.27 -0.49 1.57 3.20 -0.92 0.35 116.97 119.18 3kox h TYR 86 Ca 0.11 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.04 3kox h TYR 86 Cb 0.40 0.55 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 3kox h TYR 86 CO -0.32 -0.48 0.28 0.87 -1.64 0.00 0.00 178.16 176.88 3kox h LYS 87 N -0.58 0.54 -0.33 1.82 1.79 -0.52 0.34 116.57 119.64 3kox h LYS 87 Ca 0.00 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.50 3kox h LYS 87 Cb 0.60 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 3kox h LYS 87 CO -0.26 0.36 0.22 0.82 -1.08 0.00 0.00 179.45 179.51 3kox h ILE 88 N 0.56 0.92 0.03 1.86 1.08 -1.19 -0.90 117.51 119.87 3kox h ILE 88 Ca 0.20 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.61 3kox h ILE 88 Cb 0.05 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 3kox h ILE 88 CO -0.11 0.03 -0.02 0.00 -0.69 0.00 0.00 178.15 177.37 3kox h ALA 89 N 1.83 -0.05 -0.30 1.87 0.00 0.19 -2.71 119.26 120.09 3kox h ALA 89 Ca 0.15 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3kox h ALA 89 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kox h ALA 89 CO -0.02 -0.41 -0.13 0.87 0.00 0.00 0.00 179.25 179.56 3kox h LYS 90 N -0.28 0.62 0.36 0.00 1.57 -0.84 -0.11 116.57 117.89 3kox h LYS 90 Ca -0.00 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3kox h LYS 90 Cb 0.26 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3kox h LYS 90 CO 0.01 0.83 -0.48 0.93 -0.57 0.00 0.00 179.45 180.18 3kox h GLU 91 N 0.37 -0.85 0.00 3.15 4.39 -1.25 -1.83 114.58 118.57 3kox h GLU 91 Ca 0.07 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3kox h GLU 91 Cb 0.64 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3kox h GLU 91 CO 0.04 -0.56 0.00 1.63 -1.16 0.00 0.00 179.01 178.96 3kox n LYS 92 N -5.53 0.95 -3.76 2.33 4.76 -1.02 -4.91 118.16 110.99 3kox n LYS 92 Ca -0.10 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.10 3kox n LYS 92 Cb 0.43 -1.19 0.02 0.00 -1.84 0.00 0.00 35.03 32.44 3kox n LYS 92 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kox n ASN 93 N -0.69 -1.48 -4.37 4.39 2.85 -0.69 -5.00 115.26 110.26 3kox n ASN 93 Ca 0.09 -0.89 -0.20 0.00 -0.11 0.00 0.00 54.58 53.46 3kox n ASN 93 Cb 0.04 -3.72 -0.10 0.00 1.24 0.00 0.00 39.78 37.24 3kox n ASN 93 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3kox s ILE 94 N -3.73 0.94 0.72 -1.44 -4.36 -0.14 -5.04 121.20 108.16 3kox s ILE 94 Ca 0.06 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.34 3kox s ILE 94 Cb -0.02 -2.70 0.03 0.00 1.25 0.00 0.00 42.46 41.02 3kox s ILE 94 CO 0.84 0.00 1.08 -0.94 0.24 0.00 0.00 174.94 176.16 3kox s SER 95 N -3.45 4.89 0.24 4.36 1.04 -1.26 -4.44 113.70 115.07 3kox s SER 95 Ca 0.36 1.80 -0.06 0.00 0.48 0.00 0.00 55.95 58.53 3kox s SER 95 Cb 0.08 -2.52 0.42 0.00 0.10 0.00 0.00 66.02 64.10 3kox s SER 95 CO 0.15 -1.78 1.69 0.58 0.98 0.00 0.00 173.24 174.86 3kox h VAL 96 N -0.74 0.54 -0.41 5.02 2.07 -1.92 0.44 116.25 121.25 3kox h VAL 96 Ca -0.44 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.85 3kox h VAL 96 Cb 1.23 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3kox h VAL 96 CO 0.53 0.05 -0.28 -0.09 0.02 0.00 0.00 177.57 177.80 3kox h ARG 97 N 0.26 0.88 -0.21 1.57 2.43 -1.92 -0.57 114.38 116.82 3kox h ARG 97 Ca 0.39 -0.40 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3kox h ARG 97 Cb 0.65 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3kox h ARG 97 CO -0.49 1.05 -0.01 0.93 -1.51 0.00 0.00 179.97 179.93 3kox h GLU 98 N 0.75 0.38 -0.52 0.20 5.08 -1.82 -1.19 114.58 117.45 3kox h GLU 98 Ca 0.09 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3kox h GLU 98 Cb 0.84 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.96 3kox h GLU 98 CO 0.07 0.59 -0.43 0.00 -1.00 0.00 0.00 179.01 178.24 3kox h ALA 99 N 0.78 -0.35 -0.35 3.43 0.00 -0.50 0.48 119.26 122.74 3kox h ALA 99 Ca 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kox h ALA 99 Cb 0.42 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3kox h ALA 99 CO 0.01 -0.84 0.06 0.78 0.00 0.00 0.00 179.25 179.27 3kox h GLY 100 N -0.26 0.63 0.88 0.00 0.00 -1.08 -0.03 103.07 103.21 3kox h GLY 100 Ca 0.17 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.10 3kox h GLY 100 CO -0.65 0.38 0.14 1.41 0.00 0.00 0.00 176.54 177.83 3kox h LEU 101 N 0.42 0.22 0.40 3.11 -0.00 -0.85 1.95 115.31 120.56 3kox h LEU 101 Ca 0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 3kox h LEU 101 Cb 0.35 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 3kox h LEU 101 CO 0.01 0.16 -0.33 0.00 -0.00 0.00 0.00 178.44 178.28 3kox h ALA 102 N 1.15 -0.75 -0.34 1.53 0.00 -0.87 0.17 119.26 120.14 3kox h ALA 102 Ca 0.12 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3kox h ALA 102 Cb 0.03 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 3kox h ALA 102 CO -0.08 -0.95 -0.24 -0.07 0.00 0.00 0.00 179.25 177.90 3kox h LEU 103 N -0.74 -0.80 -1.96 0.00 3.38 -0.65 -0.71 115.31 113.83 3kox h LEU 103 Ca -0.03 0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.24 3kox h LEU 103 Cb 0.65 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3kox h LEU 103 CO -0.02 -0.27 0.38 0.77 0.09 0.00 0.00 178.44 179.38 3kox h SER 104 N -0.20 0.03 -0.00 -0.43 4.64 0.37 0.24 113.55 118.20 3kox h SER 104 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3kox h SER 104 Cb 0.47 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3kox h SER 104 CO -0.46 0.02 -0.02 -0.62 -0.87 0.00 0.00 176.83 174.88 3kox n GLU 105 N -4.39 1.76 0.00 4.77 1.02 0.54 -4.67 120.64 119.67 3kox n GLU 105 Ca 0.10 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 3kox n GLU 105 Cb 0.58 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3kox n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kox n GLY 106 N 1.22 1.29 3.68 0.62 0.00 0.07 -5.06 105.19 107.01 3kox n GLY 106 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3kox n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kox s LYS 107 N -0.19 2.77 -0.03 1.61 1.02 -0.40 -4.66 119.74 119.86 3kox s LYS 107 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.37 3kox s LYS 107 Cb 0.00 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 3kox s LYS 107 CO 0.00 0.62 0.00 0.66 -0.92 0.00 0.00 175.35 175.71 3kox n TYR 108 N 1.42 0.00 0.05 3.18 4.01 -1.26 -3.33 117.16 121.22 3kox n TYR 108 Ca -0.15 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.45 3kox n TYR 108 Cb 0.53 -0.36 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 3kox n TYR 108 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3kox h TRP 109 N 0.00 0.75 -0.73 -0.72 4.06 -1.95 -2.21 115.95 115.15 3kox h TRP 109 Ca -0.01 -0.38 0.01 0.00 2.06 0.00 0.00 58.89 60.57 3kox h TRP 109 Cb 0.03 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.05 3kox h TRP 109 CO 0.01 1.20 0.49 -0.44 -3.56 0.00 0.00 178.44 176.14 3kox h ASP 110 N 0.32 0.84 -0.33 -3.49 3.32 -1.95 0.55 116.42 115.69 3kox h ASP 110 Ca -0.08 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3kox h ASP 110 Cb 1.53 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 3kox h ASP 110 CO 0.16 0.61 0.04 0.44 -1.72 0.00 0.00 179.24 178.78 3kox h ASP 111 N 1.00 0.61 -0.16 6.45 3.32 -1.94 -1.64 116.42 124.05 3kox h ASP 111 Ca 0.27 -0.11 -0.22 0.00 0.02 0.00 0.00 57.03 56.98 3kox h ASP 111 Cb -0.11 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.29 3kox h ASP 111 CO -0.06 0.65 -0.77 0.00 -1.72 0.00 0.00 179.24 177.34 3kox h ALA 112 N 1.43 0.31 0.00 3.45 0.00 -0.75 -2.20 119.26 121.50 3kox h ALA 112 Ca 0.13 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3kox h ALA 112 Cb 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kox h ALA 112 CO 0.01 0.68 -0.02 0.82 0.00 0.00 0.00 179.25 180.74 3kox h ILE 113 N 0.55 0.63 -0.01 0.00 2.04 -0.75 -3.51 117.51 116.45 3kox h ILE 113 Ca -0.05 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3kox h ILE 113 Cb 1.40 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3kox h ILE 113 CO 0.16 0.02 0.00 1.67 0.00 0.00 0.00 178.15 180.00