#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 -0.13 -0.07 -0.67 3.57 -2.05 -1.56 116.94 116.03 3kox h PHE 7 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3kox h PHE 7 Cb 0.00 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 3kox h PHE 7 CO 0.00 -0.11 -0.36 1.96 -2.23 0.00 0.00 178.31 177.56 3kox h GLN 8 N 0.01 -0.39 -0.64 1.11 1.08 -2.06 -1.28 115.11 112.95 3kox h GLN 8 Ca 0.14 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.47 3kox h GLN 8 Cb 0.20 0.09 -0.12 0.00 -0.05 0.00 0.00 27.48 27.61 3kox h GLN 8 CO -0.28 -0.26 -0.39 0.37 -0.95 0.00 0.00 178.83 177.32 3kox h GLN 9 N -0.40 -0.16 -0.27 1.46 4.15 -2.01 -2.61 115.11 115.26 3kox h GLN 9 Ca 0.02 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3kox h GLN 9 Cb 0.46 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3kox h GLN 9 CO -0.28 -0.11 0.13 0.00 -1.93 0.00 0.00 178.83 176.63 3kox h ARG 10 N -0.17 0.37 0.00 1.69 2.47 -0.80 -2.93 114.38 115.01 3kox h ARG 10 Ca 0.22 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3kox h ARG 10 Cb 0.56 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 3kox h ARG 10 CO -0.72 0.30 0.00 0.07 0.56 0.00 0.00 179.97 180.17 3kox h ARG 11 N 0.37 0.00 -0.97 0.04 0.11 -0.85 -3.39 114.38 109.70 3kox h ARG 11 Ca 0.10 0.00 0.31 0.00 0.10 0.00 0.00 59.98 60.49 3kox h ARG 11 Cb 0.05 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 30.96 3kox h ARG 11 CO -0.01 0.00 0.26 0.00 0.10 0.00 0.00 179.97 180.31 3kox h ALA 12 N 2.23 1.54 0.00 0.08 0.00 -1.48 0.43 119.26 122.06 3kox h ALA 12 Ca 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3kox h ALA 12 Cb 0.85 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3kox h ALA 12 CO 0.00 -0.66 -0.26 1.12 0.00 0.00 0.00 179.25 179.45 3kox h HIS 13 N 0.07 0.00 0.00 0.00 2.07 -1.85 -2.89 115.15 112.55 3kox h HIS 13 Ca 0.67 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.19 3kox h HIS 13 Cb 1.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.52 3kox h HIS 13 CO -0.27 0.26 -0.23 -0.07 -3.07 0.00 0.00 177.93 174.54 3kox h LEU 14 N 0.00 0.00 -0.84 6.12 3.38 -0.46 -3.37 115.31 120.13 3kox h LEU 14 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kox h LEU 14 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kox h LEU 14 CO 0.03 0.03 0.02 0.00 0.09 0.00 0.00 178.44 178.61 3kox n ALA 15 N -1.87 1.00 0.31 1.53 0.00 -1.08 -1.65 120.51 118.75 3kox n ALA 15 Ca 0.04 0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.64 3kox n ALA 15 Cb 0.46 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.94 1.09 -4.76 0.00 5.03 -1.26 -5.02 115.26 108.40 3kox n ASN 16 Ca -0.01 -1.05 -0.41 0.00 0.87 0.00 0.00 54.58 53.99 3kox n ASN 16 Cb 0.04 0.41 -0.02 0.00 -1.02 0.00 0.00 39.78 39.18 3kox n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kox s LEU 17 N -1.32 4.42 0.71 3.41 1.43 -0.66 -5.01 118.68 121.66 3kox s LEU 17 Ca 0.06 2.66 -0.11 0.00 -1.03 0.00 0.00 54.13 55.71 3kox s LEU 17 Cb 0.06 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.65 3kox s LEU 17 CO 0.17 -0.55 1.07 -0.94 0.23 0.00 0.00 176.35 176.32 3kox s SER 18 N -0.29 5.23 0.54 2.29 1.04 -1.26 -4.80 113.70 116.45 3kox s SER 18 Ca 0.51 1.65 0.36 0.00 0.48 0.00 0.00 55.95 58.95 3kox s SER 18 Cb -0.40 -2.50 1.54 0.00 0.10 0.00 0.00 66.02 64.76 3kox s SER 18 CO 0.50 -1.55 1.81 0.44 0.98 0.00 0.00 173.24 175.43 3kox h ASP 19 N -0.79 0.01 0.44 7.02 3.32 -1.98 0.51 116.42 124.95 3kox h ASP 19 Ca -0.44 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.31 3kox h ASP 19 Cb 1.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 3kox h ASP 19 CO 0.56 0.00 -1.78 -0.62 -1.72 0.00 0.00 179.24 175.68 3kox n GLU 20 N -4.20 0.64 -0.03 3.56 4.71 -1.26 -0.40 120.64 123.66 3kox n GLU 20 Ca 0.25 0.27 -0.10 0.00 -0.01 0.00 0.00 57.16 57.56 3kox n GLU 20 Cb 1.21 -1.77 -0.04 0.00 -1.01 0.00 0.00 31.44 29.84 3kox n GLU 20 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3kox h GLU 21 N 0.00 0.23 -0.46 3.49 5.08 -1.63 -1.13 114.58 120.15 3kox h GLU 21 Ca -0.31 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 3kox h GLU 21 Cb 2.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 3kox h GLU 21 CO 0.07 0.15 -0.22 1.25 -1.00 0.00 0.00 179.01 179.26 3kox h LEU 22 N 0.24 1.00 -0.25 1.33 5.85 -0.89 -1.04 115.31 121.54 3kox h LEU 22 Ca 0.07 -0.40 -0.13 0.00 0.84 0.00 0.00 57.88 58.26 3kox h LEU 22 Cb -0.02 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 3kox h LEU 22 CO -0.02 1.18 -0.34 -0.61 -0.34 0.00 0.00 178.44 178.31 3kox h GLN 23 N 0.81 0.67 0.00 1.25 4.15 -0.74 -2.03 115.11 119.23 3kox h GLN 23 Ca 0.10 -0.39 -0.12 0.00 0.77 0.00 0.00 58.65 59.02 3kox h GLN 23 Cb 0.80 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 3kox h GLN 23 CO 0.07 1.00 -0.56 1.79 -1.93 0.00 0.00 178.83 179.20 3kox h THR 24 N 0.39 1.33 -0.13 2.39 1.35 -1.16 -2.23 112.91 114.85 3kox h THR 24 Ca 0.03 -1.97 -0.02 0.00 -0.55 0.00 0.00 66.41 63.90 3kox h THR 24 Cb 0.92 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3kox h THR 24 CO 0.08 0.55 -0.01 -0.09 -0.25 0.00 0.00 175.52 175.80 3kox h ARG 25 N 0.00 0.23 -0.81 4.72 2.43 -1.11 0.15 114.38 119.99 3kox h ARG 25 Ca -0.01 -0.08 0.16 0.00 -0.81 0.00 0.00 59.98 59.25 3kox h ARG 25 Cb 1.04 -0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.41 3kox h ARG 25 CO 0.07 0.48 -0.22 0.35 -1.51 0.00 0.00 179.97 179.14 3kox h PHE 26 N -0.05 -0.50 0.01 2.20 3.57 -1.19 -1.27 116.94 119.70 3kox h PHE 26 Ca 0.04 0.08 -0.19 0.00 3.53 0.00 0.00 57.97 61.42 3kox h PHE 26 Cb 0.38 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3kox h PHE 26 CO 0.04 -0.36 -0.89 -1.49 -2.23 0.00 0.00 178.31 173.38 3kox h TRP 27 N -0.01 0.09 -0.10 0.41 4.06 -1.03 -1.68 115.95 117.69 3kox h TRP 27 Ca 0.38 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.27 3kox h TRP 27 Cb 0.60 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.74 3kox h TRP 27 CO -0.66 0.91 0.04 1.49 -3.56 0.00 0.00 178.44 176.66 3kox h GLU 28 N 0.03 0.16 -0.32 0.49 4.57 0.07 -1.04 114.58 118.53 3kox h GLU 28 Ca -0.02 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 3kox h GLU 28 Cb 1.55 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 3kox h GLU 28 CO 0.12 0.29 -0.24 0.52 -1.18 0.00 0.00 179.01 178.52 3kox h MET 29 N -0.00 0.73 -0.88 1.92 2.86 -1.26 -1.31 114.93 116.99 3kox h MET 29 Ca 0.03 -0.36 0.23 0.00 -2.06 0.00 0.00 59.70 57.55 3kox h MET 29 Cb 0.19 -0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.71 3kox h MET 29 CO -0.00 0.98 0.24 0.00 1.06 0.00 0.00 176.91 179.18 3kox h ALA 30 N 0.74 1.27 -0.48 6.32 0.00 -1.24 -0.09 119.26 125.80 3kox h ALA 30 Ca 0.06 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3kox h ALA 30 Cb 0.81 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kox h ALA 30 CO 0.06 -0.46 -0.18 1.49 0.00 0.00 0.00 179.25 180.16 3kox h GLU 31 N 0.21 0.96 -0.45 0.00 4.81 -0.08 -2.66 114.58 117.38 3kox h GLU 31 Ca 0.55 -0.40 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3kox h GLU 31 Cb 1.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3kox h GLU 31 CO -0.65 1.07 0.01 0.87 -0.73 0.00 0.00 179.01 179.57 3kox h LYS 32 N 0.81 0.74 -0.27 1.92 1.57 -0.56 -0.40 116.57 120.39 3kox h LYS 32 Ca 0.11 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3kox h LYS 32 Cb 0.75 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3kox h LYS 32 CO 0.06 0.75 0.03 0.82 -0.57 0.00 0.00 179.45 180.53 3kox h ILE 33 N 0.69 1.15 0.00 1.86 2.04 -0.86 -3.28 117.51 119.11 3kox h ILE 33 Ca 0.14 -0.57 -0.23 0.00 1.00 0.00 0.00 64.86 65.20 3kox h ILE 33 Cb 0.42 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3kox h ILE 33 CO 0.02 0.20 -1.84 1.33 0.00 0.00 0.00 178.15 177.85 3kox n VAL 34 N -4.35 1.15 -0.23 1.67 0.24 -0.95 -4.41 118.33 111.46 3kox n VAL 34 Ca 0.01 -0.73 0.03 0.00 -2.04 0.00 0.00 64.34 61.61 3kox n VAL 34 Cb 0.19 -0.60 0.15 0.00 -1.47 0.00 0.00 33.84 32.11 3kox n VAL 34 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3kox h ASP 35 N 0.00 0.08 0.16 -1.34 3.32 -1.14 0.11 116.42 117.62 3kox h ASP 35 Ca -0.28 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3kox h ASP 35 Cb 1.77 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 41.46 3kox h ASP 35 CO 0.04 0.02 -0.14 -0.65 -1.72 0.00 0.00 179.24 176.79 3kox h PRO 36 N 0.31 0.00 -0.11 3.56 0.11 -1.77 -0.10 132.00 134.01 3kox h PRO 36 Ca 0.37 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.30 3kox h PRO 36 Cb 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 3kox h PRO 36 CO -0.43 0.14 -0.68 -0.07 -0.21 0.00 0.00 178.00 176.75 3kox h LEU 37 N 0.00 0.53 -0.69 2.35 3.38 -1.04 -2.27 115.31 117.57 3kox h LEU 37 Ca -0.00 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 3kox h LEU 37 Cb 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kox h LEU 37 CO 0.02 1.06 -0.46 -0.07 0.09 0.00 0.00 178.44 179.08 3kox h LEU 38 N 0.32 0.50 -0.04 1.67 3.38 -0.13 -2.37 115.31 118.65 3kox h LEU 38 Ca -0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kox h LEU 38 Cb 1.24 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3kox h LEU 38 CO 0.12 0.89 0.02 -0.78 0.09 0.00 0.00 178.44 178.78 3kox h ASP 39 N 0.38 0.04 -0.89 -0.43 3.58 -0.86 -1.00 116.42 117.24 3kox h ASP 39 Ca 0.02 -0.04 0.15 0.00 0.42 0.00 0.00 57.03 57.58 3kox h ASP 39 Cb 0.95 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.89 3kox h ASP 39 CO 0.08 0.07 0.49 -0.07 -2.88 0.00 0.00 179.24 176.94 3kox h LEU 40 N 0.01 0.63 -1.16 2.28 3.38 -1.25 -0.48 115.31 118.72 3kox h LEU 40 Ca 0.01 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3kox h LEU 40 Cb 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kox h LEU 40 CO -0.00 0.27 0.05 1.23 0.09 0.00 0.00 178.44 180.08 3kox h GLY 41 N 0.70 0.68 0.94 0.83 0.00 -0.87 -1.95 103.07 103.40 3kox h GLY 41 Ca 0.48 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3kox h GLY 41 CO -0.35 0.37 0.16 0.50 0.00 0.00 0.00 176.54 177.22 3kox h LYS 42 N 0.61 0.50 -0.06 4.80 6.56 0.22 -3.36 116.57 125.84 3kox h LYS 42 Ca 0.13 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3kox h LYS 42 Cb 0.31 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 3kox h LYS 42 CO 0.01 0.47 0.00 1.63 -2.06 0.00 0.00 179.45 179.49 3kox n LYS 43 N -4.73 2.20 -4.30 3.15 5.02 -0.88 -4.96 118.16 113.66 3kox n LYS 43 Ca -0.01 -1.90 -0.16 0.00 -2.02 0.00 0.00 58.31 54.22 3kox n LYS 43 Cb 0.12 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.87 1.09 0.28 4.39 0.01 -0.76 -5.07 114.94 113.01 3kox s ASN 44 Ca 0.28 -1.41 -0.02 0.00 -0.71 0.00 0.00 52.86 50.99 3kox s ASN 44 Cb 0.19 0.23 -0.02 0.00 0.41 0.00 0.00 41.25 42.07 3kox s ASN 44 CO 0.29 -0.77 0.33 0.28 -1.51 0.00 0.00 177.10 175.72 3kox s THR 45 N -3.79 0.00 0.08 1.60 -1.32 -1.26 -4.83 115.64 106.12 3kox s THR 45 Ca 0.38 -1.77 -0.08 0.00 -1.21 0.00 0.00 61.69 59.01 3kox s THR 45 Cb 0.07 -2.49 -0.01 0.00 -1.51 0.00 0.00 72.50 68.57 3kox s THR 45 CO 0.14 0.00 0.16 0.42 -2.21 0.00 0.00 174.62 173.13 3kox s THR 46 N -3.66 0.15 0.44 5.08 -4.23 -1.26 -5.04 115.64 107.12 3kox s THR 46 Ca 0.34 -1.26 0.12 0.00 -1.18 0.00 0.00 61.69 59.71 3kox s THR 46 Cb 0.02 -1.35 0.21 0.00 1.34 0.00 0.00 72.50 72.73 3kox s THR 46 CO 0.17 -0.70 2.02 -0.65 -0.54 0.00 0.00 174.62 174.92 3kox h PRO 47 N 2.84 0.15 -0.41 3.99 0.11 -1.99 -2.00 132.00 134.70 3kox h PRO 47 Ca -0.34 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 3kox h PRO 47 Cb 1.19 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3kox h PRO 47 CO 0.57 0.22 0.07 0.66 -0.21 0.00 0.00 178.00 179.32 3kox h SER 48 N 0.15 0.64 -0.60 -2.05 4.64 -1.98 0.19 113.55 114.54 3kox h SER 48 Ca 0.04 -0.25 0.07 0.00 -0.47 0.00 0.00 61.79 61.17 3kox h SER 48 Cb 0.20 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 3kox h SER 48 CO 0.01 0.73 0.29 0.40 -0.87 0.00 0.00 176.83 177.39 3kox h ILE 49 N 0.53 0.88 -0.08 0.95 2.04 -1.84 0.18 117.51 120.17 3kox h ILE 49 Ca 0.13 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 3kox h ILE 49 Cb 0.36 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3kox h ILE 49 CO 0.01 0.10 -0.07 -0.33 0.00 0.00 0.00 178.15 177.85 3kox h GLU 50 N 0.52 0.19 -0.83 2.37 4.39 -1.15 -0.36 114.58 119.71 3kox h GLU 50 Ca 0.28 -0.10 0.17 0.00 0.34 0.00 0.00 59.36 60.06 3kox h GLU 50 Cb 0.26 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.81 3kox h GLU 50 CO -0.23 0.61 0.37 0.00 -1.16 0.00 0.00 179.01 178.61 3kox h ARG 51 N -0.23 0.47 -0.28 2.33 3.08 -0.41 -0.37 114.38 118.97 3kox h ARG 51 Ca 0.01 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3kox h ARG 51 Cb 0.57 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3kox h ARG 51 CO 0.02 0.31 -0.32 0.66 -1.07 0.00 0.00 179.97 179.57 3kox h SER 52 N 0.49 0.63 -0.58 7.04 4.64 -0.31 0.71 113.55 126.18 3kox h SER 52 Ca 0.48 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 3kox h SER 52 Cb 0.77 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 3kox h SER 52 CO -0.43 0.91 0.26 0.58 -0.87 0.00 0.00 176.83 177.28 3kox h VAL 53 N 0.51 1.21 -0.20 0.95 2.07 -0.41 -2.18 116.25 118.20 3kox h VAL 53 Ca 0.06 -0.63 -0.13 0.00 0.82 0.00 0.00 66.70 66.82 3kox h VAL 53 Cb 0.81 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3kox h VAL 53 CO 0.07 0.25 -0.39 -0.07 0.02 0.00 0.00 177.57 177.45 3kox h LEU 54 N 0.87 0.70 -0.41 2.57 3.38 0.06 -2.24 115.31 120.23 3kox h LEU 54 Ca 0.21 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.71 3kox h LEU 54 Cb 0.14 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.59 3kox h LEU 54 CO -0.02 1.11 -0.36 -0.07 0.09 0.00 0.00 178.44 179.19 3kox h LEU 55 N 0.31 -1.19 -2.51 1.67 3.38 -0.64 -1.22 115.31 115.11 3kox h LEU 55 Ca 0.01 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kox h LEU 55 Cb 0.99 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 3kox h LEU 55 CO 0.09 -0.34 -0.02 0.03 0.09 0.00 0.00 178.44 178.29 3kox h ARG 56 N -0.27 0.00 -0.00 1.13 3.08 -1.31 -2.00 114.38 115.01 3kox h ARG 56 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3kox h ARG 56 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3kox h ARG 56 CO -0.55 0.02 -0.20 -1.33 -1.07 0.00 0.00 179.97 176.84 3kox n MET 57 N -3.43 0.41 0.00 0.04 2.81 -0.51 -4.91 117.12 111.54 3kox n MET 57 Ca -0.02 -0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 3kox n MET 57 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 3kox n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kox n GLY 58 N 1.38 0.70 3.71 3.03 0.00 -0.76 -4.87 105.19 108.37 3kox n GLY 58 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.51 3.08 1.19 1.61 0.08 -0.94 -5.03 117.98 116.46 3kox s PHE 59 Ca 0.00 0.06 -0.19 0.00 0.12 0.00 0.00 56.93 56.91 3kox s PHE 59 Cb 0.00 -1.63 0.28 0.00 -0.57 0.00 0.00 43.02 41.11 3kox s PHE 59 CO 0.00 0.48 1.13 -1.54 -0.10 0.00 0.00 175.22 175.19 3kox s SER 60 N -1.92 1.02 -0.05 1.36 1.04 -1.26 -3.88 113.70 110.02 3kox s SER 60 Ca 0.23 0.57 -0.18 0.00 0.48 0.00 0.00 55.95 57.05 3kox s SER 60 Cb -0.12 -0.77 -0.12 0.00 0.10 0.00 0.00 66.02 65.11 3kox s SER 60 CO 0.15 -4.05 0.75 0.77 0.98 0.00 0.00 173.24 171.83 3kox h SER 61 N -2.54 -0.28 -0.84 7.02 4.64 -1.98 0.10 113.55 119.67 3kox h SER 61 Ca -0.44 -0.20 0.15 0.00 -0.47 0.00 0.00 61.79 60.83 3kox h SER 61 Cb 1.29 0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 63.30 3kox h SER 61 CO 0.33 0.22 -0.26 0.18 -0.87 0.00 0.00 176.83 176.42 3kox n LEU 62 N -5.00 -0.41 -0.07 5.97 4.77 -1.26 -0.88 117.00 120.11 3kox n LEU 62 Ca -0.07 1.46 -0.15 0.00 -0.03 0.00 0.00 56.01 57.22 3kox n LEU 62 Cb 0.24 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3kox n LEU 62 CO 0.21 -1.36 0.46 -0.33 -1.33 0.00 0.00 177.39 175.03 3kox h GLU 63 N 0.00 0.77 -0.07 3.23 5.08 -1.90 -2.45 114.58 119.23 3kox h GLU 63 Ca 0.35 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3kox h GLU 63 Cb 0.57 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3kox h GLU 63 CO -0.86 1.12 0.02 0.00 -1.00 0.00 0.00 179.01 178.29 3kox h ALA 64 N 0.65 0.08 -0.50 3.43 0.00 -0.00 -1.43 119.26 121.48 3kox h ALA 64 Ca 0.01 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3kox h ALA 64 Cb 1.08 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 3kox h ALA 64 CO 0.11 -0.45 -0.19 -0.22 0.00 0.00 0.00 179.25 178.50 3kox h LYS 65 N 0.06 -0.07 -0.66 0.00 3.64 -0.91 0.22 116.57 118.85 3kox h LYS 65 Ca 0.03 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3kox h LYS 65 Cb 0.02 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3kox h LYS 65 CO -0.03 -0.05 0.31 0.00 -2.27 0.00 0.00 179.45 177.41 3kox h ALA 66 N 1.33 0.85 -0.41 5.00 0.00 -1.05 0.12 119.26 125.09 3kox h ALA 66 Ca 0.24 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3kox h ALA 66 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kox h ALA 66 CO -0.56 0.42 -0.18 0.82 0.00 0.00 0.00 179.25 179.75 3kox h ILE 67 N 0.91 1.28 -0.02 0.00 2.04 -0.62 -1.90 117.51 119.21 3kox h ILE 67 Ca 0.23 -1.31 -0.24 0.00 1.00 0.00 0.00 64.86 64.53 3kox h ILE 67 Cb 0.13 1.25 0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3kox h ILE 67 CO -0.03 0.44 -0.94 0.58 0.00 0.00 0.00 178.15 178.20 3kox h VAL 68 N 0.67 1.30 -0.25 1.67 2.07 -0.74 0.16 116.25 121.14 3kox h VAL 68 Ca 0.10 -2.19 0.05 0.00 0.82 0.00 0.00 66.70 65.48 3kox h VAL 68 Cb 0.73 2.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 3kox h VAL 68 CO 0.06 0.67 -0.04 0.44 0.02 0.00 0.00 177.57 178.72 3kox h ASP 69 N 0.32 -0.17 0.02 0.57 5.19 -0.75 0.85 116.42 122.45 3kox h ASP 69 Ca -0.11 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 3kox h ASP 69 Cb 1.60 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 41.23 3kox h ASP 69 CO 0.19 -0.06 -0.13 0.11 -3.12 0.00 0.00 179.24 176.23 3kox h LYS 70 N 0.03 0.25 -0.50 3.56 1.57 -1.32 -1.91 116.57 118.26 3kox h LYS 70 Ca 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3kox h LYS 70 Cb 0.17 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3kox h LYS 70 CO -0.23 0.39 -0.02 1.15 -0.57 0.00 0.00 179.45 180.17 3kox h THR 71 N 0.24 1.25 -0.33 -0.16 2.02 0.10 -2.90 112.91 113.13 3kox h THR 71 Ca 0.05 -1.07 -0.12 0.00 0.77 0.00 0.00 66.41 66.03 3kox h THR 71 Cb 0.38 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3kox h THR 71 CO 0.02 0.38 -0.28 0.24 0.37 0.00 0.00 175.52 176.25 3kox h MET 72 N 0.79 0.77 -0.91 6.66 2.86 -0.68 -1.01 114.93 123.41 3kox h MET 72 Ca 0.15 -0.39 0.14 0.00 -2.06 0.00 0.00 59.70 57.54 3kox h MET 72 Cb 0.50 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 3kox h MET 72 CO 0.03 1.01 0.58 -0.44 1.06 0.00 0.00 176.91 179.15 3kox h ASP 73 N 0.54 0.69 -0.55 1.22 5.19 -1.24 -1.03 116.42 121.25 3kox h ASP 73 Ca 0.06 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3kox h ASP 73 Cb 0.85 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.26 3kox h ASP 73 CO 0.07 0.35 0.00 0.54 -3.12 0.00 0.00 179.24 177.08 3kox n ARG 74 N -4.57 2.66 -3.73 3.56 5.12 -1.11 -4.93 116.66 113.65 3kox n ARG 74 Ca 0.18 -2.13 -0.28 0.00 -1.93 0.00 0.00 57.85 53.68 3kox n ARG 74 Cb 0.46 -1.57 0.03 0.00 -1.16 0.00 0.00 32.46 30.21 3kox n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kox n GLY 75 N 1.23 -0.51 0.90 -0.13 0.00 -0.39 -4.88 105.19 101.41 3kox n GLY 75 Ca 0.20 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.57 3.32 -0.37 0.99 4.32 -0.40 -4.70 117.00 115.59 3kox n LEU 76 Ca 0.02 -2.02 0.03 0.00 -0.02 0.00 0.00 56.01 54.02 3kox n LEU 76 Cb 0.54 -0.33 0.18 0.00 -1.62 0.00 0.00 43.42 42.19 3kox n LEU 76 CO 0.69 0.82 1.26 0.24 -1.22 0.00 0.00 177.39 179.18 3kox h MET 77 N 2.83 1.13 -0.01 3.23 2.86 -1.90 -1.23 114.93 121.84 3kox h MET 77 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3kox h MET 77 Cb 0.84 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 3kox h MET 77 CO 0.00 0.75 0.42 0.78 1.06 0.00 0.00 176.91 179.92 3kox h GLY 78 N 1.17 0.00 1.01 8.32 0.00 -1.95 0.36 103.07 111.97 3kox h GLY 78 Ca 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.65 3kox h GLY 78 CO -0.18 0.00 -1.28 0.50 0.00 0.00 0.00 176.54 175.58 3kox h LYS 79 N 0.00 0.00 0.00 4.80 1.79 -1.60 -3.50 116.57 118.06 3kox h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kox h LYS 79 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 3kox h LYS 79 CO -0.00 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 178.99 3kox n GLY 80 N 1.33 1.50 0.36 3.86 0.00 0.11 -4.47 105.19 107.89 3kox n GLY 80 Ca -0.07 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.70 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 1.49 -0.34 4.61 0.00 -1.86 -2.09 119.26 121.08 3kox h ALA 81 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kox h ALA 81 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kox h ALA 81 CO 0.00 0.42 0.20 0.78 0.00 0.00 0.00 179.25 180.65 3kox h GLY 82 N 1.03 0.50 0.09 0.00 0.00 -1.89 -2.18 103.07 100.62 3kox h GLY 82 Ca 0.34 -0.21 0.14 0.00 0.00 0.00 0.00 47.33 47.60 3kox h GLY 82 CO -0.11 0.20 0.21 0.84 0.00 0.00 0.00 176.54 177.69 3kox h HIS 83 N 0.44 0.34 0.05 5.60 6.17 -1.62 0.47 115.15 126.60 3kox h HIS 83 Ca 0.12 0.04 0.01 0.00 0.71 0.00 0.00 60.37 61.25 3kox h HIS 83 Cb 0.02 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 29.89 3kox h HIS 83 CO -0.04 -0.01 -0.10 0.82 0.71 0.00 0.00 177.93 179.31 3kox h ILE 84 N 0.33 0.77 -0.68 6.26 1.08 -0.96 0.47 117.51 124.77 3kox h ILE 84 Ca 0.38 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.87 3kox h ILE 84 Cb 0.60 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 3kox h ILE 84 CO -0.44 0.00 0.45 0.58 -0.69 0.00 0.00 178.15 178.05 3kox h VAL 85 N -0.19 1.13 0.20 1.67 2.07 -0.90 -0.88 116.25 119.35 3kox h VAL 85 Ca 0.02 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3kox h VAL 85 Cb 0.21 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3kox h VAL 85 CO -0.06 0.16 -0.10 0.22 0.02 0.00 0.00 177.57 177.81 3kox h TYR 86 N 0.86 -0.25 -0.33 1.57 3.20 0.70 -2.40 116.97 120.33 3kox h TYR 86 Ca 0.26 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.16 3kox h TYR 86 Cb -0.01 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3kox h TYR 86 CO -0.00 0.15 0.11 0.87 -1.64 0.00 0.00 178.16 177.65 3kox h LYS 87 N -0.87 0.25 -0.91 1.82 1.79 0.01 -1.57 116.57 117.08 3kox h LYS 87 Ca -0.03 -0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.53 3kox h LYS 87 Cb 0.51 -0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.03 3kox h LYS 87 CO 0.04 0.16 0.55 0.82 -1.08 0.00 0.00 179.45 179.95 3kox h ILE 88 N 0.25 0.93 -0.45 1.86 1.08 -1.24 -1.90 117.51 118.05 3kox h ILE 88 Ca 0.15 -0.31 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 3kox h ILE 88 Cb 0.12 -0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 33.77 3kox h ILE 88 CO -0.15 0.17 0.23 0.00 -0.69 0.00 0.00 178.15 177.71 3kox h ALA 89 N 1.49 0.56 -0.15 1.87 0.00 -0.76 -2.62 119.26 119.65 3kox h ALA 89 Ca 0.44 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.25 3kox h ALA 89 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kox h ALA 89 CO -0.25 -0.11 -0.39 0.87 0.00 0.00 0.00 179.25 179.38 3kox h LYS 90 N 0.47 0.34 -0.64 0.00 1.57 -0.92 -1.26 116.57 116.13 3kox h LYS 90 Ca 0.19 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kox h LYS 90 Cb 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kox h LYS 90 CO -0.12 0.68 0.00 0.39 -0.57 0.00 0.00 179.45 179.82 3kox n GLU 91 N -4.04 3.39 -0.11 3.15 1.02 -0.83 -3.27 120.64 119.95 3kox n GLU 91 Ca -0.01 -2.31 0.02 0.00 -0.02 0.00 0.00 57.16 54.84 3kox n GLU 91 Cb 0.48 -1.85 0.03 0.00 -0.02 0.00 0.00 31.44 30.08 3kox n GLU 91 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kox n LYS 92 N 0.76 1.26 -2.87 3.49 4.76 -1.01 -5.00 118.16 119.56 3kox n LYS 92 Ca 0.21 -1.41 -0.19 0.00 -2.87 0.00 0.00 58.31 54.05 3kox n LYS 92 Cb 0.80 -0.90 -0.03 0.00 -1.84 0.00 0.00 35.03 33.05 3kox n LYS 92 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kox n ASN 93 N -0.51 -0.95 -4.91 4.39 5.03 -1.11 -4.95 115.26 112.25 3kox n ASN 93 Ca 0.04 -0.47 -0.20 0.00 0.87 0.00 0.00 54.58 54.81 3kox n ASN 93 Cb 0.49 -0.85 -0.02 0.00 -1.02 0.00 0.00 39.78 38.39 3kox n ASN 93 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3kox s ILE 94 N -2.02 2.60 0.56 2.41 -4.36 -0.49 -5.03 121.20 114.87 3kox s ILE 94 Ca 0.37 -1.27 -0.16 0.00 -0.26 0.00 0.00 60.65 59.33 3kox s ILE 94 Cb -0.21 -2.87 -0.06 0.00 1.25 0.00 0.00 42.46 40.57 3kox s ILE 94 CO 0.45 0.00 1.03 -0.94 0.24 0.00 0.00 174.94 175.71 3kox s SER 95 N -4.22 6.16 0.19 4.36 1.04 -1.26 -4.44 113.70 115.52 3kox s SER 95 Ca 0.49 1.71 -0.19 0.00 0.48 0.00 0.00 55.95 58.44 3kox s SER 95 Cb -0.05 -2.52 0.14 0.00 0.10 0.00 0.00 66.02 63.69 3kox s SER 95 CO 0.29 -0.91 1.61 0.58 0.98 0.00 0.00 173.24 175.79 3kox h VAL 96 N 0.65 0.28 -0.16 5.02 2.07 -1.92 -0.06 116.25 122.14 3kox h VAL 96 Ca -0.47 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.10 3kox h VAL 96 Cb 1.20 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3kox h VAL 96 CO 0.59 0.00 0.18 -0.09 0.02 0.00 0.00 177.57 178.27 3kox h ARG 97 N -0.13 0.00 0.06 1.57 9.65 -1.93 -2.12 114.38 121.48 3kox h ARG 97 Ca 0.23 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.83 3kox h ARG 97 Cb 0.50 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 3kox h ARG 97 CO -0.60 0.00 -1.55 0.93 2.80 0.00 0.00 179.97 181.55 3kox h GLU 98 N 0.00 0.12 -0.66 0.20 4.39 -1.41 -3.14 114.58 114.07 3kox h GLU 98 Ca 0.08 -0.21 0.10 0.00 0.34 0.00 0.00 59.36 59.67 3kox h GLU 98 Cb 0.43 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.04 3kox h GLU 98 CO -0.00 1.10 -0.42 0.00 -1.16 0.00 0.00 179.01 178.53 3kox h ALA 99 N -0.24 -0.22 -0.63 3.43 0.00 -1.14 -0.08 119.26 120.38 3kox h ALA 99 Ca -0.37 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3kox h ALA 99 Cb 1.62 0.96 -0.03 0.00 0.00 0.00 0.00 17.79 20.34 3kox h ALA 99 CO -0.08 -0.78 0.12 0.78 0.00 0.00 0.00 179.25 179.29 3kox h GLY 100 N -0.17 1.12 0.97 0.00 0.00 -1.53 0.32 103.07 103.78 3kox h GLY 100 Ca 0.21 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3kox h GLY 100 CO -0.74 0.68 0.23 -2.00 0.00 0.00 0.00 176.54 174.71 3kox h LEU 101 N 0.95 0.66 0.52 3.11 5.85 -1.46 0.71 115.31 125.66 3kox h LEU 101 Ca 0.19 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3kox h LEU 101 Cb 0.41 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3kox h LEU 101 CO 0.01 0.61 -0.38 0.00 -0.34 0.00 0.00 178.44 178.34 3kox h ALA 102 N 1.08 -1.14 -1.00 1.25 0.00 -0.14 -2.48 119.26 116.82 3kox h ALA 102 Ca 0.17 -0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.18 3kox h ALA 102 Cb 0.13 0.54 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 3kox h ALA 102 CO -0.02 -1.13 0.59 -0.07 0.00 0.00 0.00 179.25 178.62 3kox h LEU 103 N -0.86 0.62 0.00 0.00 3.38 -0.31 0.85 115.31 118.99 3kox h LEU 103 Ca -0.07 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kox h LEU 103 Cb 0.71 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3kox h LEU 103 CO 0.03 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.03 3kox n SER 104 N -4.95 0.00 -0.12 -0.43 3.41 0.24 -2.14 113.62 109.62 3kox n SER 104 Ca 0.29 0.26 0.06 0.00 -0.26 0.00 0.00 58.87 59.22 3kox n SER 104 Cb 0.84 -0.35 0.09 0.00 -0.26 0.00 0.00 64.21 64.53 3kox n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kox n GLU 105 N -1.35 1.35 0.00 4.33 1.02 0.29 -4.74 120.64 121.56 3kox n GLU 105 Ca 0.04 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.11 3kox n GLU 105 Cb 0.08 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.00 2.28 3.77 0.62 0.00 -0.91 -5.04 105.19 104.91 3kox n GLY 106 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.78 4.71 0.00 1.61 1.02 -1.16 -4.07 119.74 121.07 3kox s LYS 107 Ca 0.00 1.37 0.00 0.00 0.02 0.00 0.00 55.97 57.36 3kox s LYS 107 Cb 0.00 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 3kox s LYS 107 CO 0.00 0.44 0.00 0.66 -0.92 0.00 0.00 175.35 175.53 3kox n TYR 108 N 1.17 0.00 -0.13 3.18 4.01 -1.26 -3.30 117.16 120.83 3kox n TYR 108 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 3kox n TYR 108 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 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 1.13 -0.64 -0.72 4.06 -1.95 -1.62 115.95 116.21 3kox h TRP 109 Ca 0.00 -0.32 0.05 0.00 2.06 0.00 0.00 58.89 60.68 3kox h TRP 109 Cb 0.00 -0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 27.86 3kox h TRP 109 CO 0.00 1.15 0.37 -0.44 -3.56 0.00 0.00 178.44 175.95 3kox h ASP 110 N 0.79 0.57 -0.92 -3.49 3.32 -1.92 -1.07 116.42 113.69 3kox h ASP 110 Ca 0.08 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3kox h ASP 110 Cb 0.92 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 3kox h ASP 110 CO 0.09 0.38 0.61 0.44 -1.72 0.00 0.00 179.24 179.03 3kox h ASP 111 N 0.70 1.05 -0.09 6.45 3.32 -1.94 -1.80 116.42 124.10 3kox h ASP 111 Ca 0.28 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3kox h ASP 111 Cb 0.13 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3kox h ASP 111 CO -0.15 0.75 0.01 0.00 -1.72 0.00 0.00 179.24 178.12 3kox h ALA 112 N 1.43 0.12 -0.60 3.45 0.00 -0.60 -3.00 119.26 120.07 3kox h ALA 112 Ca 0.34 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3kox h ALA 112 Cb -0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3kox h ALA 112 CO -0.08 -0.21 0.29 0.82 0.00 0.00 0.00 179.25 180.07 3kox h ILE 113 N -0.10 0.89 0.00 0.00 2.04 -1.06 -3.52 117.51 115.76 3kox h ILE 113 Ca 0.03 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3kox h ILE 113 Cb 0.32 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3kox h ILE 113 CO 0.00 0.10 0.00 1.67 0.00 0.00 0.00 178.15 179.92