#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 0.87 0.00 -0.67 3.57 -2.05 -0.35 116.94 118.32 3kox h PHE 7 Ca 0.00 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3kox h PHE 7 Cb 0.00 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3kox h PHE 7 CO 0.00 -0.13 -0.28 0.37 -2.23 0.00 0.00 178.31 176.04 3kox h GLN 8 N 0.37 0.00 0.08 1.11 5.75 -2.06 -2.25 115.11 118.11 3kox h GLN 8 Ca 0.69 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 59.19 3kox h GLN 8 Cb 1.50 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.05 3kox h GLN 8 CO -0.58 0.28 -0.04 1.96 -2.65 0.00 0.00 178.83 177.80 3kox h GLN 9 N 0.00 -0.10 -1.23 1.69 1.08 -1.55 -3.32 115.11 111.68 3kox h GLN 9 Ca -0.00 0.01 0.35 0.00 -1.45 0.00 0.00 58.65 57.56 3kox h GLN 9 Cb 0.59 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.97 3kox h GLN 9 CO 0.04 0.32 0.85 0.00 -0.95 0.00 0.00 178.83 179.08 3kox h ARG 10 N -0.97 0.11 -0.07 1.46 2.47 -1.25 -2.15 114.38 113.99 3kox h ARG 10 Ca -0.01 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3kox h ARG 10 Cb 0.46 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3kox h ARG 10 CO 0.02 0.08 0.00 2.89 0.56 0.00 0.00 179.97 183.51 3kox n ARG 11 N -4.34 2.33 -0.26 0.04 1.85 -0.86 -4.51 116.66 110.90 3kox n ARG 11 Ca 0.29 -1.94 0.03 0.00 -1.00 0.00 0.00 57.85 55.23 3kox n ARG 11 Cb 1.24 -1.47 0.16 0.00 -1.05 0.00 0.00 32.46 31.34 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 4.67 1.07 0.00 2.89 0.00 -1.48 -0.33 119.26 126.09 3kox h ALA 12 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kox h ALA 12 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3kox h ALA 12 CO 0.00 -0.03 0.00 -2.39 0.00 0.00 0.00 179.25 176.83 3kox n HIS 13 N -4.84 0.00 -0.02 0.00 1.44 -1.26 -2.25 115.22 108.28 3kox n HIS 13 Ca 0.13 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.79 3kox n HIS 13 Cb 0.31 -0.48 -0.12 0.00 0.12 0.00 0.00 29.99 29.81 3kox n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kox n LEU 14 N -1.48 0.60 -0.34 2.39 4.77 -0.19 -4.65 117.00 118.10 3kox n LEU 14 Ca 0.04 0.28 0.08 0.00 -0.03 0.00 0.00 56.01 56.38 3kox n LEU 14 Cb 0.19 0.20 0.18 0.00 -2.33 0.00 0.00 43.42 41.66 3kox n LEU 14 CO 0.16 0.29 0.67 0.00 -1.33 0.00 0.00 177.39 177.18 3kox n ALA 15 N -2.52 0.30 0.81 -1.18 0.00 -0.84 -0.13 120.51 116.96 3kox n ALA 15 Ca -0.17 1.05 0.13 0.00 0.00 0.00 0.00 53.44 54.44 3kox n ALA 15 Cb 0.96 -0.67 0.52 0.00 0.00 0.00 0.00 19.45 20.27 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 -5.52 0.22 -4.77 0.00 5.03 -1.26 -4.88 115.26 104.08 3kox n ASN 16 Ca 0.17 0.53 -0.40 0.00 0.87 0.00 0.00 54.58 55.75 3kox n ASN 16 Cb 0.55 -0.58 -0.02 0.00 -1.02 0.00 0.00 39.78 38.71 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 -3.43 4.33 1.09 3.41 1.43 0.82 -5.04 118.68 121.29 3kox s LEU 17 Ca 0.12 2.62 -0.18 0.00 -1.03 0.00 0.00 54.13 55.65 3kox s LEU 17 Cb 0.16 -3.79 0.25 0.00 0.03 0.00 0.00 46.19 42.84 3kox s LEU 17 CO 0.50 -0.65 1.24 -0.94 0.23 0.00 0.00 176.35 176.73 3kox s SER 18 N -0.68 1.92 0.36 2.29 1.04 -1.26 -4.87 113.70 112.50 3kox s SER 18 Ca 0.53 0.37 0.18 0.00 0.48 0.00 0.00 55.95 57.51 3kox s SER 18 Cb -0.38 -0.45 0.57 0.00 0.10 0.00 0.00 66.02 65.87 3kox s SER 18 CO 0.49 -3.48 1.68 0.44 0.98 0.00 0.00 173.24 173.35 3kox h ASP 19 N -2.15 0.00 0.13 7.02 3.32 -1.99 -2.22 116.42 120.53 3kox h ASP 19 Ca -0.44 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.43 3kox h ASP 19 Cb 1.25 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.82 3kox h ASP 19 CO 0.33 0.40 -0.83 -0.33 -1.72 0.00 0.00 179.24 177.09 3kox h GLU 20 N 0.00 0.27 -0.27 3.56 3.07 -2.00 -2.77 114.58 116.44 3kox h GLU 20 Ca -0.00 -0.46 -0.08 0.00 -0.50 0.00 0.00 59.36 58.32 3kox h GLU 20 Cb 0.99 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 3kox h GLU 20 CO 0.05 1.22 -0.15 0.93 -1.40 0.00 0.00 179.01 179.66 3kox h GLU 21 N -0.42 0.47 -0.33 2.33 5.08 -1.93 -1.46 114.58 118.32 3kox h GLU 21 Ca -0.15 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 3kox h GLU 21 Cb 1.61 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 3kox h GLU 21 CO 0.13 0.62 -0.03 1.25 -1.00 0.00 0.00 179.01 179.97 3kox h LEU 22 N 0.43 0.60 -0.31 1.33 5.85 -1.47 -1.37 115.31 120.38 3kox h LEU 22 Ca 0.08 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.49 3kox h LEU 22 Cb 0.52 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3kox h LEU 22 CO 0.03 0.79 0.16 -0.61 -0.34 0.00 0.00 178.44 178.47 3kox h GLN 23 N 0.40 0.32 -0.41 1.25 4.15 -1.21 -1.07 115.11 118.54 3kox h GLN 23 Ca 0.09 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3kox h GLN 23 Cb 0.50 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 3kox h GLN 23 CO 0.02 0.21 0.27 1.15 -1.93 0.00 0.00 178.83 178.55 3kox h THR 24 N 0.33 1.10 -0.82 2.39 2.02 -1.22 -1.85 112.91 114.85 3kox h THR 24 Ca 0.13 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3kox h THR 24 Cb 0.04 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 3kox h THR 24 CO -0.09 0.10 0.38 -0.09 0.37 0.00 0.00 175.52 176.20 3kox h ARG 25 N 0.55 1.18 -0.15 6.66 2.43 -0.98 0.16 114.38 124.23 3kox h ARG 25 Ca 0.15 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3kox h ARG 25 Cb -0.05 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 3kox h ARG 25 CO -0.04 0.92 0.06 0.35 -1.51 0.00 0.00 179.97 179.75 3kox h PHE 26 N 1.16 0.11 -0.11 2.20 3.57 -0.72 -1.20 116.94 121.95 3kox h PHE 26 Ca 0.28 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.59 3kox h PHE 26 Cb 0.13 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3kox h PHE 26 CO 0.01 0.06 -0.75 -1.49 -2.23 0.00 0.00 178.31 173.91 3kox h TRP 27 N 0.14 0.79 -0.32 0.41 4.06 -1.12 0.13 115.95 120.03 3kox h TRP 27 Ca 0.06 -0.35 -0.11 0.00 2.06 0.00 0.00 58.89 60.55 3kox h TRP 27 Cb 0.03 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 3kox h TRP 27 CO -0.10 1.14 -0.26 1.05 -3.56 0.00 0.00 178.44 176.70 3kox h GLU 28 N 0.40 0.63 -0.02 0.49 4.11 -0.62 -0.73 114.58 118.83 3kox h GLU 28 Ca -0.04 -0.26 -0.11 0.00 0.07 0.00 0.00 59.36 59.02 3kox h GLU 28 Cb 1.35 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3kox h GLU 28 CO 0.14 0.83 -0.48 0.52 0.07 0.00 0.00 179.01 180.10 3kox h MET 29 N 0.55 0.06 -0.44 1.06 2.86 -1.16 -1.48 114.93 116.38 3kox h MET 29 Ca 0.07 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3kox h MET 29 Cb 0.74 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3kox h MET 29 CO 0.06 0.53 0.14 0.00 1.06 0.00 0.00 176.91 178.69 3kox h ALA 30 N 1.47 0.57 -0.47 6.32 0.00 -0.31 -2.46 119.26 124.39 3kox h ALA 30 Ca -0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3kox h ALA 30 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kox h ALA 30 CO 0.07 0.22 -0.20 1.49 0.00 0.00 0.00 179.25 180.83 3kox h GLU 31 N 0.57 0.93 -0.99 0.00 4.81 -0.94 -1.79 114.58 117.17 3kox h GLU 31 Ca 0.14 -0.38 0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3kox h GLU 31 Cb 0.26 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.52 3kox h GLU 31 CO -0.00 1.04 0.62 0.87 -0.73 0.00 0.00 179.01 180.81 3kox h LYS 32 N 0.81 0.98 -0.33 1.92 1.57 -1.22 -0.07 116.57 120.23 3kox h LYS 32 Ca 0.11 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 3kox h LYS 32 Cb 0.75 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3kox h LYS 32 CO 0.06 0.65 -0.42 0.82 -0.57 0.00 0.00 179.45 180.00 3kox h ILE 33 N 1.01 1.28 0.00 1.86 2.04 -0.97 -3.22 117.51 119.52 3kox h ILE 33 Ca 0.48 -1.59 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 3kox h ILE 33 Cb 0.42 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3kox h ILE 33 CO -0.25 0.52 -0.58 -0.37 0.00 0.00 0.00 178.15 177.48 3kox h VAL 34 N 0.67 0.01 -0.43 1.67 -1.51 -0.97 -3.39 116.25 112.30 3kox h VAL 34 Ca 0.05 -1.02 0.09 0.00 -1.23 0.00 0.00 66.70 64.59 3kox h VAL 34 Cb 0.99 1.72 -0.08 0.00 -2.13 0.00 0.00 31.29 31.79 3kox h VAL 34 CO 0.09 0.01 -0.11 0.44 -1.23 0.00 0.00 177.57 176.77 3kox h ASP 35 N 0.00 -0.41 0.20 4.19 3.32 -1.02 0.89 116.42 123.59 3kox h ASP 35 Ca -0.00 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3kox h ASP 35 Cb 1.01 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 3kox h ASP 35 CO 0.00 -0.15 -0.03 1.55 -1.72 0.00 0.00 179.24 178.89 3kox h PRO 36 N -0.00 0.00 0.07 3.56 0.13 -1.75 -1.24 132.00 132.77 3kox h PRO 36 Ca 0.21 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.18 3kox h PRO 36 Cb 0.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.47 3kox h PRO 36 CO -0.45 0.03 -0.64 -0.07 -0.23 0.00 0.00 178.00 176.64 3kox h LEU 37 N 0.00 0.44 -0.52 1.56 3.38 -1.08 -2.16 115.31 116.93 3kox h LEU 37 Ca -0.00 -0.87 0.02 0.00 0.09 0.00 0.00 57.88 57.12 3kox h LEU 37 Cb 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3kox h LEU 37 CO 0.00 1.27 0.32 -0.07 0.09 0.00 0.00 178.44 180.06 3kox h LEU 38 N -0.32 0.53 -0.65 1.67 3.38 -1.15 -2.31 115.31 116.46 3kox h LEU 38 Ca -0.10 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.01 3kox h LEU 38 Cb 1.43 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 3kox h LEU 38 CO 0.12 0.37 0.06 -0.78 0.09 0.00 0.00 178.44 178.31 3kox h ASP 39 N 0.64 -0.17 -0.87 -0.43 3.58 -1.22 0.20 116.42 118.15 3kox h ASP 39 Ca 0.21 0.15 0.07 0.00 0.42 0.00 0.00 57.03 57.88 3kox h ASP 39 Cb 0.00 0.24 -0.07 0.00 1.72 0.00 0.00 39.33 41.23 3kox h ASP 39 CO -0.08 -0.08 0.53 -0.07 -2.88 0.00 0.00 179.24 176.65 3kox h LEU 40 N 0.17 0.82 -0.48 2.28 3.38 -0.92 -1.72 115.31 118.83 3kox h LEU 40 Ca 0.35 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.43 3kox h LEU 40 Cb 0.57 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3kox h LEU 40 CO -0.52 0.51 0.03 1.23 0.09 0.00 0.00 178.44 179.78 3kox h GLY 41 N 0.95 0.52 0.66 0.83 0.00 -0.15 -2.04 103.07 103.83 3kox h GLY 41 Ca 0.39 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.83 3kox h GLY 41 CO -0.19 -0.11 0.58 0.50 0.00 0.00 0.00 176.54 177.31 3kox h LYS 42 N 0.15 0.99 -0.03 4.80 6.56 -0.27 -3.30 116.57 125.47 3kox h LYS 42 Ca 0.24 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 3kox h LYS 42 Cb 0.35 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 3kox h LYS 42 CO -0.38 0.65 0.00 1.63 -2.06 0.00 0.00 179.45 179.30 3kox n LYS 43 N -4.60 1.51 -4.08 3.15 5.02 -0.94 -5.00 118.16 113.22 3kox n LYS 43 Ca 0.15 -1.58 -0.09 0.00 -2.02 0.00 0.00 58.31 54.76 3kox n LYS 43 Cb 0.22 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.49 0.62 0.38 4.39 0.01 -0.80 -5.09 114.94 112.97 3kox s ASN 44 Ca 0.21 -0.82 0.04 0.00 -0.71 0.00 0.00 52.86 51.58 3kox s ASN 44 Cb 0.15 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.91 3kox s ASN 44 CO 0.22 -0.44 0.15 0.28 -1.51 0.00 0.00 177.10 175.80 3kox s THR 45 N -2.91 0.52 0.21 1.60 -1.32 -1.26 -4.80 115.64 107.67 3kox s THR 45 Ca 0.00 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.39 3kox s THR 45 Cb 0.01 -2.41 -0.01 0.00 -1.51 0.00 0.00 72.50 68.58 3kox s THR 45 CO -0.05 0.00 0.35 0.42 -2.21 0.00 0.00 174.62 173.13 3kox s THR 46 N -3.30 0.02 0.34 5.08 -4.23 -1.26 -5.01 115.64 107.29 3kox s THR 46 Ca 0.28 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 3kox s THR 46 Cb 0.03 -2.11 0.27 0.00 1.34 0.00 0.00 72.50 72.02 3kox s THR 46 CO 0.16 -0.10 2.00 -0.65 -0.54 0.00 0.00 174.62 175.49 3kox h PRO 47 N 2.41 0.88 -0.31 3.99 0.11 -1.99 -1.85 132.00 135.25 3kox h PRO 47 Ca -0.30 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 3kox h PRO 47 Cb 1.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3kox h PRO 47 CO 0.43 0.58 -0.24 0.66 -0.21 0.00 0.00 178.00 179.23 3kox h SER 48 N 0.91 0.74 -0.68 -2.05 4.64 -1.99 -0.35 113.55 114.76 3kox h SER 48 Ca 0.25 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3kox h SER 48 Cb -0.08 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.77 3kox h SER 48 CO -0.06 1.03 0.44 0.40 -0.87 0.00 0.00 176.83 177.78 3kox h ILE 49 N 0.46 1.18 -0.13 0.95 2.04 -1.90 -1.77 117.51 118.34 3kox h ILE 49 Ca 0.06 -0.34 -0.21 0.00 1.00 0.00 0.00 64.86 65.37 3kox h ILE 49 Cb 0.79 0.19 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3kox h ILE 49 CO 0.06 0.17 -0.77 -0.33 0.00 0.00 0.00 178.15 177.28 3kox h GLU 50 N 0.92 0.67 -0.60 2.37 4.39 -1.16 -1.17 114.58 119.99 3kox h GLU 50 Ca 0.25 -0.55 0.03 0.00 0.34 0.00 0.00 59.36 59.43 3kox h GLU 50 Cb -0.09 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3kox h GLU 50 CO -0.05 1.17 0.40 0.00 -1.16 0.00 0.00 179.01 179.36 3kox h ARG 51 N 0.45 0.69 -0.01 2.33 3.08 -0.95 -1.98 114.38 117.99 3kox h ARG 51 Ca -0.05 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3kox h ARG 51 Cb 1.39 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 3kox h ARG 51 CO 0.15 0.45 -0.54 0.66 -1.07 0.00 0.00 179.97 179.62 3kox h SER 52 N 0.71 0.02 -0.02 7.04 4.64 -0.62 0.12 113.55 125.45 3kox h SER 52 Ca 0.24 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.44 3kox h SER 52 Cb 0.08 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3kox h SER 52 CO -0.06 0.56 -0.32 0.58 -0.87 0.00 0.00 176.83 176.71 3kox h VAL 53 N 0.02 1.28 -0.03 0.95 2.07 -0.74 -2.85 116.25 116.95 3kox h VAL 53 Ca -0.00 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 3kox h VAL 53 Cb 0.96 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3kox h VAL 53 CO 0.07 0.44 -0.11 -0.07 0.02 0.00 0.00 177.57 177.93 3kox h LEU 54 N 0.42 0.14 -0.82 2.57 3.38 -0.52 -2.21 115.31 118.27 3kox h LEU 54 Ca 0.05 -0.64 0.17 0.00 0.09 0.00 0.00 57.88 57.55 3kox h LEU 54 Cb 0.77 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.32 3kox h LEU 54 CO 0.06 0.76 -0.14 -0.07 0.09 0.00 0.00 178.44 179.14 3kox h LEU 55 N -0.47 -0.65 -0.01 1.67 3.38 -0.88 0.33 115.31 118.68 3kox h LEU 55 Ca -0.01 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3kox h LEU 55 Cb 0.75 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3kox h LEU 55 CO 0.02 -0.26 0.00 0.54 0.09 0.00 0.00 178.44 178.83 3kox n ARG 56 N -5.49 0.00 0.00 1.13 1.74 -1.08 -2.00 116.66 110.97 3kox n ARG 56 Ca 0.13 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.54 3kox n ARG 56 Cb 0.46 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.48 3kox n ARG 56 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kox n MET 57 N -1.51 1.54 0.00 5.56 2.81 0.11 -4.95 117.12 120.69 3kox n MET 57 Ca 0.04 -1.24 0.00 0.00 -1.81 0.00 0.00 57.70 54.69 3kox n MET 57 Cb 0.19 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 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 1.77 3.73 3.03 0.00 -0.85 -4.93 105.19 109.34 3kox n GLY 58 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.14 1.04 1.61 0.08 -1.05 -5.03 117.98 115.77 3kox s PHE 59 Ca 0.00 0.09 -0.14 0.00 0.12 0.00 0.00 56.93 57.00 3kox s PHE 59 Cb 0.00 -1.65 0.21 0.00 -0.57 0.00 0.00 43.02 41.01 3kox s PHE 59 CO 0.00 0.50 1.10 -1.54 -0.10 0.00 0.00 175.22 175.18 3kox s SER 60 N -1.98 2.29 0.35 1.36 1.04 -1.26 -4.10 113.70 111.40 3kox s SER 60 Ca 0.24 1.02 0.17 0.00 0.48 0.00 0.00 55.95 57.86 3kox s SER 60 Cb -0.12 -1.59 0.58 0.00 0.10 0.00 0.00 66.02 64.99 3kox s SER 60 CO 0.16 -3.32 1.70 0.77 0.98 0.00 0.00 173.24 173.52 3kox h SER 61 N -2.03 0.00 0.65 7.02 4.64 -1.98 -2.20 113.55 119.66 3kox h SER 61 Ca -0.53 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.67 3kox h SER 61 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 3kox h SER 61 CO 0.53 0.44 -0.56 -0.07 -0.87 0.00 0.00 176.83 176.30 3kox h LEU 62 N 0.00 0.00 0.15 5.97 3.38 -2.00 -2.11 115.31 120.70 3kox h LEU 62 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3kox h LEU 62 Cb 0.96 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.74 3kox h LEU 62 CO 0.06 0.56 -1.09 -0.33 0.09 0.00 0.00 178.44 177.73 3kox h GLU 63 N 0.00 0.48 -0.10 1.13 5.08 -1.91 -3.22 114.58 116.04 3kox h GLU 63 Ca -0.01 -0.71 -0.17 0.00 -1.00 0.00 0.00 59.36 57.47 3kox h GLU 63 Cb 1.04 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3kox h GLU 63 CO 0.07 1.32 -0.66 0.00 -1.00 0.00 0.00 179.01 178.75 3kox h ALA 64 N 0.19 0.67 -0.21 3.43 0.00 -1.27 -1.24 119.26 120.83 3kox h ALA 64 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3kox h ALA 64 Cb 1.82 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3kox h ALA 64 CO 0.21 0.74 0.14 -0.22 0.00 0.00 0.00 179.25 180.11 3kox h LYS 65 N 0.30 0.28 -0.80 0.00 3.64 -1.52 -2.33 116.57 116.14 3kox h LYS 65 Ca -0.02 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3kox h LYS 65 Cb 1.21 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 3kox h LYS 65 CO 0.11 0.20 0.33 0.00 -2.27 0.00 0.00 179.45 177.83 3kox h ALA 66 N 1.06 1.04 -0.33 5.00 0.00 -1.39 0.31 119.26 124.96 3kox h ALA 66 Ca 0.08 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3kox h ALA 66 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3kox h ALA 66 CO -0.02 0.66 -0.43 0.82 0.00 0.00 0.00 179.25 180.28 3kox h ILE 67 N 1.16 1.28 -0.12 0.00 2.04 -1.23 -2.20 117.51 118.45 3kox h ILE 67 Ca 0.27 -1.61 -0.18 0.00 1.00 0.00 0.00 64.86 64.33 3kox h ILE 67 Cb 0.21 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3kox h ILE 67 CO -0.02 0.53 -0.68 0.58 0.00 0.00 0.00 178.15 178.56 3kox h VAL 68 N 0.68 1.35 -0.05 1.67 2.07 -1.07 -1.28 116.25 119.63 3kox h VAL 68 Ca 0.05 -2.02 -0.08 0.00 0.82 0.00 0.00 66.70 65.47 3kox h VAL 68 Cb 1.01 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3kox h VAL 68 CO 0.10 0.62 -0.34 0.44 0.02 0.00 0.00 177.57 178.40 3kox h ASP 69 N 0.35 0.10 0.20 0.57 3.32 -0.27 -1.36 116.42 119.33 3kox h ASP 69 Ca -0.02 -0.03 -0.27 0.00 0.02 0.00 0.00 57.03 56.72 3kox h ASP 69 Cb 1.25 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 40.79 3kox h ASP 69 CO 0.12 0.44 -1.11 0.11 -1.72 0.00 0.00 179.24 177.08 3kox h LYS 70 N 0.09 0.56 -0.26 3.56 1.57 -1.30 -3.01 116.57 117.77 3kox h LYS 70 Ca 0.01 -0.68 -0.02 0.00 -1.87 0.00 0.00 60.65 58.10 3kox h LYS 70 Cb 0.65 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3kox h LYS 70 CO 0.05 1.28 0.08 1.15 -0.57 0.00 0.00 179.45 181.44 3kox h THR 71 N 0.28 1.12 -0.07 -0.16 2.02 -0.88 -0.73 112.91 114.48 3kox h THR 71 Ca -0.14 -0.39 -0.23 0.00 0.77 0.00 0.00 66.41 66.42 3kox h THR 71 Cb 1.78 0.83 0.01 0.00 -1.74 0.00 0.00 68.15 69.03 3kox h THR 71 CO 0.21 0.14 -0.87 0.24 0.37 0.00 0.00 175.52 175.61 3kox h MET 72 N 0.36 0.64 -0.23 6.66 2.86 -1.32 -1.29 114.93 122.61 3kox h MET 72 Ca 0.09 -0.59 0.03 0.00 -2.06 0.00 0.00 59.70 57.17 3kox h MET 72 Cb 0.11 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3kox h MET 72 CO -0.01 1.20 0.06 -0.44 1.06 0.00 0.00 176.91 178.79 3kox h ASP 73 N 0.40 0.05 -0.05 1.22 3.45 -1.25 -2.43 116.42 117.81 3kox h ASP 73 Ca -0.07 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.41 3kox h ASP 73 Cb 1.50 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.30 3kox h ASP 73 CO 0.17 0.06 0.00 0.54 -1.57 0.00 0.00 179.24 178.44 3kox n ARG 74 N -5.06 1.35 -1.98 3.56 5.12 -0.34 -4.94 116.66 114.36 3kox n ARG 74 Ca -0.02 -0.52 -0.10 0.00 -1.93 0.00 0.00 57.85 55.28 3kox n ARG 74 Cb 0.09 -1.40 -0.01 0.00 -1.16 0.00 0.00 32.46 29.98 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 1.01 0.23 0.70 -0.13 0.00 -0.92 -4.94 105.19 101.15 3kox n GLY 75 Ca 0.18 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.34 3.04 -0.29 0.99 4.32 -0.52 -4.54 117.00 118.66 3kox n LEU 76 Ca -0.11 -2.03 0.21 0.00 -0.02 0.00 0.00 56.01 54.05 3kox n LEU 76 Cb 0.53 -0.26 0.50 0.00 -1.62 0.00 0.00 43.42 42.56 3kox n LEU 76 CO 0.14 0.75 1.22 0.24 -1.22 0.00 0.00 177.39 178.52 3kox h MET 77 N 2.18 0.41 0.00 3.23 2.86 -1.91 0.15 114.93 121.86 3kox h MET 77 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kox h MET 77 Cb 0.78 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3kox h MET 77 CO 0.01 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.66 3kox n GLY 78 N -1.49 -0.82 0.09 8.32 0.00 -1.26 -1.60 105.19 108.43 3kox n GLY 78 Ca 0.22 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.16 0.64 0.00 1.61 4.76 0.53 -5.07 118.16 118.46 3kox n LYS 79 Ca -0.01 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3kox n LYS 79 Cb 0.03 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 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 1.53 1.56 0.34 0.72 0.00 -0.63 -4.60 105.19 104.11 3kox n GLY 80 Ca -0.17 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 2.09 0.11 4.61 0.00 -1.83 0.72 119.26 124.96 3kox h ALA 81 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kox h ALA 81 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kox h ALA 81 CO 0.00 -0.20 -0.05 0.78 0.00 0.00 0.00 179.25 179.77 3kox h GLY 82 N 0.28 -0.16 -0.32 0.00 0.00 -1.92 -1.96 103.07 98.98 3kox h GLY 82 Ca 0.22 0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.70 3kox h GLY 82 CO -0.05 -0.06 -0.37 0.84 0.00 0.00 0.00 176.54 176.91 3kox h HIS 83 N -0.35 -1.05 -0.18 5.60 6.17 -1.34 0.13 115.15 124.13 3kox h HIS 83 Ca -0.02 0.07 0.05 0.00 0.71 0.00 0.00 60.37 61.18 3kox h HIS 83 Cb 0.29 0.53 -0.05 0.00 2.52 0.00 0.00 27.41 30.70 3kox h HIS 83 CO -0.01 -0.40 -0.13 0.82 0.71 0.00 0.00 177.93 178.92 3kox h ILE 84 N -0.24 0.64 -0.92 6.26 1.08 -0.88 0.25 117.51 123.69 3kox h ILE 84 Ca 0.18 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.71 3kox h ILE 84 Cb 0.56 0.64 -0.06 0.00 -3.07 0.00 0.00 36.82 34.88 3kox h ILE 84 CO -0.61 0.00 0.59 0.58 -0.69 0.00 0.00 178.15 178.02 3kox h VAL 85 N -0.13 1.10 0.64 1.67 2.07 -0.48 -2.10 116.25 119.02 3kox h VAL 85 Ca 0.11 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3kox h VAL 85 Cb 0.28 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3kox h VAL 85 CO -0.25 0.20 -0.31 0.22 0.02 0.00 0.00 177.57 177.45 3kox h TYR 86 N 1.10 -0.80 -0.68 1.57 3.20 0.19 -2.24 116.97 119.31 3kox h TYR 86 Ca 0.39 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.37 3kox h TYR 86 Cb 0.11 0.26 -0.13 0.00 1.54 0.00 0.00 36.73 38.51 3kox h TYR 86 CO -0.02 -0.48 -0.27 0.87 -1.64 0.00 0.00 178.16 176.62 3kox h LYS 87 N -1.20 -0.08 -0.72 1.82 1.79 -0.62 -0.87 116.57 116.68 3kox h LYS 87 Ca -0.09 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.43 3kox h LYS 87 Cb 0.68 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.30 3kox h LYS 87 CO 0.15 -0.05 0.48 0.82 -1.08 0.00 0.00 179.45 179.76 3kox h ILE 88 N -0.08 1.08 -0.15 1.86 1.08 -1.29 -0.17 117.51 119.84 3kox h ILE 88 Ca 0.29 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3kox h ILE 88 Cb 0.55 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 3kox h ILE 88 CO -0.73 0.15 0.04 0.00 -0.69 0.00 0.00 178.15 176.92 3kox h ALA 89 N 1.59 0.19 0.28 1.87 0.00 -0.55 -2.52 119.26 120.12 3kox h ALA 89 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kox h ALA 89 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kox h ALA 89 CO -0.09 -0.17 -0.13 0.87 0.00 0.00 0.00 179.25 179.72 3kox h LYS 90 N 0.05 -0.36 0.00 0.00 1.57 -0.68 0.16 116.57 117.31 3kox h LYS 90 Ca 0.05 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3kox h LYS 90 Cb 0.25 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3kox h LYS 90 CO 0.00 -0.16 -0.12 0.93 -0.57 0.00 0.00 179.45 179.53 3kox h GLU 91 N -0.49 0.00 -0.02 3.15 4.39 -1.07 0.02 114.58 120.57 3kox h GLU 91 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kox h GLU 91 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3kox h GLU 91 CO 0.06 0.12 -0.36 1.63 -1.16 0.00 0.00 179.01 179.30 3kox n LYS 92 N -3.39 1.48 -3.11 2.33 4.76 -0.95 -5.02 118.16 114.25 3kox n LYS 92 Ca -0.01 -1.16 -0.13 0.00 -2.87 0.00 0.00 58.31 54.14 3kox n LYS 92 Cb 0.30 -1.44 0.07 0.00 -1.84 0.00 0.00 35.03 32.12 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 0.24 -2.47 -4.27 4.39 4.05 0.31 -5.03 115.26 112.48 3kox n ASN 93 Ca 0.10 -0.50 -0.15 0.00 0.45 0.00 0.00 54.58 54.48 3kox n ASN 93 Cb 0.48 -4.21 -0.10 0.00 1.23 0.00 0.00 39.78 37.17 3kox n ASN 93 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 3kox s ILE 94 N -3.29 0.33 0.44 -1.44 -4.36 0.19 -5.03 121.20 108.05 3kox s ILE 94 Ca 0.04 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.20 3kox s ILE 94 Cb -0.01 -2.58 -0.08 0.00 1.25 0.00 0.00 42.46 41.05 3kox s ILE 94 CO 0.58 -0.00 1.13 -0.94 0.24 0.00 0.00 174.94 175.95 3kox s SER 95 N -3.25 6.34 0.33 4.36 1.04 -1.26 -4.42 113.70 116.84 3kox s SER 95 Ca 0.38 2.23 0.10 0.00 0.48 0.00 0.00 55.95 59.15 3kox s SER 95 Cb 0.07 -2.60 0.98 0.00 0.10 0.00 0.00 66.02 64.58 3kox s SER 95 CO 0.13 -0.79 1.64 0.58 0.98 0.00 0.00 173.24 175.77 3kox h VAL 96 N 1.97 0.23 0.00 5.02 2.07 -1.92 0.42 116.25 124.05 3kox h VAL 96 Ca -0.49 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 3kox h VAL 96 Cb 1.24 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3kox h VAL 96 CO 0.61 0.04 -0.58 0.03 0.02 0.00 0.00 177.57 177.69 3kox h ARG 97 N 0.21 0.00 0.37 1.57 3.08 -1.91 -1.34 114.38 116.37 3kox h ARG 97 Ca 0.68 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.72 3kox h ARG 97 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 3kox h ARG 97 CO -0.68 0.58 -0.18 0.93 -1.07 0.00 0.00 179.97 179.55 3kox h GLU 98 N 0.00 -0.49 -0.29 0.04 4.39 -0.57 0.21 114.58 117.88 3kox h GLU 98 Ca -0.01 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.79 3kox h GLU 98 Cb 1.05 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.74 3kox h GLU 98 CO 0.08 -0.33 -0.29 0.00 -1.16 0.00 0.00 179.01 177.31 3kox h ALA 99 N 0.12 -0.19 -0.18 3.43 0.00 -1.05 -1.99 119.26 119.40 3kox h ALA 99 Ca -0.05 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kox h ALA 99 Cb 0.39 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kox h ALA 99 CO 0.08 -0.71 -0.14 0.78 0.00 0.00 0.00 179.25 179.26 3kox h GLY 100 N -0.28 0.45 0.52 0.00 0.00 -1.18 -0.65 103.07 101.92 3kox h GLY 100 Ca 0.15 -0.44 0.07 0.00 0.00 0.00 0.00 47.33 47.11 3kox h GLY 100 CO -0.44 0.40 0.21 1.41 0.00 0.00 0.00 176.54 178.11 3kox h LEU 101 N 0.07 0.23 0.03 3.11 4.07 -0.41 -1.82 115.31 120.59 3kox h LEU 101 Ca 0.03 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3kox h LEU 101 Cb 0.67 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3kox h LEU 101 CO 0.04 0.15 -0.02 0.00 -1.08 0.00 0.00 178.44 177.54 3kox h ALA 102 N 1.35 -0.04 -0.35 1.53 0.00 -1.27 -2.73 119.26 117.74 3kox h ALA 102 Ca 0.26 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.14 3kox h ALA 102 Cb 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kox h ALA 102 CO -0.25 -0.40 0.39 -0.07 0.00 0.00 0.00 179.25 178.92 3kox h LEU 103 N -0.30 0.00 -0.29 0.00 3.38 -0.75 -0.55 115.31 116.80 3kox h LEU 103 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kox h LEU 103 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kox h LEU 103 CO 0.01 0.00 -0.15 -1.54 0.09 0.00 0.00 178.44 176.85 3kox n SER 104 N -3.71 0.60 -1.43 -0.43 3.41 -0.72 -3.25 113.62 108.09 3kox n SER 104 Ca 0.06 -0.62 0.01 0.00 -0.26 0.00 0.00 58.87 58.06 3kox n SER 104 Cb 0.55 -0.03 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.90 1.14 -0.39 4.33 1.02 -0.24 -4.72 120.64 120.89 3kox n GLU 105 Ca 0.14 -2.87 0.00 0.00 -0.02 0.00 0.00 57.16 54.41 3kox n GLU 105 Cb 0.30 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 -0.32 0.84 3.90 0.62 0.00 -1.10 -5.03 105.19 104.10 3kox n GLY 106 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.54 3.58 0.00 1.61 1.02 -1.03 -4.32 119.74 120.06 3kox s LYS 107 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.83 3kox s LYS 107 Cb 0.00 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3kox s LYS 107 CO 0.00 0.52 0.00 0.66 -0.92 0.00 0.00 175.35 175.61 3kox n TYR 108 N 0.25 0.00 0.12 3.18 4.01 -1.26 -3.65 117.16 119.81 3kox n TYR 108 Ca -0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.69 3kox n TYR 108 Cb 0.52 -1.21 0.26 0.00 -0.31 0.00 0.00 39.34 38.60 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 0.18 -0.27 -0.72 4.06 -1.94 -0.97 115.95 116.29 3kox h TRP 109 Ca 0.00 -0.05 0.07 0.00 2.06 0.00 0.00 58.89 60.97 3kox h TRP 109 Cb 0.46 -0.04 -0.07 0.00 -1.00 0.00 0.00 29.16 28.51 3kox h TRP 109 CO 0.29 0.55 -0.24 -0.44 -3.56 0.00 0.00 178.44 175.04 3kox h ASP 110 N 0.13 -0.77 -0.82 -3.49 5.19 -1.90 -2.13 116.42 112.63 3kox h ASP 110 Ca 0.01 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 3kox h ASP 110 Cb 0.79 0.37 -0.04 0.00 0.18 0.00 0.00 39.33 40.63 3kox h ASP 110 CO 0.06 -0.27 0.41 0.44 -3.12 0.00 0.00 179.24 176.76 3kox h ASP 111 N -0.23 1.05 -0.16 6.45 3.32 -1.73 -0.16 116.42 124.97 3kox h ASP 111 Ca 0.15 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3kox h ASP 111 Cb 0.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3kox h ASP 111 CO -0.40 0.88 0.10 0.00 -1.72 0.00 0.00 179.24 178.10 3kox h ALA 112 N 1.22 0.20 -0.45 3.45 0.00 -1.09 -2.93 119.26 119.65 3kox h ALA 112 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3kox h ALA 112 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kox h ALA 112 CO -0.04 -0.32 0.20 0.82 0.00 0.00 0.00 179.25 179.91 3kox h ILE 113 N 0.21 1.20 0.00 0.00 2.04 -1.13 -3.52 117.51 116.31 3kox h ILE 113 Ca 0.06 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3kox h ILE 113 Cb -0.02 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3kox h ILE 113 CO -0.02 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.35