#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3de9 s ASP 2 N 0.00 6.49 0.19 0.00 1.47 -1.26 -4.84 116.67 118.72 3de9 s ASP 2 Ca 0.00 1.38 -0.14 0.00 1.18 0.00 0.00 52.55 54.97 3de9 s ASP 2 Cb 0.00 -2.43 0.18 0.00 -0.34 0.00 0.00 42.92 40.33 3de9 s ASP 2 CO 0.00 -0.60 1.66 0.25 0.68 0.00 0.00 175.17 177.16 3de9 h LEU 3 N 0.69 -0.39 -0.77 2.11 6.46 -1.92 -1.84 115.31 119.64 3de9 h LEU 3 Ca -0.46 0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.37 3de9 h LEU 3 Cb 1.19 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 41.38 3de9 h LEU 3 CO 0.62 -0.14 0.14 -0.33 -0.62 0.00 0.00 178.44 178.11 3de9 h GLU 4 N 0.04 1.06 -0.08 1.25 3.07 -1.99 -0.87 114.58 117.06 3de9 h GLU 4 Ca 0.25 -0.26 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 3de9 h GLU 4 Cb 0.39 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3de9 h GLU 4 CO -0.50 0.96 -0.48 -0.44 -1.40 0.00 0.00 179.01 177.14 3de9 h ASP 5 N 1.00 0.21 -0.25 1.42 3.32 -1.82 -1.98 116.42 118.32 3de9 h ASP 5 Ca 0.21 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3de9 h ASP 5 Cb 0.39 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3de9 h ASP 5 CO 0.01 0.66 -0.14 0.78 -1.72 0.00 0.00 179.24 178.83 3de9 h ASN 6 N 0.16 0.66 0.57 6.45 2.35 -0.74 0.13 115.58 125.16 3de9 h ASN 6 Ca 0.01 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.46 3de9 h ASN 6 Cb 0.91 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 3de9 h ASN 6 CO 0.07 0.82 -0.46 0.24 -1.65 0.00 0.00 177.43 176.46 3de9 h MET 7 N 0.61 0.00 -0.07 0.81 2.86 -0.87 0.32 114.93 118.59 3de9 h MET 7 Ca 0.10 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.50 3de9 h MET 7 Cb 0.59 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.26 3de9 h MET 7 CO 0.04 0.46 -0.93 1.49 1.06 0.00 0.00 176.91 179.03 3de9 h GLU 8 N 0.00 0.73 0.20 1.72 4.81 -1.05 0.38 114.58 121.38 3de9 h GLU 8 Ca -0.00 -0.69 0.01 0.00 -0.13 0.00 0.00 59.36 58.54 3de9 h GLU 8 Cb 0.87 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3de9 h GLU 8 CO 0.06 1.28 -0.24 1.15 -0.73 0.00 0.00 179.01 180.54 3de9 h THR 9 N 0.45 0.49 -0.31 0.32 2.02 -0.36 0.41 112.91 115.92 3de9 h THR 9 Ca -0.09 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.16 3de9 h THR 9 Cb 1.57 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 68.38 3de9 h THR 9 CO 0.18 0.00 -0.22 -0.07 0.37 0.00 0.00 175.52 175.78 3de9 h LEU 10 N -0.49 -0.74 0.17 2.58 4.07 -0.40 -1.79 115.31 118.72 3de9 h LEU 10 Ca 0.00 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 3de9 h LEU 10 Cb 0.47 0.37 0.00 0.00 1.08 0.00 0.00 40.66 42.58 3de9 h LEU 10 CO -0.08 -0.26 -0.08 -1.13 -1.08 0.00 0.00 178.44 175.81 3de9 h ASN 11 N -0.20 -0.20 -0.06 -0.43 -1.24 -0.74 -2.86 115.58 109.85 3de9 h ASN 11 Ca 0.16 -0.13 0.04 0.00 0.71 0.00 0.00 56.30 57.08 3de9 h ASN 11 Cb 0.44 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.50 3de9 h ASN 11 CO -0.43 0.01 -0.24 0.44 -1.29 0.00 0.00 177.43 175.92 3de9 h ASP 12 N -0.40 -0.73 -0.03 1.15 3.45 -0.12 -2.65 116.42 117.09 3de9 h ASP 12 Ca -0.02 0.11 0.01 0.00 0.43 0.00 0.00 57.03 57.55 3de9 h ASP 12 Cb 0.31 0.31 -0.00 0.00 -0.56 0.00 0.00 39.33 39.39 3de9 h ASP 12 CO 0.04 -0.30 0.03 0.78 -1.57 0.00 0.00 179.24 178.22 3de9 h ASN 13 N -0.34 0.00 -0.76 6.45 4.21 -1.35 -0.65 115.58 123.13 3de9 h ASN 13 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 3de9 h ASN 13 Cb 0.46 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.62 3de9 h ASN 13 CO -0.26 0.00 0.49 0.25 -1.29 0.00 0.00 177.43 176.62 3de9 h LEU 14 N 0.00 0.90 -0.31 1.61 5.85 -1.23 -2.13 115.31 120.00 3de9 h LEU 14 Ca 0.02 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 3de9 h LEU 14 Cb 0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3de9 h LEU 14 CO -0.00 0.67 -0.24 0.11 -0.34 0.00 0.00 178.44 178.64 3de9 h LYS 15 N 1.04 0.71 -0.97 1.25 1.57 -1.05 -2.72 116.57 116.40 3de9 h LYS 15 Ca 0.28 -0.35 0.19 0.00 -1.87 0.00 0.00 60.65 58.90 3de9 h LYS 15 Cb -0.08 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.14 3de9 h LYS 15 CO -0.06 0.96 0.61 0.28 -0.57 0.00 0.00 179.45 180.68 3de9 h VAL 16 N 0.46 0.71 -0.00 0.50 2.07 -1.02 -2.80 116.25 116.17 3de9 h VAL 16 Ca 0.06 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3de9 h VAL 16 Cb 0.80 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3de9 h VAL 16 CO 0.06 0.12 -0.07 0.40 0.02 0.00 0.00 177.57 178.11 3de9 h ILE 17 N 0.65 1.60 0.00 4.57 1.08 -1.31 -2.65 117.51 121.45 3de9 h ILE 17 Ca 0.54 -1.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.16 3de9 h ILE 17 Cb 0.97 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 3de9 h ILE 17 CO -0.30 0.49 0.00 -0.33 -0.69 0.00 0.00 178.15 177.32 3de9 h GLU 18 N -0.70 0.00 -0.41 2.37 5.08 -1.33 -0.61 114.58 118.99 3de9 h GLU 18 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3de9 h GLU 18 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3de9 h GLU 18 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3de9 n LYS 19 N -2.81 2.86 -2.43 2.33 5.02 -1.07 -5.08 118.16 116.99 3de9 n LYS 19 Ca -0.00 -2.16 -0.34 0.00 -2.02 0.00 0.00 58.31 53.79 3de9 n LYS 19 Cb 0.20 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 3de9 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3de9 s ALA 20 N -1.03 2.81 -0.05 7.82 0.00 -0.24 -4.98 121.76 126.09 3de9 s ALA 20 Ca 0.27 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.71 3de9 s ALA 20 Cb 0.14 -3.29 -0.31 0.00 0.00 0.00 0.00 23.12 19.66 3de9 s ALA 20 CO 0.18 -0.49 0.84 -0.44 0.00 0.00 0.00 175.76 175.85 3de9 h ASP 21 N 1.39 0.50 -5.53 0.00 3.45 -1.90 -3.50 116.42 110.83 3de9 h ASP 21 Ca -0.50 -0.93 -0.21 0.00 0.43 0.00 0.00 57.03 55.82 3de9 h ASP 21 Cb 1.23 -0.16 -0.14 0.00 -0.56 0.00 0.00 39.33 39.70 3de9 h ASP 21 CO 0.58 1.48 -0.58 0.54 -1.57 0.00 0.00 179.24 179.70 3de9 s ASN 22 N -7.06 0.15 0.18 6.45 2.20 -1.26 -5.06 114.94 110.53 3de9 s ASN 22 Ca -0.14 -1.31 -0.14 0.00 -0.94 0.00 0.00 52.86 50.33 3de9 s ASN 22 Cb 0.02 0.38 0.13 0.00 -2.00 0.00 0.00 41.25 39.78 3de9 s ASN 22 CO 0.83 -0.85 1.77 0.00 -2.94 0.00 0.00 177.10 175.91 3de9 h ALA 23 N 2.63 0.58 -0.50 3.54 0.00 -1.93 -2.54 119.26 121.04 3de9 h ALA 23 Ca -0.35 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3de9 h ALA 23 Cb 1.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3de9 h ALA 23 CO 0.52 -0.17 0.25 0.00 0.00 0.00 0.00 179.25 179.86 3de9 h ALA 24 N 1.28 1.50 -0.12 0.00 0.00 -1.98 0.24 119.26 120.18 3de9 h ALA 24 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3de9 h ALA 24 Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3de9 h ALA 24 CO -0.18 0.41 0.02 1.96 0.00 0.00 0.00 179.25 181.45 3de9 h GLN 25 N 0.70 0.20 -0.04 0.00 4.20 -1.91 -1.82 115.11 116.45 3de9 h GLN 25 Ca 0.18 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.86 3de9 h GLN 25 Cb 0.06 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3de9 h GLN 25 CO -0.03 0.41 -0.12 0.28 -0.67 0.00 0.00 178.83 178.71 3de9 h VAL 26 N -0.03 0.69 -0.53 -0.54 2.07 -1.01 -2.30 116.25 114.60 3de9 h VAL 26 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3de9 h VAL 26 Cb 0.31 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3de9 h VAL 26 CO 0.00 0.00 0.28 0.11 0.02 0.00 0.00 177.57 177.99 3de9 h LYS 27 N -0.18 0.53 -0.39 1.57 1.57 -0.48 -0.82 116.57 118.37 3de9 h LYS 27 Ca 0.06 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3de9 h LYS 27 Cb 0.26 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3de9 h LYS 27 CO -0.15 0.35 0.16 0.22 -0.57 0.00 0.00 179.45 179.47 3de9 h ASP 28 N 0.55 0.20 -0.28 0.86 1.82 -1.29 0.24 116.42 118.52 3de9 h ASP 28 Ca 0.23 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.84 3de9 h ASP 28 Cb 0.11 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 3de9 h ASP 28 CO -0.14 0.15 -0.08 0.00 -1.61 0.00 0.00 179.24 177.56 3de9 h ALA 29 N 1.24 0.39 -0.78 -0.78 0.00 -0.88 -1.86 119.26 116.59 3de9 h ALA 29 Ca 0.18 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3de9 h ALA 29 Cb 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3de9 h ALA 29 CO -0.16 0.22 0.50 -0.07 0.00 0.00 0.00 179.25 179.74 3de9 h LEU 30 N 0.31 0.84 -0.27 0.00 3.38 -1.01 0.23 115.31 118.79 3de9 h LEU 30 Ca 0.07 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3de9 h LEU 30 Cb 0.57 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3de9 h LEU 30 CO 0.03 0.59 0.01 0.74 0.09 0.00 0.00 178.44 179.89 3de9 h THR 31 N 0.99 0.82 -0.52 0.22 2.02 -0.79 0.99 112.91 116.64 3de9 h THR 31 Ca 0.30 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 3de9 h THR 31 Cb -0.02 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3de9 h THR 31 CO -0.10 0.02 0.18 0.11 0.37 0.00 0.00 175.52 176.10 3de9 h LYS 32 N 0.09 0.76 -0.34 6.66 1.57 -0.78 -2.22 116.57 122.30 3de9 h LYS 32 Ca 0.13 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 3de9 h LYS 32 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3de9 h LYS 32 CO -0.21 0.64 -0.34 0.52 -0.57 0.00 0.00 179.45 179.49 3de9 h MET 33 N 0.74 0.77 0.01 3.15 2.86 0.21 -2.35 114.93 120.33 3de9 h MET 33 Ca 0.18 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3de9 h MET 33 Cb 0.19 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3de9 h MET 33 CO -0.01 1.00 -0.04 -0.09 1.06 0.00 0.00 176.91 178.83 3de9 h ARG 34 N 0.65 -0.07 -0.45 1.72 2.43 -0.50 0.17 114.38 118.32 3de9 h ARG 34 Ca 0.07 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.33 3de9 h ARG 34 Cb 0.88 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.37 3de9 h ARG 34 CO 0.08 -0.05 -0.09 0.00 -1.51 0.00 0.00 179.97 178.40 3de9 h ALA 35 N 0.91 0.33 -0.36 2.80 0.00 -1.37 -1.36 119.26 120.21 3de9 h ALA 35 Ca 0.01 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3de9 h ALA 35 Cb 0.09 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3de9 h ALA 35 CO -0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 179.25 178.77 3de9 h ALA 36 N 1.44 0.48 -0.32 0.00 0.00 -1.05 -1.26 119.26 118.56 3de9 h ALA 36 Ca 0.22 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3de9 h ALA 36 Cb 0.33 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 3de9 h ALA 36 CO -0.44 0.27 -0.20 0.00 0.00 0.00 0.00 179.25 178.87 3de9 h ALA 37 N 0.86 0.01 -0.59 0.00 0.00 -0.78 0.45 119.26 119.20 3de9 h ALA 37 Ca 0.10 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3de9 h ALA 37 Cb 0.48 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3de9 h ALA 37 CO 0.02 -0.60 0.14 -0.07 0.00 0.00 0.00 179.25 178.75 3de9 h LEU 38 N -0.17 0.87 -0.09 0.00 3.38 -1.04 -0.83 115.31 117.43 3de9 h LEU 38 Ca 0.16 -0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 3de9 h LEU 38 Cb 0.42 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3de9 h LEU 38 CO -0.42 0.84 -0.84 -0.78 0.09 0.00 0.00 178.44 177.34 3de9 h ASP 39 N 0.89 0.89 -0.30 -0.43 3.58 -0.82 -3.07 116.42 117.16 3de9 h ASP 39 Ca 0.19 -0.67 0.01 0.00 0.42 0.00 0.00 57.03 56.98 3de9 h ASP 39 Cb 0.32 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3de9 h ASP 39 CO -0.00 1.43 0.20 0.00 -2.88 0.00 0.00 179.24 177.99 3de9 h ALA 40 N 0.48 1.81 0.00 -0.78 0.00 -0.03 -2.73 119.26 118.01 3de9 h ALA 40 Ca -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3de9 h ALA 40 Cb 1.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3de9 h ALA 40 CO 0.17 0.17 -0.02 0.37 0.00 0.00 0.00 179.25 179.93 3de9 h GLN 41 N 0.38 0.00 0.00 0.00 4.15 -1.05 -2.38 115.11 116.22 3de9 h GLN 41 Ca 0.11 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 3de9 h GLN 41 Cb -0.01 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 3de9 h GLN 41 CO -0.02 0.02 -0.13 1.57 -1.93 0.00 0.00 178.83 178.34 3de9 h LYS 42 N 0.00 0.00 -7.23 1.69 2.10 -1.54 -3.45 116.57 108.13 3de9 h LYS 42 Ca -0.00 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.15 3de9 h LYS 42 Cb 0.06 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 31.46 3de9 h LYS 42 CO 0.00 0.13 0.38 0.00 -2.00 0.00 0.00 179.45 177.96 3de9 s ALA 43 N -3.28 2.75 -0.19 0.07 0.00 -0.90 -5.06 121.76 115.15 3de9 s ALA 43 Ca 0.05 0.30 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 3de9 s ALA 43 Cb 0.07 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 3de9 s ALA 43 CO 0.66 -0.88 0.01 0.99 0.00 0.00 0.00 175.76 176.55 3de9 s THR 44 N -2.61 4.21 0.19 0.00 2.01 -1.26 -5.05 115.64 113.13 3de9 s THR 44 Ca 0.62 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 3de9 s THR 44 Cb -0.15 -2.89 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 3de9 s THR 44 CO 0.41 0.45 0.55 -2.16 -0.69 0.00 0.00 174.62 173.18 3de9 s PRO 45 N 0.69 3.89 0.02 4.92 0.04 -1.26 -4.88 135.00 138.41 3de9 s PRO 45 Ca 0.01 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.40 3de9 s PRO 45 Cb -0.14 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.62 3de9 s PRO 45 CO 0.02 0.39 0.69 -2.30 0.04 0.00 0.00 177.00 175.84 3de9 n PRO 46 N 0.30 -0.05 -0.02 0.56 -0.02 -1.26 0.01 135.00 134.52 3de9 n PRO 46 Ca -0.02 0.68 0.20 0.00 -2.02 0.00 0.00 63.50 62.34 3de9 n PRO 46 Cb 0.52 -1.02 0.38 0.00 -0.02 0.00 0.00 33.50 33.36 3de9 n PRO 46 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3de9 h LYS 47 N 0.00 0.00 -0.11 -0.52 3.64 -1.95 0.10 116.57 117.73 3de9 h LYS 47 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3de9 h LYS 47 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3de9 h LYS 47 CO -0.10 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.36 3de9 n LEU 48 N -3.09 2.75 0.30 5.20 4.77 0.10 -4.66 117.00 122.37 3de9 n LEU 48 Ca 0.15 -2.72 0.16 0.00 -0.03 0.00 0.00 56.01 53.57 3de9 n LEU 48 Cb 1.25 -0.35 0.83 0.00 -2.33 0.00 0.00 43.42 42.82 3de9 n LEU 48 CO 0.18 0.66 1.14 -0.33 -1.33 0.00 0.00 177.39 177.70 3de9 h GLU 49 N 0.72 0.00 -0.55 3.23 5.08 -0.58 -2.36 114.58 120.13 3de9 h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3de9 h GLU 49 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3de9 h GLU 49 CO 0.06 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.67 3de9 n ASP 50 N -3.03 2.99 -4.43 1.42 3.85 -1.26 -4.93 116.55 111.16 3de9 n ASP 50 Ca -0.01 -2.09 -0.30 0.00 -0.71 0.00 0.00 54.79 51.69 3de9 n ASP 50 Cb 0.40 -0.39 -0.13 0.00 -1.35 0.00 0.00 41.12 39.65 3de9 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3de9 s LYS 51 N -1.43 1.76 0.67 0.11 -0.14 -0.89 -5.12 119.74 114.70 3de9 s LYS 51 Ca 0.35 -1.16 -0.11 0.00 -1.36 0.00 0.00 55.97 53.69 3de9 s LYS 51 Cb 0.20 -2.06 -0.01 0.00 -1.68 0.00 0.00 37.83 34.28 3de9 s LYS 51 CO 0.22 0.49 1.05 -1.54 -0.76 0.00 0.00 175.35 174.81 3de9 s SER 52 N -1.80 5.68 0.33 2.83 1.04 -1.26 -4.92 113.70 115.59 3de9 s SER 52 Ca 0.15 1.56 0.24 0.00 0.48 0.00 0.00 55.95 58.38 3de9 s SER 52 Cb -0.10 -2.49 1.19 0.00 0.10 0.00 0.00 66.02 64.72 3de9 s SER 52 CO 0.07 -1.24 1.72 -0.65 0.98 0.00 0.00 173.24 174.11 3de9 h PRO 53 N -0.54 0.00 -0.37 4.02 0.11 -2.00 -1.94 132.00 131.28 3de9 h PRO 53 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3de9 h PRO 53 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3de9 h PRO 53 CO 0.58 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.12 3de9 n ASP 54 N -2.31 4.34 -4.73 -2.05 9.92 -1.26 -4.46 116.55 115.99 3de9 n ASP 54 Ca -0.01 -2.90 -0.33 0.00 -0.53 0.00 0.00 54.79 51.03 3de9 n ASP 54 Cb 0.10 -0.56 0.10 0.00 -0.64 0.00 0.00 41.12 40.11 3de9 n ASP 54 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3de9 s SER 55 N -1.53 4.19 0.54 -2.24 1.04 -0.73 -4.86 113.70 110.10 3de9 s SER 55 Ca 0.45 2.14 0.21 0.00 0.48 0.00 0.00 55.95 59.22 3de9 s SER 55 Cb 0.35 -2.56 1.41 0.00 0.10 0.00 0.00 66.02 65.32 3de9 s SER 55 CO 0.12 -2.26 2.14 1.55 0.98 0.00 0.00 173.24 175.78 3de9 h PRO 56 N -0.71 0.00 0.06 4.02 0.13 -1.94 -1.87 132.00 131.70 3de9 h PRO 56 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 3de9 h PRO 56 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 3de9 h PRO 56 CO 0.49 0.00 -1.13 0.93 -0.23 0.00 0.00 178.00 178.06 3de9 h GLU 57 N 0.00 0.60 -0.52 0.86 3.07 -1.93 -0.91 114.58 115.74 3de9 h GLU 57 Ca 0.04 -0.73 -0.11 0.00 -0.50 0.00 0.00 59.36 58.06 3de9 h GLU 57 Cb 0.19 0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3de9 h GLU 57 CO -0.00 1.31 -0.12 0.52 -1.40 0.00 0.00 179.01 179.32 3de9 h MET 58 N 0.30 0.99 0.22 2.33 2.86 -1.80 0.28 114.93 120.11 3de9 h MET 58 Ca -0.15 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.13 3de9 h MET 58 Cb 1.80 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 33.36 3de9 h MET 58 CO 0.21 1.04 -0.39 1.25 1.06 0.00 0.00 176.91 180.09 3de9 h HIS 59 N 0.88 -1.08 -0.94 -0.22 6.17 -1.34 -0.44 115.15 118.17 3de9 h HIS 59 Ca 0.13 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.23 3de9 h HIS 59 Cb 0.68 0.44 -0.05 0.00 2.52 0.00 0.00 27.41 31.01 3de9 h HIS 59 CO 0.04 -0.51 0.58 0.22 0.71 0.00 0.00 177.93 178.97 3de9 h ASP 60 N -0.69 1.13 -0.41 3.26 3.58 -1.08 -0.86 116.42 121.34 3de9 h ASP 60 Ca 0.00 -0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.43 3de9 h ASP 60 Cb 0.67 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 3de9 h ASP 60 CO -0.17 0.86 0.20 0.15 -2.88 0.00 0.00 179.24 177.40 3de9 h PHE 61 N 1.30 0.37 -0.27 0.28 3.57 -0.26 -2.58 116.94 119.34 3de9 h PHE 61 Ca 0.34 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 3de9 h PHE 61 Cb -0.07 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3de9 h PHE 61 CO 0.00 0.18 -0.26 0.00 -2.23 0.00 0.00 178.31 176.01 3de9 h ARG 62 N 0.40 0.53 -0.13 1.11 3.08 -0.45 -2.72 114.38 116.20 3de9 h ARG 62 Ca 0.18 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3de9 h ARG 62 Cb 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3de9 h ARG 62 CO -0.13 0.74 0.10 0.45 -1.07 0.00 0.00 179.97 180.07 3de9 h HIS 63 N 0.47 0.00 -0.40 3.04 3.86 -0.79 -2.25 115.15 119.07 3de9 h HIS 63 Ca 0.07 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3de9 h HIS 63 Cb 0.69 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 3de9 h HIS 63 CO 0.03 0.00 0.17 0.78 0.86 0.00 0.00 177.93 179.76 3de9 h GLY 64 N 0.00 0.61 1.71 2.45 0.00 -1.22 -1.95 103.07 104.67 3de9 h GLY 64 Ca 0.06 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 3de9 h GLY 64 CO -0.00 0.27 -0.75 0.74 0.00 0.00 0.00 176.54 176.80 3de9 h PHE 65 N 0.57 0.38 -0.56 5.60 -1.00 -1.53 -2.70 116.94 117.70 3de9 h PHE 65 Ca 0.14 -0.18 0.02 0.00 2.81 0.00 0.00 57.97 60.76 3de9 h PHE 65 Cb 0.11 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.58 3de9 h PHE 65 CO 0.01 0.92 0.35 -0.44 -1.61 0.00 0.00 178.31 177.54 3de9 h ASP 66 N 0.18 0.58 -0.59 2.17 3.45 -1.27 -0.52 116.42 120.42 3de9 h ASP 66 Ca -0.03 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.39 3de9 h ASP 66 Cb 1.32 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.93 3de9 h ASP 66 CO 0.12 0.41 0.24 0.40 -1.57 0.00 0.00 179.24 178.84 3de9 h ILE 67 N 0.70 1.23 -0.59 0.35 1.08 -1.38 -1.36 117.51 117.54 3de9 h ILE 67 Ca 0.22 -0.71 -0.04 0.00 -0.39 0.00 0.00 64.86 63.94 3de9 h ILE 67 Cb -0.02 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 3de9 h ILE 67 CO -0.08 0.28 0.22 0.25 -0.69 0.00 0.00 178.15 178.13 3de9 h LEU 68 N 0.82 0.82 -0.64 1.44 5.85 -1.12 -2.37 115.31 120.10 3de9 h LEU 68 Ca 0.20 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3de9 h LEU 68 Cb 0.20 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3de9 h LEU 68 CO -0.02 0.78 0.10 0.58 -0.34 0.00 0.00 178.44 179.54 3de9 h VAL 69 N 0.82 1.26 -0.32 1.05 2.07 -0.75 -0.48 116.25 119.90 3de9 h VAL 69 Ca 0.19 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3de9 h VAL 69 Cb 0.22 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3de9 h VAL 69 CO -0.01 0.39 0.18 1.23 0.02 0.00 0.00 177.57 179.37 3de9 h GLY 70 N 0.99 0.47 1.00 2.17 0.00 -1.14 -1.82 103.07 104.74 3de9 h GLY 70 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3de9 h GLY 70 CO 0.01 0.20 0.36 1.46 0.00 0.00 0.00 176.54 178.58 3de9 h GLN 71 N 0.40 0.91 -0.98 4.80 4.20 -1.18 -2.08 115.11 121.18 3de9 h GLN 71 Ca 0.11 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3de9 h GLN 71 Cb 0.05 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.60 3de9 h GLN 71 CO -0.02 0.68 0.65 0.82 -0.67 0.00 0.00 178.83 180.29 3de9 h ILE 72 N 0.89 1.25 -0.49 2.54 2.04 -0.99 -0.86 117.51 121.89 3de9 h ILE 72 Ca 0.23 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3de9 h ILE 72 Cb 0.03 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.90 3de9 h ILE 72 CO -0.04 0.24 0.09 -0.74 0.00 0.00 0.00 178.15 177.70 3de9 h HIS 73 N 1.33 0.86 -0.75 1.37 2.76 -1.06 0.22 115.15 119.88 3de9 h HIS 73 Ca 0.36 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3de9 h HIS 73 Cb -0.15 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.53 3de9 h HIS 73 CO -0.00 0.78 0.41 0.22 -1.30 0.00 0.00 177.93 178.05 3de9 h ASP 74 N 0.69 0.94 -0.88 3.26 1.82 -1.06 -1.15 116.42 120.04 3de9 h ASP 74 Ca 0.15 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 3de9 h ASP 74 Cb 0.38 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.11 3de9 h ASP 74 CO 0.01 0.76 0.56 0.00 -1.61 0.00 0.00 179.24 178.96 3de9 h ALA 75 N 1.21 1.32 -0.46 -0.78 0.00 -0.82 -3.04 119.26 116.68 3de9 h ALA 75 Ca 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3de9 h ALA 75 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3de9 h ALA 75 CO -0.04 0.61 0.20 1.25 0.00 0.00 0.00 179.25 181.27 3de9 h LEU 76 N 1.21 0.62 -0.48 0.00 7.12 0.12 -0.02 115.31 123.88 3de9 h LEU 76 Ca 0.32 -0.15 0.07 0.00 0.13 0.00 0.00 57.88 58.25 3de9 h LEU 76 Cb -0.09 -0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 39.82 3de9 h LEU 76 CO -0.06 0.60 0.15 0.45 -0.13 0.00 0.00 178.44 179.44 3de9 h HIS 77 N 0.61 0.26 -0.31 1.25 3.86 -1.17 0.57 115.15 120.21 3de9 h HIS 77 Ca 0.16 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3de9 h HIS 77 Cb 0.16 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3de9 h HIS 77 CO -0.00 0.07 0.18 -0.07 0.86 0.00 0.00 177.93 178.97 3de9 h LEU 78 N 0.31 0.38 -0.79 2.43 3.38 -1.35 -1.72 115.31 117.94 3de9 h LEU 78 Ca 0.24 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.19 3de9 h LEU 78 Cb 0.27 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3de9 h LEU 78 CO -0.26 0.33 0.49 0.00 0.09 0.00 0.00 178.44 179.09 3de9 h ALA 79 N 1.06 1.06 0.00 1.53 0.00 -0.44 -1.55 119.26 120.92 3de9 h ALA 79 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3de9 h ALA 79 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3de9 h ALA 79 CO -0.02 0.26 -0.14 -0.91 0.00 0.00 0.00 179.25 178.44 3de9 h ASN 80 N 0.93 0.00 -0.62 0.00 -0.26 0.71 -1.35 115.58 114.99 3de9 h ASN 80 Ca 0.33 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 56.00 3de9 h ASN 80 Cb 0.09 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.31 3de9 h ASN 80 CO -0.14 0.14 0.09 -1.84 -1.06 0.00 0.00 177.43 174.61 3de9 n GLU 81 N -3.65 4.46 -1.21 0.81 0.28 -0.70 -4.94 120.64 115.69 3de9 n GLU 81 Ca -0.02 -3.06 -0.07 0.00 -0.16 0.00 0.00 57.16 53.85 3de9 n GLU 81 Cb 0.26 -2.24 -0.03 0.00 1.43 0.00 0.00 31.44 30.86 3de9 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3de9 n GLY 82 N 0.37 0.94 3.29 -1.84 0.00 -0.51 -4.96 105.19 102.48 3de9 n GLY 82 Ca 0.32 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 3de9 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3de9 n LYS 83 N -2.76 3.56 -0.02 1.61 5.02 -0.65 -4.88 118.16 120.04 3de9 n LYS 83 Ca -0.07 -4.47 -0.17 0.00 -2.02 0.00 0.00 58.31 51.58 3de9 n LYS 83 Cb 0.24 -2.54 -0.06 0.00 -0.02 0.00 0.00 35.03 32.65 3de9 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3de9 h VAL 84 N 3.65 1.28 -0.06 -0.18 2.07 -1.90 0.15 116.25 121.26 3de9 h VAL 84 Ca 0.18 -1.97 -0.18 0.00 0.82 0.00 0.00 66.70 65.55 3de9 h VAL 84 Cb 0.84 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3de9 h VAL 84 CO 1.03 0.62 -0.75 0.07 0.02 0.00 0.00 177.57 178.57 3de9 h LYS 85 N 0.54 0.35 0.04 1.57 2.10 -1.97 -0.72 116.57 118.47 3de9 h LYS 85 Ca -0.05 -0.30 -0.24 0.00 -2.00 0.00 0.00 60.65 58.06 3de9 h LYS 85 Cb 1.39 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.79 3de9 h LYS 85 CO 0.16 0.95 -1.02 1.05 -2.00 0.00 0.00 179.45 178.59 3de9 h GLU 86 N 0.23 0.35 -0.78 0.07 9.09 -1.95 -0.68 114.58 120.92 3de9 h GLU 86 Ca -0.03 -0.43 0.14 0.00 0.05 0.00 0.00 59.36 59.09 3de9 h GLU 86 Cb 1.33 0.13 -0.09 0.00 -1.65 0.00 0.00 28.75 28.47 3de9 h GLU 86 CO 0.13 1.12 0.35 0.00 0.05 0.00 0.00 179.01 180.66 3de9 h ALA 87 N 0.72 1.13 -0.37 1.06 0.00 -0.96 0.79 119.26 121.62 3de9 h ALA 87 Ca -0.09 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3de9 h ALA 87 Cb 1.67 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3de9 h ALA 87 CO 0.17 -0.16 -0.05 1.96 0.00 0.00 0.00 179.25 181.17 3de9 h GLN 88 N 0.52 0.62 -0.31 0.00 4.20 -0.87 -1.62 115.11 117.64 3de9 h GLN 88 Ca 0.43 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 3de9 h GLN 88 Cb 0.62 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3de9 h GLN 88 CO -0.38 0.68 0.08 0.00 -0.67 0.00 0.00 178.83 178.54 3de9 h ALA 89 N 1.37 0.41 -0.06 3.87 0.00 -0.12 -2.29 119.26 122.44 3de9 h ALA 89 Ca 0.11 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3de9 h ALA 89 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3de9 h ALA 89 CO 0.02 0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.27 3de9 h ALA 90 N 0.92 -0.01 -0.64 0.00 0.00 -0.52 -1.74 119.26 117.27 3de9 h ALA 90 Ca 0.10 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3de9 h ALA 90 Cb 0.28 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3de9 h ALA 90 CO -0.00 -0.54 0.31 0.00 0.00 0.00 0.00 179.25 179.02 3de9 h ALA 91 N 0.97 0.85 -0.25 0.00 0.00 -1.21 -0.44 119.26 119.17 3de9 h ALA 91 Ca 0.05 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3de9 h ALA 91 Cb 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3de9 h ALA 91 CO -0.12 -0.07 0.09 0.93 0.00 0.00 0.00 179.25 180.08 3de9 h GLU 92 N 0.56 0.20 -0.60 0.00 4.39 -1.28 -2.25 114.58 115.59 3de9 h GLU 92 Ca 0.30 -0.01 0.18 0.00 0.34 0.00 0.00 59.36 60.17 3de9 h GLU 92 Cb 0.28 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3de9 h GLU 92 CO -0.24 0.13 0.66 1.96 -1.16 0.00 0.00 179.01 180.36 3de9 h GLN 93 N 0.21 0.00 0.00 2.33 4.20 -0.15 -2.66 115.11 119.04 3de9 h GLN 93 Ca 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3de9 h GLN 93 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 3de9 h GLN 93 CO -0.11 0.00 -0.12 -0.07 -0.67 0.00 0.00 178.83 177.85 3de9 h LEU 94 N 0.00 0.00 -0.95 1.46 3.38 -1.06 -3.00 115.31 115.14 3de9 h LEU 94 Ca 0.29 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.52 3de9 h LEU 94 Cb 1.60 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.21 3de9 h LEU 94 CO -0.00 0.12 0.48 0.11 0.09 0.00 0.00 178.44 179.24 3de9 h LYS 95 N 0.00 0.38 0.00 1.13 1.57 -1.62 -0.26 116.57 117.77 3de9 h LYS 95 Ca -0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3de9 h LYS 95 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3de9 h LYS 95 CO 0.02 0.25 -0.18 1.79 -0.57 0.00 0.00 179.45 180.76 3de9 h THR 96 N 0.39 0.51 0.01 -0.16 1.35 -1.78 -0.83 112.91 112.41 3de9 h THR 96 Ca 0.63 -0.90 -0.05 0.00 -0.55 0.00 0.00 66.41 65.54 3de9 h THR 96 Cb 1.30 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3de9 h THR 96 CO -0.56 0.18 -0.22 0.74 -0.25 0.00 0.00 175.52 175.41 3de9 h THR 97 N 0.00 1.59 -0.72 6.82 2.02 -1.27 -1.70 112.91 119.65 3de9 h THR 97 Ca -0.00 -2.02 0.16 0.00 0.77 0.00 0.00 66.41 65.32 3de9 h THR 97 Cb 0.61 2.89 -0.12 0.00 -1.74 0.00 0.00 68.15 69.78 3de9 h THR 97 CO 0.02 0.55 0.01 0.00 0.37 0.00 0.00 175.52 176.47 3de9 h ASN 99 N 0.12 0.40 -0.24 0.00 -0.26 -1.24 -1.84 115.58 112.52 3de9 h ASN 99 Ca 0.39 -0.43 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 3de9 h ASN 99 Cb 0.68 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.79 3de9 h ASN 99 CO -0.62 1.34 0.13 0.00 -1.06 0.00 0.00 177.43 177.21 3de9 h ALA 100 N 0.60 0.31 -0.44 -0.83 0.00 -1.18 0.16 119.26 117.89 3de9 h ALA 100 Ca -0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3de9 h ALA 100 Cb 1.96 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 3de9 h ALA 100 CO 0.20 -0.15 0.18 0.00 0.00 0.00 0.00 179.25 179.48 3de9 h HIS 102 N 0.56 0.56 -0.46 0.00 -0.00 -1.21 -0.41 115.15 114.19 3de9 h HIS 102 Ca 0.15 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.63 3de9 h HIS 102 Cb 0.18 -0.18 -0.09 0.00 -0.00 0.00 0.00 27.41 27.31 3de9 h HIS 102 CO -0.00 0.33 -0.14 1.96 -0.00 0.00 0.00 177.93 180.09 3de9 h GLN 103 N 0.60 -0.02 0.00 2.45 7.50 -0.63 -2.53 115.11 122.48 3de9 h GLN 103 Ca 0.19 0.00 -0.26 0.00 0.50 0.00 0.00 58.65 59.08 3de9 h GLN 103 Cb -0.01 0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.48 3de9 h GLN 103 CO -0.07 -0.02 -1.49 1.57 -1.50 0.00 0.00 178.83 177.32 3de9 h LYS 104 N -0.03 0.00 0.00 1.46 2.10 -1.47 -3.41 116.57 115.22 3de9 h LYS 104 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3de9 h LYS 104 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 3de9 h LYS 104 CO -0.49 0.60 -0.42 0.66 -2.00 0.00 0.00 179.45 177.80 3de9 n TYR 105 N -3.11 0.00 1.76 0.07 4.02 -0.18 -5.13 117.16 114.59 3de9 n TYR 105 Ca -0.12 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.92 3de9 n TYR 105 Cb 1.00 -0.02 0.75 0.00 -0.02 0.00 0.00 39.34 41.05 3de9 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72