#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3de8 n ASP 2 N 0.00 0.43 -0.20 0.00 5.68 -1.26 -4.86 116.55 116.33 3de8 n ASP 2 Ca 0.00 -1.36 -0.06 0.00 -0.50 0.00 0.00 54.79 52.87 3de8 n ASP 2 Cb 0.00 -0.20 0.04 0.00 -1.14 0.00 0.00 41.12 39.82 3de8 n ASP 2 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3de8 h LEU 3 N 0.00 0.66 -0.55 -2.12 6.46 -1.94 0.54 115.31 118.37 3de8 h LEU 3 Ca -0.10 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 3de8 h LEU 3 Cb 0.38 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 3de8 h LEU 3 CO 0.11 0.48 0.25 -0.08 -0.62 0.00 0.00 178.44 178.58 3de8 h GLU 4 N 0.78 0.80 -0.63 1.25 4.81 -1.99 -0.31 114.58 119.29 3de8 h GLU 4 Ca 0.22 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3de8 h GLU 4 Cb -0.08 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 3de8 h GLU 4 CO -0.05 0.67 0.41 -0.44 -0.73 0.00 0.00 179.01 178.86 3de8 h ASP 5 N 0.74 0.73 -0.96 1.04 3.32 -1.81 -1.66 116.42 117.82 3de8 h ASP 5 Ca 0.19 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.25 3de8 h ASP 5 Cb 0.14 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 3de8 h ASP 5 CO -0.02 0.54 0.63 0.78 -1.72 0.00 0.00 179.24 179.44 3de8 h ASN 6 N 0.85 1.04 -0.52 6.45 2.35 -0.23 -0.82 115.58 124.69 3de8 h ASN 6 Ca 0.23 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.86 3de8 h ASN 6 Cb -0.09 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 3de8 h ASN 6 CO -0.05 0.72 -0.10 0.24 -1.65 0.00 0.00 177.43 176.59 3de8 h MET 7 N 1.21 0.99 -0.72 0.81 2.86 -0.65 -0.39 114.93 119.05 3de8 h MET 7 Ca 0.38 -0.37 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3de8 h MET 7 Cb 0.01 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.54 3de8 h MET 7 CO -0.12 1.04 0.41 1.49 1.06 0.00 0.00 176.91 180.80 3de8 h GLU 8 N 0.86 0.72 -0.39 1.72 4.57 -0.82 0.81 114.58 122.05 3de8 h GLU 8 Ca 0.14 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 3de8 h GLU 8 Cb 0.66 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3de8 h GLU 8 CO 0.05 0.48 0.03 1.15 -1.18 0.00 0.00 179.01 179.53 3de8 h THR 9 N 0.74 1.25 -0.28 0.32 2.02 -0.56 0.13 112.91 116.55 3de8 h THR 9 Ca 0.32 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 3de8 h THR 9 Cb 0.21 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3de8 h THR 9 CO -0.19 0.32 0.11 -0.07 0.37 0.00 0.00 175.52 176.06 3de8 h LEU 10 N 0.50 0.38 -0.01 2.58 3.38 -0.81 -1.46 115.31 119.88 3de8 h LEU 10 Ca 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3de8 h LEU 10 Cb 0.43 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3de8 h LEU 10 CO 0.02 0.43 0.00 -1.13 0.09 0.00 0.00 178.44 177.85 3de8 h ASN 11 N 0.30 0.01 -0.74 -0.43 -1.24 -0.68 -1.68 115.58 111.12 3de8 h ASN 11 Ca 0.09 -0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.06 3de8 h ASN 11 Cb 0.17 -0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 3de8 h ASN 11 CO -0.01 0.07 0.47 0.44 -1.29 0.00 0.00 177.43 177.12 3de8 h ASP 12 N -0.06 0.79 0.96 1.15 3.32 -0.95 -2.87 116.42 118.76 3de8 h ASP 12 Ca 0.00 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3de8 h ASP 12 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3de8 h ASP 12 CO -0.00 0.55 -0.75 0.78 -1.72 0.00 0.00 179.24 178.10 3de8 h ASN 13 N 0.93 0.00 -0.69 6.45 4.21 -1.13 -1.25 115.58 124.09 3de8 h ASN 13 Ca 0.29 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.84 3de8 h ASN 13 Cb -0.02 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.14 3de8 h ASN 13 CO -0.10 0.75 0.42 0.25 -1.29 0.00 0.00 177.43 177.46 3de8 h LEU 14 N 0.00 0.67 -0.44 1.61 5.85 -1.11 -0.24 115.31 121.65 3de8 h LEU 14 Ca -0.01 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 3de8 h LEU 14 Cb 1.43 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3de8 h LEU 14 CO 0.10 0.45 -0.13 0.11 -0.34 0.00 0.00 178.44 178.63 3de8 h LYS 15 N 0.80 0.87 -0.63 1.25 1.57 -1.30 -1.55 116.57 117.59 3de8 h LYS 15 Ca 0.29 -0.35 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 3de8 h LYS 15 Cb 0.08 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 3de8 h LYS 15 CO -0.13 0.99 0.26 0.28 -0.57 0.00 0.00 179.45 180.27 3de8 h VAL 16 N 0.70 0.79 -0.22 0.50 2.07 -0.92 -1.80 116.25 117.37 3de8 h VAL 16 Ca 0.11 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3de8 h VAL 16 Cb 0.68 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3de8 h VAL 16 CO 0.05 0.08 0.07 0.40 0.02 0.00 0.00 177.57 178.19 3de8 h ILE 17 N 0.45 1.19 0.00 4.57 2.04 -0.84 -0.56 117.51 124.36 3de8 h ILE 17 Ca 0.31 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3de8 h ILE 17 Cb 0.37 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3de8 h ILE 17 CO -0.29 0.19 -0.05 1.05 0.00 0.00 0.00 178.15 179.05 3de8 h GLU 18 N 0.19 0.00 0.00 2.37 4.11 -0.96 -1.97 114.58 118.31 3de8 h GLU 18 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3de8 h GLU 18 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3de8 h GLU 18 CO -0.00 0.05 -0.64 1.63 0.07 0.00 0.00 179.01 180.11 3de8 n LYS 19 N -3.18 0.14 -1.34 1.06 5.02 -0.70 -4.98 118.16 114.18 3de8 n LYS 19 Ca 0.00 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 3de8 n LYS 19 Cb 0.32 -1.57 0.09 0.00 -0.02 0.00 0.00 35.03 33.85 3de8 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3de8 s ALA 20 N -3.09 2.13 -0.03 7.82 0.00 -0.24 -4.98 121.76 123.37 3de8 s ALA 20 Ca 0.08 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.67 3de8 s ALA 20 Cb 0.16 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 3de8 s ALA 20 CO 0.73 -1.84 0.11 -0.25 0.00 0.00 0.00 175.76 174.50 3de8 n ASP 21 N -3.15 3.33 -4.28 0.00 8.00 -1.26 -5.05 116.55 114.14 3de8 n ASP 21 Ca 0.11 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 3de8 n ASP 21 Cb 0.52 1.08 -0.10 0.00 -0.02 0.00 0.00 41.12 42.59 3de8 n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3de8 s ASN 22 N -3.23 0.97 0.30 -2.24 6.03 -1.26 -5.06 114.94 110.46 3de8 s ASN 22 Ca -0.03 -1.36 0.09 0.00 -1.03 0.00 0.00 52.86 50.53 3de8 s ASN 22 Cb 0.04 0.20 0.48 0.00 -3.03 0.00 0.00 41.25 38.94 3de8 s ASN 22 CO 0.29 -0.74 1.70 0.00 -2.03 0.00 0.00 177.10 176.33 3de8 h ALA 23 N 2.47 1.13 -0.50 3.54 0.00 -1.90 -2.92 119.26 121.10 3de8 h ALA 23 Ca -0.38 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 3de8 h ALA 23 Cb 1.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3de8 h ALA 23 CO 0.59 0.60 0.10 0.00 0.00 0.00 0.00 179.25 180.54 3de8 h ALA 24 N 1.42 0.66 -0.62 0.00 0.00 -1.97 0.36 119.26 119.11 3de8 h ALA 24 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3de8 h ALA 24 Cb 0.85 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3de8 h ALA 24 CO 0.07 0.38 0.41 1.96 0.00 0.00 0.00 179.25 182.06 3de8 h GLN 25 N 0.69 0.80 -0.15 0.00 4.20 -1.95 -0.04 115.11 118.67 3de8 h GLN 25 Ca 0.15 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 3de8 h GLN 25 Cb 0.37 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 3de8 h GLN 25 CO 0.01 0.53 -0.22 0.28 -0.67 0.00 0.00 178.83 178.75 3de8 h VAL 26 N 0.83 1.36 -0.36 -0.54 2.07 -1.30 -2.31 116.25 115.99 3de8 h VAL 26 Ca 0.23 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.36 3de8 h VAL 26 Cb -0.07 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3de8 h VAL 26 CO -0.06 0.43 0.01 0.50 0.02 0.00 0.00 177.57 178.47 3de8 h LYS 27 N 0.02 0.11 -0.56 1.57 3.64 -0.76 0.27 116.57 120.86 3de8 h LYS 27 Ca 0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3de8 h LYS 27 Cb 0.79 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3de8 h LYS 27 CO 0.05 0.07 0.36 -0.44 -2.27 0.00 0.00 179.45 177.22 3de8 h ASP 28 N 0.11 0.59 -0.34 4.20 3.32 -0.94 -0.57 116.42 122.79 3de8 h ASP 28 Ca 0.17 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 3de8 h ASP 28 Cb 0.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3de8 h ASP 28 CO -0.29 0.42 -0.17 0.00 -1.72 0.00 0.00 179.24 177.49 3de8 h ALA 29 N 1.23 0.48 -0.73 3.45 0.00 -1.09 -2.07 119.26 120.54 3de8 h ALA 29 Ca 0.22 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3de8 h ALA 29 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3de8 h ALA 29 CO -0.08 0.41 0.32 -0.07 0.00 0.00 0.00 179.25 179.83 3de8 h LEU 30 N 0.50 0.97 -0.78 0.00 3.38 -0.70 -1.15 115.31 117.53 3de8 h LEU 30 Ca 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3de8 h LEU 30 Cb 0.71 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3de8 h LEU 30 CO 0.05 0.84 0.38 0.74 0.09 0.00 0.00 178.44 180.54 3de8 h THR 31 N 1.05 1.25 -0.59 0.22 2.02 -0.90 0.29 112.91 116.24 3de8 h THR 31 Ca 0.25 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 3de8 h THR 31 Cb 0.16 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3de8 h THR 31 CO -0.03 0.30 0.15 0.11 0.37 0.00 0.00 175.52 176.41 3de8 h LYS 32 N 1.11 0.92 -0.51 6.66 1.57 -0.98 -2.21 116.57 123.13 3de8 h LYS 32 Ca 0.27 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3de8 h LYS 32 Cb 0.12 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3de8 h LYS 32 CO -0.03 0.82 -0.02 0.52 -0.57 0.00 0.00 179.45 180.17 3de8 h MET 33 N 0.89 0.91 -0.24 3.15 2.86 -0.70 -1.99 114.93 119.81 3de8 h MET 33 Ca 0.19 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3de8 h MET 33 Cb 0.32 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3de8 h MET 33 CO -0.00 0.95 0.05 -0.09 1.06 0.00 0.00 176.91 178.88 3de8 h ARG 34 N 0.78 0.14 -0.70 1.72 2.43 -0.71 0.10 114.38 118.13 3de8 h ARG 34 Ca 0.14 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3de8 h ARG 34 Cb 0.55 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 3de8 h ARG 34 CO 0.03 0.09 0.37 0.00 -1.51 0.00 0.00 179.97 178.96 3de8 h ALA 35 N 1.17 0.90 -0.44 2.80 0.00 -1.30 -0.98 119.26 121.41 3de8 h ALA 35 Ca 0.11 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3de8 h ALA 35 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3de8 h ALA 35 CO -0.14 0.42 -0.12 0.00 0.00 0.00 0.00 179.25 179.41 3de8 h ALA 36 N 1.19 0.96 -0.35 0.00 0.00 -1.03 -0.79 119.26 119.24 3de8 h ALA 36 Ca 0.25 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3de8 h ALA 36 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3de8 h ALA 36 CO -0.04 0.61 -0.44 0.00 0.00 0.00 0.00 179.25 179.38 3de8 h ALA 37 N 1.14 0.52 -0.07 0.00 0.00 -0.63 -0.85 119.26 119.38 3de8 h ALA 37 Ca 0.12 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 3de8 h ALA 37 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3de8 h ALA 37 CO 0.04 0.67 -0.37 -0.07 0.00 0.00 0.00 179.25 179.52 3de8 h LEU 38 N 0.72 0.13 -0.16 0.00 3.38 -1.03 -2.48 115.31 115.86 3de8 h LEU 38 Ca 0.04 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3de8 h LEU 38 Cb 1.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3de8 h LEU 38 CO 0.10 0.50 -0.34 -0.78 0.09 0.00 0.00 178.44 178.01 3de8 h ASP 39 N 0.11 0.58 0.54 -0.43 3.58 -0.93 -3.21 116.42 116.67 3de8 h ASP 39 Ca 0.01 -0.56 -0.05 0.00 0.42 0.00 0.00 57.03 56.86 3de8 h ASP 39 Cb 0.71 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 3de8 h ASP 39 CO 0.05 1.03 -0.22 0.00 -2.88 0.00 0.00 179.24 177.23 3de8 h ALA 40 N 0.56 1.21 -0.22 -0.78 0.00 -0.96 -3.30 119.26 115.78 3de8 h ALA 40 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3de8 h ALA 40 Cb 0.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3de8 h ALA 40 CO 0.08 0.27 0.16 0.37 0.00 0.00 0.00 179.25 180.13 3de8 h GLN 41 N 0.00 0.00 -0.02 0.00 4.15 -1.45 -0.22 115.11 117.57 3de8 h GLN 41 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3de8 h GLN 41 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3de8 h GLN 41 CO 0.03 0.00 0.00 0.36 -1.93 0.00 0.00 178.83 177.29 3de8 n LYS 42 N -4.45 1.69 -2.26 1.69 2.85 -1.24 -4.64 118.16 111.79 3de8 n LYS 42 Ca 0.02 -1.00 -0.33 0.00 -1.05 0.00 0.00 58.31 55.96 3de8 n LYS 42 Cb 0.31 -1.48 -0.01 0.00 -0.65 0.00 0.00 35.03 33.20 3de8 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3de8 s ALA 43 N -1.99 2.88 -0.32 0.58 0.00 -0.10 -5.03 121.76 117.78 3de8 s ALA 43 Ca 0.38 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 3de8 s ALA 43 Cb 0.21 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 3de8 s ALA 43 CO 0.33 -0.52 0.18 0.99 0.00 0.00 0.00 175.76 176.74 3de8 s THR 44 N -2.44 4.81 0.63 0.00 2.01 -1.26 -4.97 115.64 114.43 3de8 s THR 44 Ca 0.62 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.15 3de8 s THR 44 Cb -0.14 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 3de8 s THR 44 CO 0.32 0.06 1.06 -2.16 -0.69 0.00 0.00 174.62 173.20 3de8 s PRO 45 N 1.65 3.17 0.27 4.92 0.04 -1.26 -4.83 135.00 138.96 3de8 s PRO 45 Ca 0.05 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3de8 s PRO 45 Cb -0.17 -2.02 0.60 0.00 0.04 0.00 0.00 34.50 32.95 3de8 s PRO 45 CO 0.08 -0.92 1.74 -1.35 0.04 0.00 0.00 177.00 176.58 3de8 h PRO 46 N -0.04 0.52 0.00 0.56 0.11 -1.99 -1.78 132.00 129.38 3de8 h PRO 46 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3de8 h PRO 46 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3de8 h PRO 46 CO 0.57 0.34 0.00 1.63 -0.21 0.00 0.00 178.00 180.33 3de8 n LYS 47 N -4.94 0.10 -0.03 1.05 5.02 -1.26 -2.53 118.16 115.57 3de8 n LYS 47 Ca 0.19 0.29 0.04 0.00 -2.02 0.00 0.00 58.31 56.81 3de8 n LYS 47 Cb 0.51 -1.67 0.05 0.00 -0.02 0.00 0.00 35.03 33.90 3de8 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3de8 n LEU 48 N -1.86 1.92 -0.30 -0.35 4.77 -0.74 -4.68 117.00 115.76 3de8 n LEU 48 Ca 0.04 -1.19 0.14 0.00 -0.03 0.00 0.00 56.01 54.97 3de8 n LEU 48 Cb 0.24 -0.03 0.39 0.00 -2.33 0.00 0.00 43.42 41.68 3de8 n LEU 48 CO 0.19 0.41 1.22 -0.33 -1.33 0.00 0.00 177.39 177.54 3de8 h GLU 49 N 1.70 0.63 -0.48 3.23 5.08 -1.09 -1.83 114.58 121.82 3de8 h GLU 49 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3de8 h GLU 49 Cb 0.43 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3de8 h GLU 49 CO 0.00 0.42 0.00 -0.40 -1.00 0.00 0.00 179.01 178.03 3de8 n ASP 50 N -4.61 2.48 -4.94 1.42 5.68 -1.26 -4.89 116.55 110.42 3de8 n ASP 50 Ca 0.20 -2.09 -0.20 0.00 -0.50 0.00 0.00 54.79 52.19 3de8 n ASP 50 Cb 0.57 -0.34 -0.02 0.00 -1.14 0.00 0.00 41.12 40.19 3de8 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3de8 s LYS 51 N -1.54 3.18 0.38 0.11 -0.14 -0.69 -5.07 119.74 115.97 3de8 s LYS 51 Ca 0.28 -0.95 -0.28 0.00 -1.36 0.00 0.00 55.97 53.67 3de8 s LYS 51 Cb 0.16 -2.78 -0.11 0.00 -1.68 0.00 0.00 37.83 33.43 3de8 s LYS 51 CO 0.17 0.26 1.48 0.45 -0.76 0.00 0.00 175.35 176.95 3de8 s SER 52 N -4.03 6.34 0.65 2.83 0.15 -1.26 -4.85 113.70 113.52 3de8 s SER 52 Ca 0.38 3.03 0.43 0.00 0.70 0.00 0.00 55.95 60.50 3de8 s SER 52 Cb -0.09 -2.67 2.37 0.00 -1.71 0.00 0.00 66.02 63.92 3de8 s SER 52 CO 0.29 -0.88 2.33 -0.65 1.20 0.00 0.00 173.24 175.54 3de8 h PRO 53 N 2.98 0.00 -0.72 5.44 0.11 -1.94 -1.20 132.00 136.67 3de8 h PRO 53 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3de8 h PRO 53 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3de8 h PRO 53 CO 0.64 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.18 3de8 n ASP 54 N -3.03 3.97 -4.75 -2.05 8.00 -1.26 -4.75 116.55 112.67 3de8 n ASP 54 Ca -0.03 -2.06 -0.33 0.00 0.71 0.00 0.00 54.79 53.08 3de8 n ASP 54 Cb 0.07 -0.49 0.07 0.00 -0.02 0.00 0.00 41.12 40.75 3de8 n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3de8 s SER 55 N -0.98 4.73 0.44 -2.24 1.04 -0.46 -4.88 113.70 111.35 3de8 s SER 55 Ca 0.49 2.10 0.10 0.00 0.48 0.00 0.00 55.95 59.11 3de8 s SER 55 Cb 0.26 -2.56 0.98 0.00 0.10 0.00 0.00 66.02 64.80 3de8 s SER 55 CO 0.32 -1.89 2.07 -0.65 0.98 0.00 0.00 173.24 174.07 3de8 h PRO 56 N -0.21 0.39 -0.55 4.02 0.11 -1.95 -2.00 132.00 131.81 3de8 h PRO 56 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3de8 h PRO 56 Cb 1.26 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3de8 h PRO 56 CO 0.52 0.26 0.27 0.93 -0.21 0.00 0.00 178.00 179.77 3de8 h GLU 57 N 0.40 0.78 -0.26 1.05 3.07 -1.93 0.10 114.58 117.79 3de8 h GLU 57 Ca 0.13 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 58.77 3de8 h GLU 57 Cb 0.04 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3de8 h GLU 57 CO -0.03 0.63 -0.30 0.52 -1.40 0.00 0.00 179.01 178.44 3de8 h MET 58 N 0.74 0.54 -0.14 2.33 2.86 -1.76 0.20 114.93 119.70 3de8 h MET 58 Ca 0.19 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3de8 h MET 58 Cb 0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3de8 h MET 58 CO -0.03 0.78 0.08 1.25 1.06 0.00 0.00 176.91 180.06 3de8 h HIS 59 N 0.47 0.19 -0.51 -0.22 -0.00 -1.05 -1.87 115.15 112.16 3de8 h HIS 59 Ca 0.06 -0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.30 3de8 h HIS 59 Cb 0.75 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 3de8 h HIS 59 CO 0.03 0.18 -0.17 0.22 -0.00 0.00 0.00 177.93 178.19 3de8 h ASP 60 N 0.15 1.03 -0.21 3.26 3.58 -0.66 -1.67 116.42 121.89 3de8 h ASP 60 Ca 0.05 -0.37 0.04 0.00 0.42 0.00 0.00 57.03 57.17 3de8 h ASP 60 Cb 0.05 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 3de8 h ASP 60 CO -0.01 1.17 -0.01 0.15 -2.88 0.00 0.00 179.24 177.66 3de8 h PHE 61 N 0.89 -0.03 -0.77 0.28 3.57 -0.51 -1.00 116.94 119.36 3de8 h PHE 61 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3de8 h PHE 61 Cb 0.74 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3de8 h PHE 61 CO 0.05 -0.04 0.33 -0.09 -2.23 0.00 0.00 178.31 176.33 3de8 h ARG 62 N 0.05 1.14 0.00 1.11 2.43 -1.12 -1.85 114.38 116.14 3de8 h ARG 62 Ca 0.10 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3de8 h ARG 62 Cb 0.13 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3de8 h ARG 62 CO -0.18 0.90 -0.23 0.45 -1.51 0.00 0.00 179.97 179.40 3de8 h HIS 63 N 1.11 0.00 -0.94 2.20 3.86 -0.87 -2.39 115.15 118.13 3de8 h HIS 63 Ca 0.26 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.59 3de8 h HIS 63 Cb 0.18 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.57 3de8 h HIS 63 CO 0.02 0.23 0.60 0.78 0.86 0.00 0.00 177.93 180.42 3de8 h GLY 64 N 0.81 1.43 1.98 2.45 0.00 -0.31 -0.32 103.07 109.12 3de8 h GLY 64 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 3de8 h GLY 64 CO 0.03 0.17 -0.68 0.74 0.00 0.00 0.00 176.54 176.80 3de8 h PHE 65 N 0.90 0.02 -0.57 5.60 -1.00 -1.46 -1.97 116.94 118.47 3de8 h PHE 65 Ca 0.46 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.21 3de8 h PHE 65 Cb 0.50 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.03 3de8 h PHE 65 CO -0.00 0.69 0.27 -0.44 -1.61 0.00 0.00 178.31 177.22 3de8 h ASP 66 N 0.01 0.75 -0.18 2.17 3.32 -0.97 1.00 116.42 122.51 3de8 h ASP 66 Ca -0.01 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.92 3de8 h ASP 66 Cb 1.20 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 3de8 h ASP 66 CO 0.09 0.67 0.08 0.40 -1.72 0.00 0.00 179.24 178.76 3de8 h ILE 67 N 0.77 0.99 -0.49 0.35 1.08 -1.23 -1.01 117.51 117.97 3de8 h ILE 67 Ca 0.20 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.58 3de8 h ILE 67 Cb 0.12 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3de8 h ILE 67 CO -0.02 0.03 0.23 0.25 -0.69 0.00 0.00 178.15 177.95 3de8 h LEU 68 N 0.18 0.64 -0.60 1.44 5.85 -0.96 -1.18 115.31 120.68 3de8 h LEU 68 Ca 0.07 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3de8 h LEU 68 Cb 0.02 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3de8 h LEU 68 CO -0.06 0.60 0.23 0.58 -0.34 0.00 0.00 178.44 179.45 3de8 h VAL 69 N 0.64 1.23 -0.80 1.05 2.07 -0.73 0.03 116.25 119.74 3de8 h VAL 69 Ca 0.17 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.98 3de8 h VAL 69 Cb 0.13 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3de8 h VAL 69 CO -0.02 0.29 0.52 1.23 0.02 0.00 0.00 177.57 179.60 3de8 h GLY 70 N 0.84 1.15 1.62 2.17 0.00 -0.78 -0.24 103.07 107.83 3de8 h GLY 70 Ca 0.20 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 3de8 h GLY 70 CO -0.01 0.35 -0.80 1.46 0.00 0.00 0.00 176.54 177.54 3de8 h GLN 71 N 1.02 0.36 -0.66 4.80 4.20 -0.80 -2.22 115.11 121.81 3de8 h GLN 71 Ca 0.31 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3de8 h GLN 71 Cb -0.02 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3de8 h GLN 71 CO -0.10 0.99 0.30 0.82 -0.67 0.00 0.00 178.83 180.17 3de8 h ILE 72 N 0.23 1.23 -0.32 2.54 2.04 -0.62 -1.57 117.51 121.04 3de8 h ILE 72 Ca -0.04 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.21 3de8 h ILE 72 Cb 1.39 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 3de8 h ILE 72 CO 0.13 0.27 -0.03 -0.74 0.00 0.00 0.00 178.15 177.79 3de8 h HIS 73 N 0.92 -0.07 -0.67 1.37 2.76 -0.81 0.14 115.15 118.79 3de8 h HIS 73 Ca 0.22 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.35 3de8 h HIS 73 Cb 0.14 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 3de8 h HIS 73 CO 0.01 -0.08 0.13 -0.44 -1.30 0.00 0.00 177.93 176.24 3de8 h ASP 74 N 0.06 1.03 -0.60 3.26 3.45 -1.05 -1.04 116.42 121.54 3de8 h ASP 74 Ca 0.15 -0.23 -0.06 0.00 0.43 0.00 0.00 57.03 57.32 3de8 h ASP 74 Cb 0.22 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 3de8 h ASP 74 CO -0.28 1.01 0.14 0.00 -1.57 0.00 0.00 179.24 178.54 3de8 h ALA 75 N 1.11 1.07 -0.65 3.45 0.00 -0.80 -2.46 119.26 121.00 3de8 h ALA 75 Ca 0.21 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3de8 h ALA 75 Cb 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3de8 h ALA 75 CO 0.01 0.61 0.08 1.25 0.00 0.00 0.00 179.25 181.20 3de8 h LEU 76 N 0.94 1.04 -0.74 0.00 5.85 -0.12 -1.34 115.31 120.94 3de8 h LEU 76 Ca 0.20 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3de8 h LEU 76 Cb 0.35 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3de8 h LEU 76 CO 0.00 1.05 0.49 0.45 -0.34 0.00 0.00 178.44 180.08 3de8 h HIS 77 N 1.01 0.92 -0.61 1.25 3.86 -0.94 0.81 115.15 121.44 3de8 h HIS 77 Ca 0.19 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3de8 h HIS 77 Cb 0.47 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 3de8 h HIS 77 CO 0.03 0.56 0.36 -0.07 0.86 0.00 0.00 177.93 179.68 3de8 h LEU 78 N 0.98 0.74 -0.89 2.43 3.38 -0.97 -2.03 115.31 118.94 3de8 h LEU 78 Ca 0.28 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3de8 h LEU 78 Cb -0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3de8 h LEU 78 CO -0.08 0.59 0.05 0.00 0.09 0.00 0.00 178.44 179.10 3de8 h ALA 79 N 1.18 1.09 0.00 1.53 0.00 -0.74 -1.54 119.26 120.78 3de8 h ALA 79 Ca 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3de8 h ALA 79 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3de8 h ALA 79 CO -0.04 0.59 -0.14 -0.91 0.00 0.00 0.00 179.25 178.74 3de8 h ASN 80 N 0.82 0.00 0.53 0.00 -0.26 -0.50 0.28 115.58 116.44 3de8 h ASN 80 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3de8 h ASN 80 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 3de8 h ASN 80 CO 0.01 0.14 0.00 -0.62 -1.06 0.00 0.00 177.43 175.91 3de8 n GLU 81 N -3.94 0.33 -0.99 0.81 1.02 -0.79 -4.90 120.64 112.17 3de8 n GLU 81 Ca -0.02 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3de8 n GLU 81 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3de8 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3de8 n GLY 82 N 0.94 0.46 3.37 0.62 0.00 0.09 -4.96 105.19 105.70 3de8 n GLY 82 Ca 0.12 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 3de8 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3de8 n LYS 83 N -2.99 3.32 0.26 1.61 5.02 -0.65 -4.84 118.16 119.88 3de8 n LYS 83 Ca 0.00 -3.55 -0.16 0.00 -2.02 0.00 0.00 58.31 52.58 3de8 n LYS 83 Cb 0.00 -3.18 -0.08 0.00 -0.02 0.00 0.00 35.03 31.75 3de8 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3de8 h VAL 84 N 4.75 0.27 -0.61 -0.18 2.07 -1.89 0.35 116.25 121.01 3de8 h VAL 84 Ca 0.39 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.86 3de8 h VAL 84 Cb 0.82 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3de8 h VAL 84 CO 1.41 0.00 0.18 0.11 0.02 0.00 0.00 177.57 179.28 3de8 h LYS 85 N -0.79 0.93 -0.55 1.57 1.57 -1.98 0.64 116.57 117.96 3de8 h LYS 85 Ca -0.04 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 3de8 h LYS 85 Cb 0.68 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3de8 h LYS 85 CO -0.02 0.81 -0.01 0.93 -0.57 0.00 0.00 179.45 180.59 3de8 h GLU 86 N 0.90 0.98 -0.60 3.15 5.08 -1.93 -0.46 114.58 121.71 3de8 h GLU 86 Ca 0.20 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 3de8 h GLU 86 Cb 0.28 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3de8 h GLU 86 CO -0.01 0.99 0.15 0.00 -1.00 0.00 0.00 179.01 179.15 3de8 h ALA 87 N 0.96 0.79 -0.74 3.43 0.00 -0.48 -1.32 119.26 121.89 3de8 h ALA 87 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3de8 h ALA 87 Cb 0.55 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3de8 h ALA 87 CO 0.03 0.49 0.42 1.96 0.00 0.00 0.00 179.25 182.15 3de8 h GLN 88 N 0.87 1.02 -0.90 0.00 4.20 -0.68 -0.47 115.11 119.15 3de8 h GLN 88 Ca 0.19 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3de8 h GLN 88 Cb 0.34 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3de8 h GLN 88 CO 0.00 0.75 0.52 0.00 -0.67 0.00 0.00 178.83 179.43 3de8 h ALA 89 N 1.22 1.22 -0.29 3.87 0.00 -0.87 -0.46 119.26 123.95 3de8 h ALA 89 Ca 0.26 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3de8 h ALA 89 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3de8 h ALA 89 CO -0.04 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 3de8 h ALA 90 N 1.32 0.40 -0.72 0.00 0.00 -0.83 -2.38 119.26 117.05 3de8 h ALA 90 Ca 0.32 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3de8 h ALA 90 Cb -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3de8 h ALA 90 CO -0.06 0.21 0.45 0.00 0.00 0.00 0.00 179.25 179.86 3de8 h ALA 91 N 0.80 0.95 -0.91 0.00 0.00 -0.86 -2.36 119.26 116.87 3de8 h ALA 91 Ca 0.08 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3de8 h ALA 91 Cb 0.53 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 3de8 h ALA 91 CO 0.03 0.24 0.56 1.49 0.00 0.00 0.00 179.25 181.56 3de8 h GLU 92 N 0.89 0.91 0.00 0.00 4.57 -0.93 -1.47 114.58 118.55 3de8 h GLU 92 Ca 0.29 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3de8 h GLU 92 Cb 0.02 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 3de8 h GLU 92 CO -0.11 0.61 0.00 1.04 -1.18 0.00 0.00 179.01 179.36 3de8 n GLN 93 N -4.65 0.01 0.29 1.92 6.02 -0.91 -2.33 117.38 117.73 3de8 n GLN 93 Ca 0.15 0.10 0.14 0.00 -0.01 0.00 0.00 57.00 57.38 3de8 n GLN 93 Cb 0.27 -1.50 0.85 0.00 1.02 0.00 0.00 30.24 30.89 3de8 n GLN 93 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3de8 h LEU 94 N 0.00 0.00 -1.69 1.08 3.38 -0.96 -3.06 115.31 114.06 3de8 h LEU 94 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3de8 h LEU 94 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3de8 h LEU 94 CO 0.00 0.03 0.44 0.11 0.09 0.00 0.00 178.44 179.11 3de8 h LYS 95 N 0.00 0.32 -0.69 1.13 1.57 -1.61 0.93 116.57 118.22 3de8 h LYS 95 Ca -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3de8 h LYS 95 Cb 0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3de8 h LYS 95 CO 0.00 0.21 0.40 1.15 -0.57 0.00 0.00 179.45 180.64 3de8 h THR 96 N 0.33 1.20 -0.11 -0.16 2.02 -1.79 0.40 112.91 114.80 3de8 h THR 96 Ca 0.31 -0.46 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 3de8 h THR 96 Cb 0.77 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3de8 h THR 96 CO -0.08 0.21 -0.47 0.74 0.37 0.00 0.00 175.52 176.29 3de8 h THR 97 N 0.95 1.36 -0.50 3.16 2.02 -1.04 -0.03 112.91 118.83 3de8 h THR 97 Ca 0.25 -1.79 0.08 0.00 0.77 0.00 0.00 66.41 65.72 3de8 h THR 97 Cb -0.01 2.15 -0.07 0.00 -1.74 0.00 0.00 68.15 68.48 3de8 h THR 97 CO -0.04 0.54 0.10 0.00 0.37 0.00 0.00 175.52 176.49 3de8 h ASN 99 N 0.24 0.93 -0.71 0.00 -0.26 -0.85 -1.56 115.58 113.37 3de8 h ASN 99 Ca 0.25 -0.37 0.04 0.00 -0.56 0.00 0.00 56.30 55.66 3de8 h ASN 99 Cb 0.33 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 37.29 3de8 h ASN 99 CO -0.32 1.09 0.43 0.00 -1.06 0.00 0.00 177.43 177.57 3de8 h ALA 100 N 0.87 0.94 -0.15 -0.83 0.00 -0.76 0.30 119.26 119.63 3de8 h ALA 100 Ca 0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3de8 h ALA 100 Cb 0.69 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3de8 h ALA 100 CO 0.05 0.17 -0.44 0.00 0.00 0.00 0.00 179.25 179.04 3de8 h HIS 102 N 0.19 0.99 -0.81 0.00 -0.00 -1.01 0.92 115.15 115.43 3de8 h HIS 102 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3de8 h HIS 102 Cb 1.06 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 28.11 3de8 h HIS 102 CO 0.10 0.50 0.51 0.37 -0.00 0.00 0.00 177.93 179.41 3de8 h GLN 103 N 0.98 1.08 0.18 2.45 5.75 -0.93 -1.32 115.11 123.30 3de8 h GLN 103 Ca 0.38 -0.08 -0.28 0.00 -0.15 0.00 0.00 58.65 58.52 3de8 h GLN 103 Cb 0.18 -0.24 0.03 0.00 1.07 0.00 0.00 27.48 28.52 3de8 h GLN 103 CO -0.18 0.74 -1.20 0.87 -2.65 0.00 0.00 178.83 176.41 3de8 h LYS 104 N 1.11 0.49 0.00 1.69 1.57 -1.36 -3.43 116.57 116.64 3de8 h LYS 104 Ca 0.29 -0.77 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3de8 h LYS 104 Cb -0.09 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3de8 h LYS 104 CO -0.06 1.36 0.00 0.66 -0.57 0.00 0.00 179.45 180.84 3de8 n TYR 105 N -3.88 0.00 1.13 -1.35 0.53 0.27 -5.10 117.16 108.77 3de8 n TYR 105 Ca -0.15 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.86 3de8 n TYR 105 Cb 0.98 0.00 0.21 0.00 -1.03 0.00 0.00 39.34 39.50 3de8 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71