#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3de8 s ASP 2 N 0.00 4.93 0.17 0.00 1.47 -1.26 -4.84 116.67 117.14 3de8 s ASP 2 Ca 0.00 0.49 -0.15 0.00 1.18 0.00 0.00 52.55 54.07 3de8 s ASP 2 Cb 0.00 -1.19 0.12 0.00 -0.34 0.00 0.00 42.92 41.52 3de8 s ASP 2 CO 0.00 -1.52 1.71 0.25 0.68 0.00 0.00 175.17 176.29 3de8 h LEU 3 N -0.53 -0.08 -0.88 2.11 6.46 -1.93 -1.10 115.31 119.35 3de8 h LEU 3 Ca -0.44 0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.30 3de8 h LEU 3 Cb 1.31 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.36 3de8 h LEU 3 CO 0.60 -0.01 -0.23 1.05 -0.62 0.00 0.00 178.44 179.23 3de8 h GLU 4 N 0.16 0.56 -0.56 1.25 -0.00 -1.99 -0.31 114.58 113.69 3de8 h GLU 4 Ca 0.20 -0.21 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 3de8 h GLU 4 Cb 0.28 -0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 28.97 3de8 h GLU 4 CO -0.31 0.75 0.25 -0.44 -0.00 0.00 0.00 179.01 179.27 3de8 h ASP 5 N 0.50 0.75 -0.99 3.06 3.32 -1.76 -0.71 116.42 120.59 3de8 h ASP 5 Ca 0.07 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.02 3de8 h ASP 5 Cb 0.67 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 3de8 h ASP 5 CO 0.05 0.69 0.64 0.78 -1.72 0.00 0.00 179.24 179.69 3de8 h ASN 6 N 0.76 1.06 -0.61 6.45 2.35 -0.55 -1.73 115.58 123.32 3de8 h ASN 6 Ca 0.19 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3de8 h ASN 6 Cb 0.16 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3de8 h ASN 6 CO -0.02 0.71 0.04 0.24 -1.65 0.00 0.00 177.43 176.76 3de8 h MET 7 N 1.23 1.04 -0.70 0.81 2.86 -0.52 -0.65 114.93 119.00 3de8 h MET 7 Ca 0.40 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 3de8 h MET 7 Cb 0.05 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3de8 h MET 7 CO -0.14 1.00 0.15 0.93 1.06 0.00 0.00 176.91 179.92 3de8 h GLU 8 N 0.94 1.13 -0.67 1.72 4.39 -0.88 -0.37 114.58 120.85 3de8 h GLU 8 Ca 0.18 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3de8 h GLU 8 Cb 0.50 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 3de8 h GLU 8 CO 0.02 1.01 0.43 1.15 -1.16 0.00 0.00 179.01 180.46 3de8 h THR 9 N 1.06 1.18 -0.18 1.13 2.02 -1.06 0.20 112.91 117.26 3de8 h THR 9 Ca 0.22 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3de8 h THR 9 Cb 0.40 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3de8 h THR 9 CO 0.01 0.18 0.09 -0.07 0.37 0.00 0.00 175.52 176.09 3de8 h LEU 10 N 0.91 0.23 -0.33 2.58 3.38 -0.73 -1.97 115.31 119.38 3de8 h LEU 10 Ca 0.24 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3de8 h LEU 10 Cb -0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3de8 h LEU 10 CO -0.05 0.27 0.08 -1.13 0.09 0.00 0.00 178.44 177.70 3de8 h ASN 11 N 0.17 0.49 -0.58 -0.43 -1.24 -0.83 -1.99 115.58 111.17 3de8 h ASN 11 Ca 0.06 -0.23 0.01 0.00 0.71 0.00 0.00 56.30 56.86 3de8 h ASN 11 Cb 0.09 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 3de8 h ASN 11 CO -0.01 0.59 0.37 0.44 -1.29 0.00 0.00 177.43 177.53 3de8 h ASP 12 N 0.37 0.63 0.68 1.15 3.32 -0.59 -2.41 116.42 119.56 3de8 h ASP 12 Ca 0.10 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3de8 h ASP 12 Cb 0.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3de8 h ASP 12 CO 0.00 0.45 -0.45 0.78 -1.72 0.00 0.00 179.24 178.30 3de8 h ASN 13 N 0.75 0.00 -0.53 6.45 4.21 -1.29 -1.17 115.58 124.00 3de8 h ASN 13 Ca 0.22 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.70 3de8 h ASN 13 Cb -0.04 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.13 3de8 h ASN 13 CO -0.07 0.45 0.23 0.25 -1.29 0.00 0.00 177.43 177.00 3de8 h LEU 14 N 0.00 0.72 -0.96 1.61 5.85 -1.06 0.06 115.31 121.54 3de8 h LEU 14 Ca -0.00 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3de8 h LEU 14 Cb 0.91 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3de8 h LEU 14 CO 0.06 0.68 0.21 0.11 -0.34 0.00 0.00 178.44 179.15 3de8 h LYS 15 N 0.71 0.97 -0.40 1.25 1.57 -1.09 -0.98 116.57 118.60 3de8 h LYS 15 Ca 0.18 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3de8 h LYS 15 Cb 0.17 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3de8 h LYS 15 CO -0.02 0.82 0.22 0.28 -0.57 0.00 0.00 179.45 180.18 3de8 h VAL 16 N 0.94 1.16 -0.54 0.50 2.07 -0.81 -2.36 116.25 117.20 3de8 h VAL 16 Ca 0.21 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3de8 h VAL 16 Cb 0.26 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3de8 h VAL 16 CO -0.01 0.16 0.24 0.40 0.02 0.00 0.00 177.57 178.38 3de8 h ILE 17 N 0.52 1.21 -0.68 4.57 2.04 -0.68 -0.63 117.51 123.87 3de8 h ILE 17 Ca 0.14 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.44 3de8 h ILE 17 Cb 0.07 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3de8 h ILE 17 CO -0.02 0.24 0.45 -0.08 0.00 0.00 0.00 178.15 178.74 3de8 h GLU 18 N 0.73 0.68 0.00 2.37 4.81 -0.90 -2.44 114.58 119.82 3de8 h GLU 18 Ca 0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3de8 h GLU 18 Cb 0.16 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3de8 h GLU 18 CO -0.02 0.45 -0.88 1.63 -0.73 0.00 0.00 179.01 179.47 3de8 n LYS 19 N -4.48 0.08 -1.53 1.92 5.02 -0.91 -4.99 118.16 113.26 3de8 n LYS 19 Ca 0.10 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 3de8 n LYS 19 Cb 0.22 -1.52 0.07 0.00 -0.02 0.00 0.00 35.03 33.78 3de8 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3de8 n ALA 20 N -1.59 0.06 0.13 7.82 0.00 -0.28 -4.97 120.51 121.69 3de8 n ALA 20 Ca 0.04 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.43 3de8 n ALA 20 Cb 0.36 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 3de8 n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3de8 n ASP 21 N -1.20 1.96 -4.18 0.00 5.68 -1.26 -5.06 116.55 112.49 3de8 n ASP 21 Ca 0.14 -0.32 -0.11 0.00 -0.50 0.00 0.00 54.79 54.00 3de8 n ASP 21 Cb 0.48 1.13 -0.10 0.00 -1.14 0.00 0.00 41.12 41.49 3de8 n ASP 21 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3de8 s ASN 22 N -2.07 0.51 0.31 -1.12 2.20 -1.26 -5.06 114.94 108.45 3de8 s ASN 22 Ca 0.00 -1.23 0.14 0.00 -0.94 0.00 0.00 52.86 50.83 3de8 s ASN 22 Cb 0.04 0.26 0.48 0.00 -2.00 0.00 0.00 41.25 40.03 3de8 s ASN 22 CO 0.23 -0.71 1.66 0.00 -2.94 0.00 0.00 177.10 175.34 3de8 h ALA 23 N 2.79 0.98 -0.73 3.54 0.00 -1.90 -2.87 119.26 121.07 3de8 h ALA 23 Ca -0.36 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.01 3de8 h ALA 23 Cb 1.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3de8 h ALA 23 CO 0.59 0.65 0.21 0.00 0.00 0.00 0.00 179.25 180.71 3de8 h ALA 24 N 1.48 0.96 -0.32 0.00 0.00 -1.98 0.04 119.26 119.44 3de8 h ALA 24 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3de8 h ALA 24 Cb 1.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3de8 h ALA 24 CO 0.07 0.66 0.10 1.96 0.00 0.00 0.00 179.25 182.04 3de8 h GLN 25 N 1.10 0.50 -0.12 0.00 4.20 -1.95 -1.35 115.11 117.49 3de8 h GLN 25 Ca 0.23 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3de8 h GLN 25 Cb 0.33 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3de8 h GLN 25 CO -0.00 0.53 0.01 0.28 -0.67 0.00 0.00 178.83 178.98 3de8 h VAL 26 N 0.36 1.24 -0.85 -0.54 2.07 -1.40 -2.19 116.25 114.95 3de8 h VAL 26 Ca 0.10 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 66.94 3de8 h VAL 26 Cb 0.24 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 3de8 h VAL 26 CO -0.00 0.22 0.50 0.50 0.02 0.00 0.00 177.57 178.81 3de8 h LYS 27 N -0.05 0.81 -0.31 1.57 3.64 -0.90 -0.29 116.57 121.05 3de8 h LYS 27 Ca 0.03 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3de8 h LYS 27 Cb 0.34 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3de8 h LYS 27 CO 0.00 0.54 0.05 0.22 -2.27 0.00 0.00 179.45 177.99 3de8 h ASP 28 N 0.84 0.50 -0.36 4.20 1.82 -1.09 -1.37 116.42 120.96 3de8 h ASP 28 Ca 0.40 -0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 3de8 h ASP 28 Cb 0.34 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 3de8 h ASP 28 CO -0.24 0.63 0.19 0.00 -1.61 0.00 0.00 179.24 178.22 3de8 h ALA 29 N 0.88 0.46 -0.67 -0.78 0.00 -0.99 -2.05 119.26 116.11 3de8 h ALA 29 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3de8 h ALA 29 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3de8 h ALA 29 CO 0.01 -0.01 0.27 -0.07 0.00 0.00 0.00 179.25 179.44 3de8 h LEU 30 N 0.45 0.90 -0.67 0.00 3.38 -0.96 0.07 115.31 118.47 3de8 h LEU 30 Ca 0.13 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3de8 h LEU 30 Cb 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3de8 h LEU 30 CO -0.02 0.80 0.44 0.74 0.09 0.00 0.00 178.44 180.49 3de8 h THR 31 N 0.96 1.15 -0.60 0.22 2.02 -1.03 0.42 112.91 116.05 3de8 h THR 31 Ca 0.23 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 3de8 h THR 31 Cb 0.18 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3de8 h THR 31 CO -0.02 0.16 -0.02 0.11 0.37 0.00 0.00 175.52 176.12 3de8 h LYS 32 N 0.89 1.08 -0.56 6.66 1.57 -0.64 -2.72 116.57 122.84 3de8 h LYS 32 Ca 0.25 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3de8 h LYS 32 Cb -0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3de8 h LYS 32 CO -0.07 1.06 0.18 0.52 -0.57 0.00 0.00 179.45 180.57 3de8 h MET 33 N 0.98 0.88 -0.44 3.15 2.86 -0.56 -1.42 114.93 120.37 3de8 h MET 33 Ca 0.17 -0.19 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 3de8 h MET 33 Cb 0.59 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.04 3de8 h MET 33 CO 0.03 0.79 -0.01 -0.09 1.06 0.00 0.00 176.91 178.70 3de8 h ARG 34 N 0.79 0.09 -0.66 1.72 2.43 -0.80 0.59 114.38 118.55 3de8 h ARG 34 Ca 0.18 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3de8 h ARG 34 Cb 0.28 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3de8 h ARG 34 CO -0.01 0.06 0.16 0.00 -1.51 0.00 0.00 179.97 178.67 3de8 h ALA 35 N 1.40 0.87 -0.41 2.80 0.00 -1.15 -1.48 119.26 121.28 3de8 h ALA 35 Ca 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3de8 h ALA 35 Cb 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3de8 h ALA 35 CO -0.38 0.59 0.18 0.00 0.00 0.00 0.00 179.25 179.64 3de8 h ALA 36 N 1.06 0.53 -0.74 0.00 0.00 -0.86 -1.85 119.26 117.39 3de8 h ALA 36 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3de8 h ALA 36 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3de8 h ALA 36 CO 0.00 0.11 0.39 0.00 0.00 0.00 0.00 179.25 179.75 3de8 h ALA 37 N 1.03 0.95 -0.36 0.00 0.00 -0.59 0.14 119.26 120.43 3de8 h ALA 37 Ca 0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3de8 h ALA 37 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3de8 h ALA 37 CO -0.01 0.48 -0.17 -0.07 0.00 0.00 0.00 179.25 179.48 3de8 h LEU 38 N 1.03 0.66 -0.16 0.00 3.38 -1.12 -1.81 115.31 117.29 3de8 h LEU 38 Ca 0.26 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3de8 h LEU 38 Cb 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3de8 h LEU 38 CO -0.04 0.84 -0.16 -0.78 0.09 0.00 0.00 178.44 178.40 3de8 h ASP 39 N 0.60 0.41 -0.30 -0.43 3.58 -0.89 -3.14 116.42 116.24 3de8 h ASP 39 Ca 0.10 -0.48 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 3de8 h ASP 39 Cb 0.63 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 3de8 h ASP 39 CO 0.04 0.81 0.19 0.00 -2.88 0.00 0.00 179.24 177.40 3de8 h ALA 40 N 0.62 1.75 0.00 -0.78 0.00 -0.84 -2.11 119.26 117.89 3de8 h ALA 40 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3de8 h ALA 40 Cb 0.69 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3de8 h ALA 40 CO 0.04 0.22 -0.03 0.37 0.00 0.00 0.00 179.25 179.85 3de8 h GLN 41 N 0.43 0.00 -0.01 0.00 4.15 -1.28 -1.62 115.11 116.78 3de8 h GLN 41 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3de8 h GLN 41 Cb -0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3de8 h GLN 41 CO -0.02 0.03 -0.13 1.63 -1.93 0.00 0.00 178.83 178.41 3de8 n LYS 42 N -3.61 1.33 -2.76 1.69 5.02 -0.79 -4.77 118.16 114.27 3de8 n LYS 42 Ca -0.03 -0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 55.15 3de8 n LYS 42 Cb 0.13 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3de8 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3de8 s ALA 43 N -2.24 3.32 -0.34 7.82 0.00 -0.61 -5.07 121.76 124.65 3de8 s ALA 43 Ca 0.31 -0.20 -0.09 0.00 0.00 0.00 0.00 51.96 51.98 3de8 s ALA 43 Cb 0.20 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.61 3de8 s ALA 43 CO 0.42 -0.09 0.15 0.99 0.00 0.00 0.00 175.76 177.23 3de8 s THR 44 N -2.46 4.22 0.71 0.00 2.01 -1.26 -5.01 115.64 113.85 3de8 s THR 44 Ca 0.52 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 3de8 s THR 44 Cb -0.10 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.12 3de8 s THR 44 CO 0.34 -0.13 1.12 -2.16 -0.69 0.00 0.00 174.62 173.09 3de8 s PRO 45 N 1.50 2.51 0.31 4.92 0.04 -1.26 -4.82 135.00 138.21 3de8 s PRO 45 Ca 0.01 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.52 3de8 s PRO 45 Cb -0.19 -1.91 0.77 0.00 0.04 0.00 0.00 34.50 33.21 3de8 s PRO 45 CO 0.05 -1.48 1.78 -1.35 0.04 0.00 0.00 177.00 176.04 3de8 h PRO 46 N -0.36 0.71 0.00 0.56 0.11 -1.99 -1.27 132.00 129.76 3de8 h PRO 46 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3de8 h PRO 46 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3de8 h PRO 46 CO 0.52 0.47 0.00 1.63 -0.21 0.00 0.00 178.00 180.41 3de8 n LYS 47 N -4.74 0.24 -0.11 1.05 5.02 -1.26 -2.61 118.16 115.75 3de8 n LYS 47 Ca 0.23 0.07 0.06 0.00 -2.02 0.00 0.00 58.31 56.66 3de8 n LYS 47 Cb 0.59 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.21 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 -1.35 2.51 -0.12 -0.35 4.77 -0.50 -4.78 117.00 117.18 3de8 n LEU 48 Ca 0.10 -2.66 0.02 0.00 -0.03 0.00 0.00 56.01 53.43 3de8 n LEU 48 Cb 0.22 -0.30 0.32 0.00 -2.33 0.00 0.00 43.42 41.32 3de8 n LEU 48 CO 0.19 0.64 1.19 -0.08 -1.33 0.00 0.00 177.39 178.01 3de8 h GLU 49 N 0.43 0.79 -0.51 3.23 4.57 -1.26 -2.20 114.58 119.62 3de8 h GLU 49 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3de8 h GLU 49 Cb 0.89 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3de8 h GLU 49 CO 0.03 0.53 0.00 -0.25 -1.18 0.00 0.00 179.01 178.14 3de8 n ASP 50 N -4.44 5.26 -4.92 1.04 10.43 -1.26 -4.91 116.55 117.75 3de8 n ASP 50 Ca 0.06 -2.90 -0.29 0.00 2.57 0.00 0.00 54.79 54.23 3de8 n ASP 50 Cb 0.05 -0.64 -0.04 0.00 1.84 0.00 0.00 41.12 42.33 3de8 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3de8 s LYS 51 N -2.69 3.41 0.62 -1.24 3.01 -0.83 -5.11 119.74 116.90 3de8 s LYS 51 Ca 0.52 -0.53 -0.18 0.00 -1.01 0.00 0.00 55.97 54.77 3de8 s LYS 51 Cb 0.39 -2.99 -0.02 0.00 -1.01 0.00 0.00 37.83 34.20 3de8 s LYS 51 CO 0.15 0.57 1.17 -1.54 0.51 0.00 0.00 175.35 176.21 3de8 s SER 52 N -2.83 5.12 0.34 2.83 1.04 -1.26 -4.97 113.70 113.97 3de8 s SER 52 Ca 0.34 2.27 0.04 0.00 0.48 0.00 0.00 55.95 59.09 3de8 s SER 52 Cb -0.12 -2.59 0.61 0.00 0.10 0.00 0.00 66.02 64.03 3de8 s SER 52 CO 0.28 -1.63 1.90 1.55 0.98 0.00 0.00 173.24 176.32 3de8 h PRO 53 N 0.61 0.58 -0.69 4.02 0.13 -1.98 -2.20 132.00 132.47 3de8 h PRO 53 Ca -0.49 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3de8 h PRO 53 Cb 1.28 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3de8 h PRO 53 CO 0.54 0.55 0.00 -0.40 -0.23 0.00 0.00 178.00 178.46 3de8 n ASP 54 N -4.31 4.45 -4.60 1.44 3.85 -1.26 -4.54 116.55 111.57 3de8 n ASP 54 Ca 0.02 -2.29 -0.35 0.00 -0.71 0.00 0.00 54.79 51.46 3de8 n ASP 54 Cb 0.21 -0.55 0.10 0.00 -1.35 0.00 0.00 41.12 39.53 3de8 n ASP 54 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3de8 n SER 55 N 1.31 0.19 -0.27 -1.12 3.41 -0.83 -4.69 113.62 111.61 3de8 n SER 55 Ca 0.25 0.60 0.17 0.00 -0.26 0.00 0.00 58.87 59.63 3de8 n SER 55 Cb 0.79 -1.40 0.45 0.00 -0.26 0.00 0.00 64.21 63.80 3de8 n SER 55 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3de8 h PRO 56 N -0.60 0.52 -0.09 4.33 0.11 -1.95 -0.97 132.00 133.35 3de8 h PRO 56 Ca -0.46 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3de8 h PRO 56 Cb 1.32 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3de8 h PRO 56 CO 0.45 0.34 -0.37 0.93 -0.21 0.00 0.00 178.00 179.14 3de8 h GLU 57 N 0.53 0.41 -0.29 1.05 3.07 -1.91 -1.88 114.58 115.55 3de8 h GLU 57 Ca 0.49 -0.32 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 3de8 h GLU 57 Cb 1.05 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 3de8 h GLU 57 CO -0.23 0.95 -0.29 0.52 -1.40 0.00 0.00 179.01 178.56 3de8 h MET 58 N -0.04 0.60 -0.15 2.33 2.86 -1.75 -0.52 114.93 118.27 3de8 h MET 58 Ca -0.02 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.38 3de8 h MET 58 Cb 1.01 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 3de8 h MET 58 CO 0.08 0.82 0.05 1.25 1.06 0.00 0.00 176.91 180.17 3de8 h HIS 59 N 0.51 0.10 -0.46 -0.22 6.17 -1.20 -1.50 115.15 118.55 3de8 h HIS 59 Ca 0.07 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.14 3de8 h HIS 59 Cb 0.76 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.65 3de8 h HIS 59 CO 0.03 0.05 0.24 0.22 0.71 0.00 0.00 177.93 179.18 3de8 h ASP 60 N 0.13 0.58 0.11 3.26 3.58 -1.15 -1.56 116.42 121.37 3de8 h ASP 60 Ca 0.06 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.42 3de8 h ASP 60 Cb 0.03 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 3de8 h ASP 60 CO -0.06 0.52 -0.23 0.15 -2.88 0.00 0.00 179.24 176.73 3de8 h PHE 61 N 0.60 -0.62 -0.59 0.28 3.57 -0.95 -1.45 116.94 117.77 3de8 h PHE 61 Ca 0.16 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.70 3de8 h PHE 61 Cb 0.08 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 3de8 h PHE 61 CO -0.02 -0.33 0.35 0.00 -2.23 0.00 0.00 178.31 176.08 3de8 h ARG 62 N -0.43 0.67 0.00 1.11 3.08 -1.10 -2.21 114.38 115.50 3de8 h ARG 62 Ca 0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3de8 h ARG 62 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3de8 h ARG 62 CO -0.13 0.44 -0.16 0.45 -1.07 0.00 0.00 179.97 179.49 3de8 h HIS 63 N 0.69 0.00 -1.00 3.04 3.86 -0.89 -1.79 115.15 119.05 3de8 h HIS 63 Ca 0.24 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.48 3de8 h HIS 63 Cb 0.05 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 3de8 h HIS 63 CO -0.06 0.16 0.65 0.78 0.86 0.00 0.00 177.93 180.32 3de8 h GLY 64 N 0.90 1.44 1.95 2.45 0.00 -0.62 -2.05 103.07 107.13 3de8 h GLY 64 Ca -0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 3de8 h GLY 64 CO 0.02 0.45 -0.68 0.74 0.00 0.00 0.00 176.54 177.07 3de8 h PHE 65 N 1.28 0.07 -0.63 5.60 -1.00 -1.34 -1.61 116.94 119.32 3de8 h PHE 65 Ca 0.39 -0.03 0.03 0.00 2.81 0.00 0.00 57.97 61.17 3de8 h PHE 65 Cb -0.04 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.47 3de8 h PHE 65 CO -0.00 0.72 0.38 -0.44 -1.61 0.00 0.00 178.31 177.36 3de8 h ASP 66 N 0.04 0.61 -0.28 2.17 3.32 -1.18 0.25 116.42 121.35 3de8 h ASP 66 Ca -0.01 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3de8 h ASP 66 Cb 1.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3de8 h ASP 66 CO 0.09 0.42 0.09 0.40 -1.72 0.00 0.00 179.24 178.52 3de8 h ILE 67 N 0.74 1.20 -0.41 0.35 1.08 -1.18 -1.63 117.51 117.67 3de8 h ILE 67 Ca 0.26 -0.63 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 3de8 h ILE 67 Cb 0.05 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 3de8 h ILE 67 CO -0.12 0.21 0.18 0.25 -0.69 0.00 0.00 178.15 177.99 3de8 h LEU 68 N 0.30 0.55 -1.09 1.44 5.85 -1.00 -1.48 115.31 119.88 3de8 h LEU 68 Ca 0.09 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3de8 h LEU 68 Cb 0.24 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3de8 h LEU 68 CO -0.00 0.54 0.39 0.58 -0.34 0.00 0.00 178.44 179.61 3de8 h VAL 69 N 0.52 1.22 -0.76 1.05 2.07 -0.43 0.17 116.25 120.09 3de8 h VAL 69 Ca 0.14 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 3de8 h VAL 69 Cb 0.15 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3de8 h VAL 69 CO -0.02 0.25 0.26 1.23 0.02 0.00 0.00 177.57 179.32 3de8 h GLY 70 N 1.07 1.25 1.19 2.17 0.00 -0.96 -0.05 103.07 107.74 3de8 h GLY 70 Ca 0.26 -0.72 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 3de8 h GLY 70 CO -0.04 0.67 -0.37 1.46 0.00 0.00 0.00 176.54 178.26 3de8 h GLN 71 N 1.13 0.89 -0.77 4.80 4.20 -0.69 -1.90 115.11 122.77 3de8 h GLN 71 Ca 0.25 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3de8 h GLN 71 Cb 0.27 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 3de8 h GLN 71 CO -0.01 1.11 0.50 0.82 -0.67 0.00 0.00 178.83 180.57 3de8 h ILE 72 N 0.73 1.20 -0.07 2.54 2.04 -0.80 -1.36 117.51 121.79 3de8 h ILE 72 Ca 0.06 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3de8 h ILE 72 Cb 0.95 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3de8 h ILE 72 CO 0.09 0.20 -0.09 -0.74 0.00 0.00 0.00 178.15 177.61 3de8 h HIS 73 N 1.05 -0.23 -0.66 1.37 2.76 -0.65 0.16 115.15 118.95 3de8 h HIS 73 Ca 0.28 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 3de8 h HIS 73 Cb -0.10 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 3de8 h HIS 73 CO -0.02 -0.14 0.32 -0.44 -1.30 0.00 0.00 177.93 176.35 3de8 h ASP 74 N -0.13 0.84 -0.34 3.26 3.32 -1.10 -1.51 116.42 120.76 3de8 h ASP 74 Ca 0.06 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 3de8 h ASP 74 Cb 0.21 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3de8 h ASP 74 CO -0.15 0.71 -0.15 0.00 -1.72 0.00 0.00 179.24 177.93 3de8 h ALA 75 N 1.42 0.93 -0.40 3.45 0.00 -0.69 -2.89 119.26 121.08 3de8 h ALA 75 Ca 0.23 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3de8 h ALA 75 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3de8 h ALA 75 CO -0.03 0.62 -0.17 1.25 0.00 0.00 0.00 179.25 180.92 3de8 h LEU 76 N 0.71 0.75 -0.98 0.00 7.12 -0.19 -1.54 115.31 121.18 3de8 h LEU 76 Ca 0.11 -0.25 -0.02 0.00 0.13 0.00 0.00 57.88 57.86 3de8 h LEU 76 Cb 0.65 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.54 3de8 h LEU 76 CO 0.05 0.92 0.47 0.45 -0.13 0.00 0.00 178.44 180.20 3de8 h HIS 77 N 0.67 1.16 -0.53 1.25 3.86 -1.17 0.19 115.15 120.58 3de8 h HIS 77 Ca 0.10 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 3de8 h HIS 77 Cb 0.66 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 3de8 h HIS 77 CO 0.03 0.80 0.08 -0.07 0.86 0.00 0.00 177.93 179.63 3de8 h LEU 78 N 1.19 0.84 -0.60 2.43 3.38 -1.23 -2.05 115.31 119.27 3de8 h LEU 78 Ca 0.30 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3de8 h LEU 78 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3de8 h LEU 78 CO -0.05 0.89 0.11 0.00 0.09 0.00 0.00 178.44 179.48 3de8 h ALA 79 N 0.98 0.80 -0.02 1.53 0.00 -0.86 -1.20 119.26 120.49 3de8 h ALA 79 Ca 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3de8 h ALA 79 Cb 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3de8 h ALA 79 CO 0.01 0.54 0.05 -0.91 0.00 0.00 0.00 179.25 178.94 3de8 h ASN 80 N 0.89 0.00 -0.21 0.00 -0.26 -0.49 -0.92 115.58 114.59 3de8 h ASN 80 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3de8 h ASN 80 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 3de8 h ASN 80 CO 0.01 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 175.76 3de8 n GLU 81 N -3.38 2.09 -1.01 0.81 1.02 -0.69 -4.93 120.64 114.55 3de8 n GLU 81 Ca -0.02 -1.62 -0.00 0.00 -0.02 0.00 0.00 57.16 55.49 3de8 n GLU 81 Cb 0.13 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.30 0.46 3.47 0.62 0.00 -0.35 -4.96 105.19 105.73 3de8 n GLY 82 Ca 0.17 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3de8 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3de8 s LYS 83 N -0.54 4.00 0.04 1.61 1.02 -0.54 -4.84 119.74 120.50 3de8 s LYS 83 Ca 0.00 -2.40 -0.27 0.00 0.02 0.00 0.00 55.97 53.32 3de8 s LYS 83 Cb 0.00 -5.07 -0.17 0.00 -0.52 0.00 0.00 37.83 32.07 3de8 s LYS 83 CO 0.00 -1.80 1.41 0.28 -0.92 0.00 0.00 175.35 174.32 3de8 h VAL 84 N 4.92 0.62 -0.70 3.17 2.07 -1.91 -0.87 116.25 123.55 3de8 h VAL 84 Ca 0.30 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3de8 h VAL 84 Cb 0.90 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3de8 h VAL 84 CO 1.24 0.06 0.31 0.11 0.02 0.00 0.00 177.57 179.31 3de8 h LYS 85 N -0.71 1.03 -0.76 1.57 1.57 -1.98 -0.24 116.57 117.06 3de8 h LYS 85 Ca -0.05 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 3de8 h LYS 85 Cb 0.50 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3de8 h LYS 85 CO 0.09 0.84 0.33 0.93 -0.57 0.00 0.00 179.45 181.06 3de8 h GLU 86 N 0.99 1.11 -0.43 3.15 5.08 -1.95 -0.83 114.58 121.70 3de8 h GLU 86 Ca 0.24 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3de8 h GLU 86 Cb 0.17 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3de8 h GLU 86 CO -0.02 0.89 -0.18 0.00 -1.00 0.00 0.00 179.01 178.70 3de8 h ALA 87 N 1.17 0.88 -0.64 3.43 0.00 -0.69 -1.32 119.26 122.08 3de8 h ALA 87 Ca 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3de8 h ALA 87 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3de8 h ALA 87 CO -0.03 0.63 0.33 1.96 0.00 0.00 0.00 179.25 182.15 3de8 h GLN 88 N 0.73 0.91 -0.81 0.00 4.20 -0.80 0.47 115.11 119.82 3de8 h GLN 88 Ca 0.11 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3de8 h GLN 88 Cb 0.69 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 3de8 h GLN 88 CO 0.05 0.71 0.40 0.00 -0.67 0.00 0.00 178.83 179.32 3de8 h ALA 89 N 1.16 1.05 -0.39 3.87 0.00 -0.88 0.53 119.26 124.59 3de8 h ALA 89 Ca 0.22 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3de8 h ALA 89 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3de8 h ALA 89 CO -0.03 0.60 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 3de8 h ALA 90 N 1.21 0.93 -0.63 0.00 0.00 -0.85 -1.76 119.26 118.16 3de8 h ALA 90 Ca 0.28 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3de8 h ALA 90 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3de8 h ALA 90 CO -0.04 0.62 0.08 0.00 0.00 0.00 0.00 179.25 179.91 3de8 h ALA 91 N 1.12 0.83 -0.75 0.00 0.00 -0.46 -2.71 119.26 117.30 3de8 h ALA 91 Ca 0.10 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3de8 h ALA 91 Cb 0.68 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3de8 h ALA 91 CO 0.05 0.61 0.46 0.93 0.00 0.00 0.00 179.25 181.30 3de8 h GLU 92 N 0.96 0.83 0.00 0.00 4.39 -0.60 -2.48 114.58 117.68 3de8 h GLU 92 Ca 0.19 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3de8 h GLU 92 Cb 0.46 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3de8 h GLU 92 CO 0.02 0.55 0.00 1.96 -1.16 0.00 0.00 179.01 180.38 3de8 h GLN 93 N 0.86 0.00 -0.62 2.33 1.08 -1.02 -2.70 115.11 115.03 3de8 h GLN 93 Ca 0.32 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.70 3de8 h GLN 93 Cb 0.11 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 3de8 h GLN 93 CO -0.15 0.00 0.46 -0.07 -0.95 0.00 0.00 178.83 178.12 3de8 h LEU 94 N 0.00 0.00 -2.08 1.46 3.38 -1.18 -3.07 115.31 113.82 3de8 h LEU 94 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3de8 h LEU 94 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3de8 h LEU 94 CO 0.00 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.60 3de8 h LYS 95 N 0.00 0.00 -0.05 1.13 1.57 -1.64 0.76 116.57 118.34 3de8 h LYS 95 Ca 0.30 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 3de8 h LYS 95 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3de8 h LYS 95 CO -0.00 0.04 -0.32 1.79 -0.57 0.00 0.00 179.45 180.38 3de8 h THR 96 N 0.00 1.25 -0.14 -0.16 1.35 -1.79 0.19 112.91 113.60 3de8 h THR 96 Ca -0.00 -1.17 -0.14 0.00 -0.55 0.00 0.00 66.41 64.54 3de8 h THR 96 Cb 0.07 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3de8 h THR 96 CO 0.00 0.34 -0.47 0.74 -0.25 0.00 0.00 175.52 175.88 3de8 h THR 97 N 0.08 1.35 -0.03 6.82 2.02 -1.08 -0.22 112.91 121.85 3de8 h THR 97 Ca 0.01 -1.75 0.04 0.00 0.77 0.00 0.00 66.41 65.47 3de8 h THR 97 Cb 0.61 2.05 -0.05 0.00 -1.74 0.00 0.00 68.15 69.02 3de8 h THR 97 CO 0.04 0.53 -0.25 0.00 0.37 0.00 0.00 175.52 176.21 3de8 h ASN 99 N -0.37 0.42 -0.63 0.00 -0.26 -0.56 -1.69 115.58 112.48 3de8 h ASN 99 Ca 0.07 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 3de8 h ASN 99 Cb 0.48 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.64 3de8 h ASN 99 CO -0.25 0.29 0.37 0.00 -1.06 0.00 0.00 177.43 176.78 3de8 h ALA 100 N 1.26 0.80 -0.36 -0.83 0.00 -0.93 -1.18 119.26 118.02 3de8 h ALA 100 Ca 0.22 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3de8 h ALA 100 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3de8 h ALA 100 CO -0.13 0.29 -0.22 0.00 0.00 0.00 0.00 179.25 179.19 3de8 h HIS 102 N 0.57 1.02 0.00 0.00 -0.00 -0.94 -0.37 115.15 115.44 3de8 h HIS 102 Ca 0.08 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 3de8 h HIS 102 Cb 0.77 -0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.84 3de8 h HIS 102 CO 0.06 0.61 -0.06 1.96 -0.00 0.00 0.00 177.93 180.49 3de8 h GLN 103 N 1.07 0.00 0.05 2.45 7.50 -1.12 -2.21 115.11 122.85 3de8 h GLN 103 Ca 0.33 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 59.13 3de8 h GLN 103 Cb -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.48 3de8 h GLN 103 CO -0.09 0.06 -1.97 1.63 -1.50 0.00 0.00 178.83 176.96 3de8 n LYS 104 N -4.45 0.66 0.00 1.46 5.02 -0.69 -4.83 118.16 115.33 3de8 n LYS 104 Ca -0.03 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3de8 n LYS 104 Cb 0.14 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 3de8 n LYS 104 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3de8 n TYR 105 N -3.83 0.00 1.92 2.13 4.02 -0.23 -5.12 117.16 116.05 3de8 n TYR 105 Ca -0.38 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.66 3de8 n TYR 105 Cb 0.91 0.00 0.88 0.00 -0.02 0.00 0.00 39.34 41.11 3de8 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72