#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 2.39 0.17 0.00 1.47 -1.26 -4.77 116.67 114.68 3de8 s ASP 2 Ca 0.00 0.72 -0.14 0.00 1.18 0.00 0.00 52.55 54.31 3de8 s ASP 2 Cb 0.00 -1.07 0.10 0.00 -0.34 0.00 0.00 42.92 41.61 3de8 s ASP 2 CO 0.00 -3.22 1.80 0.25 0.68 0.00 0.00 175.17 174.68 3de8 h LEU 3 N -1.96 0.42 -0.42 2.11 6.46 -1.92 -2.21 115.31 117.78 3de8 h LEU 3 Ca -0.48 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.15 3de8 h LEU 3 Cb 1.30 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 3de8 h LEU 3 CO 0.47 0.29 -0.30 -0.33 -0.62 0.00 0.00 178.44 177.95 3de8 h GLU 4 N 0.53 0.95 -0.42 1.25 5.08 -1.99 -1.45 114.58 118.54 3de8 h GLU 4 Ca 0.20 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3de8 h GLU 4 Cb 0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3de8 h GLU 4 CO -0.12 1.12 0.13 0.22 -1.00 0.00 0.00 179.01 179.36 3de8 h ASP 5 N 0.78 0.62 -0.84 1.42 1.82 -1.90 -1.03 116.42 117.29 3de8 h ASP 5 Ca 0.08 -0.21 -0.03 0.00 -0.39 0.00 0.00 57.03 56.48 3de8 h ASP 5 Cb 0.89 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.70 3de8 h ASP 5 CO 0.08 0.67 0.39 0.78 -1.61 0.00 0.00 179.24 179.55 3de8 h ASN 6 N 0.54 1.11 -0.49 2.28 2.35 -1.37 -1.76 115.58 118.25 3de8 h ASN 6 Ca 0.14 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3de8 h ASN 6 Cb 0.27 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3de8 h ASN 6 CO -0.00 0.94 0.11 0.24 -1.65 0.00 0.00 177.43 177.06 3de8 h MET 7 N 1.20 0.85 -0.47 0.81 2.86 -0.98 -1.13 114.93 118.08 3de8 h MET 7 Ca 0.29 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 3de8 h MET 7 Cb 0.14 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3de8 h MET 7 CO -0.03 0.78 -0.12 0.93 1.06 0.00 0.00 176.91 179.53 3de8 h GLU 8 N 0.81 0.91 -0.62 1.72 4.39 -0.99 -1.01 114.58 119.79 3de8 h GLU 8 Ca 0.17 -0.35 0.05 0.00 0.34 0.00 0.00 59.36 59.57 3de8 h GLU 8 Cb 0.34 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 3de8 h GLU 8 CO 0.00 1.01 0.34 1.15 -1.16 0.00 0.00 179.01 180.35 3de8 h THR 9 N 0.75 0.97 0.27 1.13 2.02 -1.09 0.28 112.91 117.25 3de8 h THR 9 Ca 0.12 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3de8 h THR 9 Cb 0.68 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3de8 h THR 9 CO 0.05 0.12 -0.13 -0.07 0.37 0.00 0.00 175.52 175.86 3de8 h LEU 10 N 0.64 -0.30 -0.64 2.58 4.07 -0.99 -1.00 115.31 119.67 3de8 h LEU 10 Ca 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 3de8 h LEU 10 Cb 0.16 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 3de8 h LEU 10 CO -0.17 -0.21 0.35 -1.13 -1.08 0.00 0.00 178.44 176.21 3de8 h ASN 11 N -0.37 0.81 -0.20 -0.43 -1.24 -0.97 -1.99 115.58 111.19 3de8 h ASN 11 Ca -0.04 -0.09 0.02 0.00 0.71 0.00 0.00 56.30 56.90 3de8 h ASN 11 Cb 0.28 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 3de8 h ASN 11 CO 0.06 0.67 0.07 0.44 -1.29 0.00 0.00 177.43 177.38 3de8 h ASP 12 N 0.88 0.09 0.46 1.15 3.32 -0.34 -2.76 116.42 119.22 3de8 h ASP 12 Ca 0.23 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 3de8 h ASP 12 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3de8 h ASP 12 CO -0.04 0.08 -0.36 0.78 -1.72 0.00 0.00 179.24 177.98 3de8 h ASN 13 N 0.17 0.00 -0.45 6.45 4.21 -1.01 -1.96 115.58 123.00 3de8 h ASN 13 Ca 0.08 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 3de8 h ASN 13 Cb 0.05 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 3de8 h ASN 13 CO -0.08 0.36 0.24 0.25 -1.29 0.00 0.00 177.43 176.91 3de8 h LEU 14 N 0.00 0.56 -0.89 1.61 5.85 -1.20 -0.25 115.31 121.00 3de8 h LEU 14 Ca -0.00 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3de8 h LEU 14 Cb 0.69 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3de8 h LEU 14 CO 0.05 0.50 0.35 0.11 -0.34 0.00 0.00 178.44 179.11 3de8 h LYS 15 N 0.58 1.16 -0.05 1.25 1.57 -1.18 -1.23 116.57 118.66 3de8 h LYS 15 Ca 0.16 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3de8 h LYS 15 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3de8 h LYS 15 CO -0.02 0.91 -0.03 0.28 -0.57 0.00 0.00 179.45 180.02 3de8 h VAL 16 N 1.14 0.91 -0.23 0.50 2.07 -1.01 -0.85 116.25 118.78 3de8 h VAL 16 Ca 0.27 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.83 3de8 h VAL 16 Cb 0.16 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3de8 h VAL 16 CO -0.03 0.00 -0.04 0.40 0.02 0.00 0.00 177.57 177.92 3de8 h ILE 17 N -0.02 0.79 -0.29 4.57 2.04 -0.61 -0.46 117.51 123.53 3de8 h ILE 17 Ca 0.03 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 3de8 h ILE 17 Cb 0.07 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3de8 h ILE 17 CO -0.07 0.00 -0.10 -0.08 0.00 0.00 0.00 178.15 177.90 3de8 h GLU 18 N 0.02 0.48 -0.33 2.37 4.57 -1.08 -2.64 114.58 117.96 3de8 h GLU 18 Ca 0.11 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3de8 h GLU 18 Cb 0.16 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3de8 h GLU 18 CO -0.22 0.59 -0.25 0.87 -1.18 0.00 0.00 179.01 178.82 3de8 h LYS 19 N 0.45 0.67 -7.12 1.92 1.57 -0.64 -3.46 116.57 109.95 3de8 h LYS 19 Ca 0.09 -0.27 -0.55 0.00 -1.87 0.00 0.00 60.65 58.04 3de8 h LYS 19 Cb 0.46 -0.03 0.16 0.00 0.08 0.00 0.00 32.23 32.90 3de8 h LYS 19 CO 0.03 0.86 0.49 0.00 -0.57 0.00 0.00 179.45 180.25 3de8 s ALA 20 N -4.53 2.32 -1.00 3.86 0.00 -0.23 -4.96 121.76 117.23 3de8 s ALA 20 Ca -0.08 1.15 0.10 0.00 0.00 0.00 0.00 51.96 53.12 3de8 s ALA 20 Cb 0.13 -3.54 0.21 0.00 0.00 0.00 0.00 23.12 19.93 3de8 s ALA 20 CO 0.82 -1.65 1.09 -0.40 0.00 0.00 0.00 175.76 175.63 3de8 n ASP 21 N -2.06 2.51 -3.83 0.00 3.85 -1.26 -5.02 116.55 110.73 3de8 n ASP 21 Ca 0.15 -1.80 -0.12 0.00 -0.71 0.00 0.00 54.79 52.31 3de8 n ASP 21 Cb 0.49 -0.14 -0.10 0.00 -1.35 0.00 0.00 41.12 40.01 3de8 n ASP 21 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3de8 s ASN 22 N -0.95 -0.08 0.33 -1.12 4.22 -1.26 -5.05 114.94 111.03 3de8 s ASN 22 Ca 0.18 0.03 0.00 0.00 -2.14 0.00 0.00 52.86 50.93 3de8 s ASN 22 Cb 0.10 0.29 0.55 0.00 1.28 0.00 0.00 41.25 43.47 3de8 s ASN 22 CO 0.14 -0.29 1.99 0.00 -2.04 0.00 0.00 177.10 176.90 3de8 h ALA 23 N 4.66 1.49 -0.55 3.54 0.00 -1.90 -2.80 119.26 123.71 3de8 h ALA 23 Ca -0.29 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3de8 h ALA 23 Cb 1.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3de8 h ALA 23 CO 0.40 0.47 0.10 0.00 0.00 0.00 0.00 179.25 180.22 3de8 h ALA 24 N 1.55 1.14 -0.35 0.00 0.00 -1.95 -0.02 119.26 119.63 3de8 h ALA 24 Ca 0.26 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3de8 h ALA 24 Cb -0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3de8 h ALA 24 CO -0.06 0.57 -0.44 0.37 0.00 0.00 0.00 179.25 179.69 3de8 h GLN 25 N 0.82 0.91 -0.94 0.00 4.15 -1.93 -2.44 115.11 115.69 3de8 h GLN 25 Ca 0.17 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.08 3de8 h GLN 25 Cb 0.36 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 3de8 h GLN 25 CO 0.01 1.16 0.60 0.28 -1.93 0.00 0.00 178.83 178.95 3de8 h VAL 26 N 0.73 1.25 -0.43 2.39 2.07 -1.20 -2.05 116.25 119.01 3de8 h VAL 26 Ca 0.05 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3de8 h VAL 26 Cb 1.04 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3de8 h VAL 26 CO 0.10 0.25 0.17 0.50 0.02 0.00 0.00 177.57 178.61 3de8 h LYS 27 N 1.28 0.64 -0.63 1.57 3.64 -0.83 0.39 116.57 122.63 3de8 h LYS 27 Ca 0.34 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 3de8 h LYS 27 Cb -0.11 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.55 3de8 h LYS 27 CO -0.07 0.59 0.33 -0.44 -2.27 0.00 0.00 179.45 177.59 3de8 h ASP 28 N 0.55 0.47 -0.16 4.20 3.45 -1.10 -1.39 116.42 122.44 3de8 h ASP 28 Ca 0.14 0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.53 3de8 h ASP 28 Cb 0.19 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3de8 h ASP 28 CO -0.01 0.30 -0.32 0.00 -1.57 0.00 0.00 179.24 177.64 3de8 h ALA 29 N 1.35 0.25 -0.98 3.45 0.00 -0.87 -2.91 119.26 119.54 3de8 h ALA 29 Ca 0.29 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3de8 h ALA 29 Cb 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3de8 h ALA 29 CO -0.20 0.29 0.63 -0.07 0.00 0.00 0.00 179.25 179.90 3de8 h LEU 30 N 0.12 1.02 -0.89 0.00 3.38 -0.84 -1.26 115.31 116.85 3de8 h LEU 30 Ca 0.01 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3de8 h LEU 30 Cb 0.91 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3de8 h LEU 30 CO 0.07 0.66 0.56 0.74 0.09 0.00 0.00 178.44 180.56 3de8 h THR 31 N 1.17 1.08 -0.09 0.22 2.02 -1.17 0.51 112.91 116.64 3de8 h THR 31 Ca 0.42 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 67.12 3de8 h THR 31 Cb 0.13 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3de8 h THR 31 CO -0.16 0.19 -0.47 0.11 0.37 0.00 0.00 175.52 175.56 3de8 h LYS 32 N 1.04 0.22 -0.45 6.66 1.57 -1.19 -2.58 116.57 121.85 3de8 h LYS 32 Ca 0.37 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.94 3de8 h LYS 32 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3de8 h LYS 32 CO -0.15 0.65 -0.11 0.52 -0.57 0.00 0.00 179.45 179.78 3de8 h MET 33 N 0.18 0.86 -0.17 3.15 2.86 -0.39 -1.98 114.93 119.45 3de8 h MET 33 Ca 0.01 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3de8 h MET 33 Cb 0.90 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 3de8 h MET 33 CO 0.07 0.97 0.01 -0.09 1.06 0.00 0.00 176.91 178.94 3de8 h ARG 34 N 0.70 0.07 -0.94 1.72 2.43 -0.73 0.17 114.38 117.79 3de8 h ARG 34 Ca 0.11 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3de8 h ARG 34 Cb 0.66 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 3de8 h ARG 34 CO 0.05 0.05 0.62 0.00 -1.51 0.00 0.00 179.97 179.17 3de8 h ALA 35 N 1.13 1.37 -0.29 2.80 0.00 -1.43 -1.80 119.26 121.04 3de8 h ALA 35 Ca 0.08 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3de8 h ALA 35 Cb 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3de8 h ALA 35 CO -0.12 0.55 -0.38 0.00 0.00 0.00 0.00 179.25 179.30 3de8 h ALA 36 N 1.44 0.43 -0.51 0.00 0.00 -0.92 -1.57 119.26 118.13 3de8 h ALA 36 Ca 0.36 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3de8 h ALA 36 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3de8 h ALA 36 CO -0.10 0.53 0.14 0.00 0.00 0.00 0.00 179.25 179.82 3de8 h ALA 37 N 0.69 0.67 -0.40 0.00 0.00 -0.83 -1.32 119.26 118.07 3de8 h ALA 37 Ca 0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3de8 h ALA 37 Cb 0.97 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3de8 h ALA 37 CO 0.09 0.34 -0.11 -0.07 0.00 0.00 0.00 179.25 179.50 3de8 h LEU 38 N 0.70 0.69 -1.18 0.00 3.38 -1.29 -1.87 115.31 115.74 3de8 h LEU 38 Ca 0.16 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3de8 h LEU 38 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3de8 h LEU 38 CO -0.00 0.83 -0.28 -0.78 0.09 0.00 0.00 178.44 178.30 3de8 h ASP 39 N 0.64 0.00 1.36 -0.43 3.58 -1.13 -3.17 116.42 117.27 3de8 h ASP 39 Ca 0.11 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 3de8 h ASP 39 Cb 0.56 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3de8 h ASP 39 CO 0.04 0.28 -0.66 0.00 -2.88 0.00 0.00 179.24 176.02 3de8 h ALA 40 N 1.72 0.70 0.00 -0.78 0.00 -0.68 -3.37 119.26 116.86 3de8 h ALA 40 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3de8 h ALA 40 Cb 0.74 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3de8 h ALA 40 CO 0.04 0.52 -0.02 0.37 0.00 0.00 0.00 179.25 180.15 3de8 h GLN 41 N 0.00 0.00 0.00 0.00 4.15 -1.33 -2.03 115.11 115.91 3de8 h GLN 41 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3de8 h GLN 41 Cb 1.32 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 3de8 h GLN 41 CO 0.04 0.02 -0.10 1.57 -1.93 0.00 0.00 178.83 178.44 3de8 h LYS 42 N 0.00 0.00 -7.15 1.69 2.10 -1.75 -3.47 116.57 107.99 3de8 h LYS 42 Ca -0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.17 3de8 h LYS 42 Cb 0.13 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.50 3de8 h LYS 42 CO 0.00 0.10 0.38 0.00 -2.00 0.00 0.00 179.45 177.93 3de8 s ALA 43 N -3.74 2.88 -0.24 0.07 0.00 -0.76 -5.06 121.76 114.91 3de8 s ALA 43 Ca 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.28 3de8 s ALA 43 Cb 0.10 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3de8 s ALA 43 CO 0.58 -0.45 0.11 0.99 0.00 0.00 0.00 175.76 176.99 3de8 s THR 44 N -2.34 4.84 0.42 0.00 2.01 -1.26 -5.02 115.64 114.29 3de8 s THR 44 Ca 0.63 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.47 3de8 s THR 44 Cb -0.14 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 3de8 s THR 44 CO 0.29 0.35 0.88 -2.16 -0.69 0.00 0.00 174.62 173.28 3de8 s PRO 45 N 1.25 4.04 0.27 4.92 0.04 -1.26 -4.88 135.00 139.38 3de8 s PRO 45 Ca 0.06 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 61.93 3de8 s PRO 45 Cb -0.14 -2.26 0.53 0.00 0.04 0.00 0.00 34.50 32.67 3de8 s PRO 45 CO 0.05 -0.04 1.61 -1.35 0.04 0.00 0.00 177.00 177.30 3de8 h PRO 46 N 1.66 0.06 0.00 0.56 0.11 -1.99 -0.57 132.00 131.82 3de8 h PRO 46 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3de8 h PRO 46 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3de8 h PRO 46 CO 0.63 0.04 -0.06 -0.22 -0.21 0.00 0.00 178.00 178.18 3de8 h LYS 47 N 0.06 0.00 -0.21 1.05 3.64 -1.93 -2.29 116.57 116.89 3de8 h LYS 47 Ca 0.48 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.82 3de8 h LYS 47 Cb 0.88 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 3de8 h LYS 47 CO -0.79 0.06 -0.03 1.28 -2.27 0.00 0.00 179.45 177.70 3de8 n LEU 48 N -3.25 3.53 0.31 5.20 4.77 -0.29 -4.74 117.00 122.54 3de8 n LEU 48 Ca -0.01 -3.20 0.20 0.00 -0.03 0.00 0.00 56.01 52.97 3de8 n LEU 48 Cb 0.26 -0.53 0.97 0.00 -2.33 0.00 0.00 43.42 41.78 3de8 n LEU 48 CO 0.27 0.81 1.09 -0.33 -1.33 0.00 0.00 177.39 177.90 3de8 h GLU 49 N 1.20 0.00 0.00 3.23 5.08 -0.77 -2.39 114.58 120.93 3de8 h GLU 49 Ca 0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3de8 h GLU 49 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3de8 h GLU 49 CO 0.19 0.00 -0.61 0.38 -1.00 0.00 0.00 179.01 177.97 3de8 h ASP 50 N 0.00 0.00 -4.28 1.42 -0.00 -1.85 -3.48 116.42 108.24 3de8 h ASP 50 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.03 56.53 3de8 h ASP 50 Cb 0.23 0.00 0.07 0.00 -0.00 0.00 0.00 39.33 39.63 3de8 h ASP 50 CO 0.00 0.31 0.38 -0.54 -0.00 0.00 0.00 179.24 179.39 3de8 s LYS 51 N -3.08 3.29 0.65 4.15 -0.14 -0.90 -5.08 119.74 118.63 3de8 s LYS 51 Ca 0.03 1.00 -0.10 0.00 -1.36 0.00 0.00 55.97 55.54 3de8 s LYS 51 Cb 0.07 -2.04 -0.00 0.00 -1.68 0.00 0.00 37.83 34.19 3de8 s LYS 51 CO 0.74 -0.82 1.02 -1.54 -0.76 0.00 0.00 175.35 174.00 3de8 s SER 52 N -3.46 5.69 0.44 2.83 1.04 -1.26 -5.00 113.70 113.99 3de8 s SER 52 Ca 0.59 1.08 0.22 0.00 0.48 0.00 0.00 55.95 58.33 3de8 s SER 52 Cb -0.14 -2.01 1.02 0.00 0.10 0.00 0.00 66.02 64.99 3de8 s SER 52 CO 0.46 -1.14 1.89 -0.65 0.98 0.00 0.00 173.24 174.78 3de8 h PRO 53 N -0.43 0.00 0.00 4.02 0.11 -1.96 -3.06 132.00 130.69 3de8 h PRO 53 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.63 0.25 0.00 -0.44 -0.21 0.00 0.00 178.00 178.22 3de8 h ASP 54 N 0.00 0.00 -3.23 -2.05 3.45 -1.94 -3.30 116.42 109.35 3de8 h ASP 54 Ca -0.00 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.88 3de8 h ASP 54 Cb 0.63 0.00 0.17 0.00 -0.56 0.00 0.00 39.33 39.57 3de8 h ASP 54 CO 0.03 0.00 -0.19 -1.54 -1.57 0.00 0.00 179.24 175.97 3de8 n SER 55 N -2.74 -0.35 -0.26 6.45 3.41 -1.16 -4.64 113.62 114.33 3de8 n SER 55 Ca 0.05 0.75 0.16 0.00 -0.26 0.00 0.00 58.87 59.56 3de8 n SER 55 Cb 0.48 -1.26 0.44 0.00 -0.26 0.00 0.00 64.21 63.61 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 0.26 0.53 -0.01 4.33 0.11 -1.91 0.42 132.00 135.72 3de8 h PRO 56 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3de8 h PRO 56 Cb 1.38 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3de8 h PRO 56 CO 0.48 0.35 -0.02 0.93 -0.21 0.00 0.00 178.00 179.53 3de8 h GLU 57 N 0.54 0.03 -0.18 1.05 3.07 -1.94 -1.05 114.58 116.10 3de8 h GLU 57 Ca 0.47 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 59.23 3de8 h GLU 57 Cb 0.98 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 3de8 h GLU 57 CO -0.21 0.56 -0.24 0.52 -1.40 0.00 0.00 179.01 178.24 3de8 h MET 58 N -0.50 0.32 -0.12 2.33 2.86 -1.68 1.00 114.93 119.14 3de8 h MET 58 Ca 0.00 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3de8 h MET 58 Cb 0.56 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 3de8 h MET 58 CO 0.00 0.55 0.01 1.25 1.06 0.00 0.00 176.91 179.79 3de8 h HIS 59 N 0.29 0.22 -0.60 -0.22 -0.00 -0.24 -1.48 115.15 113.12 3de8 h HIS 59 Ca 0.05 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 3de8 h HIS 59 Cb 0.59 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.91 3de8 h HIS 59 CO 0.01 0.41 0.22 0.22 -0.00 0.00 0.00 177.93 178.79 3de8 h ASP 60 N -0.04 0.82 0.17 3.26 3.58 -0.62 -2.10 116.42 121.49 3de8 h ASP 60 Ca 0.04 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 3de8 h ASP 60 Cb 0.31 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.15 3de8 h ASP 60 CO 0.00 0.76 -0.08 0.15 -2.88 0.00 0.00 179.24 177.19 3de8 h PHE 61 N 0.87 -0.21 -0.90 0.28 3.57 0.11 -2.16 116.94 118.51 3de8 h PHE 61 Ca 0.20 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3de8 h PHE 61 Cb 0.21 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 3de8 h PHE 61 CO 0.01 -0.04 0.59 -0.09 -2.23 0.00 0.00 178.31 176.55 3de8 h ARG 62 N -0.33 1.16 0.00 1.11 2.43 -1.09 -1.53 114.38 116.12 3de8 h ARG 62 Ca -0.02 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3de8 h ARG 62 Cb 0.26 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3de8 h ARG 62 CO 0.04 0.77 -0.10 0.45 -1.51 0.00 0.00 179.97 179.61 3de8 h HIS 63 N 1.19 0.00 -0.88 2.20 3.86 -1.33 -2.65 115.15 117.55 3de8 h HIS 63 Ca 0.34 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.61 3de8 h HIS 63 Cb -0.10 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.30 3de8 h HIS 63 CO -0.01 0.10 0.55 0.78 0.86 0.00 0.00 177.93 180.21 3de8 h GLY 64 N 1.61 1.32 2.00 2.45 0.00 -0.59 -1.41 103.07 108.45 3de8 h GLY 64 Ca -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 3de8 h GLY 64 CO 0.01 0.28 -0.64 0.74 0.00 0.00 0.00 176.54 176.93 3de8 h PHE 65 N 1.00 0.00 -0.77 5.60 -1.00 -1.51 -1.68 116.94 118.59 3de8 h PHE 65 Ca 0.38 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.11 3de8 h PHE 65 Cb 0.16 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 3de8 h PHE 65 CO -0.03 0.64 0.29 -0.44 -1.61 0.00 0.00 178.31 177.16 3de8 h ASP 66 N 0.00 1.08 -0.15 2.17 3.32 -1.38 0.22 116.42 121.68 3de8 h ASP 66 Ca -0.01 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 3de8 h ASP 66 Cb 1.17 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3de8 h ASP 66 CO 0.08 0.97 0.04 0.40 -1.72 0.00 0.00 179.24 179.02 3de8 h ILE 67 N 1.13 1.19 -0.15 0.35 1.08 -1.10 -1.84 117.51 118.17 3de8 h ILE 67 Ca 0.26 -0.58 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3de8 h ILE 67 Cb 0.25 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 3de8 h ILE 67 CO -0.02 0.18 0.08 0.25 -0.69 0.00 0.00 178.15 177.95 3de8 h LEU 68 N 0.06 0.19 -1.10 1.44 5.85 -1.09 -1.66 115.31 119.01 3de8 h LEU 68 Ca 0.05 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3de8 h LEU 68 Cb 0.23 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3de8 h LEU 68 CO -0.00 0.24 0.52 0.58 -0.34 0.00 0.00 178.44 179.43 3de8 h VAL 69 N 0.14 1.23 -0.48 1.05 2.07 -0.95 0.34 116.25 119.65 3de8 h VAL 69 Ca 0.05 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 3de8 h VAL 69 Cb 0.09 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 3de8 h VAL 69 CO -0.01 0.24 -0.01 1.23 0.02 0.00 0.00 177.57 179.04 3de8 h GLY 70 N 1.17 0.85 1.03 2.17 0.00 -1.01 0.11 103.07 107.39 3de8 h GLY 70 Ca 0.30 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3de8 h GLY 70 CO -0.06 0.53 -0.45 1.46 0.00 0.00 0.00 176.54 178.02 3de8 h GLN 71 N 0.74 0.75 -0.68 4.80 4.20 -0.67 -2.29 115.11 121.95 3de8 h GLN 71 Ca 0.14 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3de8 h GLN 71 Cb 0.46 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 3de8 h GLN 71 CO 0.02 1.09 0.44 0.82 -0.67 0.00 0.00 178.83 180.54 3de8 h ILE 72 N 0.48 1.18 -0.50 2.54 2.04 -0.65 -0.88 117.51 121.72 3de8 h ILE 72 Ca 0.01 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.60 3de8 h ILE 72 Cb 1.05 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 3de8 h ILE 72 CO 0.10 0.18 0.13 -0.74 0.00 0.00 0.00 178.15 177.82 3de8 h HIS 73 N 0.92 0.21 -0.32 1.37 2.76 -0.70 0.20 115.15 119.60 3de8 h HIS 73 Ca 0.25 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.32 3de8 h HIS 73 Cb -0.09 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 3de8 h HIS 73 CO -0.02 0.03 -0.32 -0.44 -1.30 0.00 0.00 177.93 175.87 3de8 h ASP 74 N 0.27 0.73 -0.37 3.26 3.32 -0.97 -1.99 116.42 120.68 3de8 h ASP 74 Ca 0.25 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3de8 h ASP 74 Cb 0.31 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3de8 h ASP 74 CO -0.30 0.99 0.17 0.00 -1.72 0.00 0.00 179.24 178.38 3de8 h ALA 75 N 1.05 0.47 -0.80 3.45 0.00 -0.61 -2.51 119.26 120.32 3de8 h ALA 75 Ca 0.07 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3de8 h ALA 75 Cb 0.84 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3de8 h ALA 75 CO 0.07 0.05 0.45 1.25 0.00 0.00 0.00 179.25 181.07 3de8 h LEU 76 N 0.45 0.66 -0.90 0.00 5.85 -0.44 -0.86 115.31 120.07 3de8 h LEU 76 Ca 0.13 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3de8 h LEU 76 Cb 0.14 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3de8 h LEU 76 CO -0.01 0.39 0.38 0.45 -0.34 0.00 0.00 178.44 179.30 3de8 h HIS 77 N 0.78 1.18 -0.57 1.25 3.86 -1.05 0.33 115.15 120.93 3de8 h HIS 77 Ca 0.38 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.46 3de8 h HIS 77 Cb 0.31 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 3de8 h HIS 77 CO -0.06 0.86 0.12 -0.07 0.86 0.00 0.00 177.93 179.63 3de8 h LEU 78 N 1.16 0.88 -0.57 2.43 3.38 -0.99 -2.36 115.31 119.24 3de8 h LEU 78 Ca 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3de8 h LEU 78 Cb 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3de8 h LEU 78 CO -0.03 0.90 0.27 0.00 0.09 0.00 0.00 178.44 179.67 3de8 h ALA 79 N 1.01 0.74 -0.84 1.53 0.00 -0.73 -1.40 119.26 119.56 3de8 h ALA 79 Ca 0.18 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.16 3de8 h ALA 79 Cb 0.38 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3de8 h ALA 79 CO 0.01 0.30 0.57 -0.91 0.00 0.00 0.00 179.25 179.22 3de8 h ASN 80 N 0.78 0.26 -0.05 0.00 -0.26 -0.15 -0.13 115.58 116.02 3de8 h ASN 80 Ca 0.20 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 3de8 h ASN 80 Cb 0.12 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 3de8 h ASN 80 CO -0.02 0.11 0.00 -0.62 -1.06 0.00 0.00 177.43 175.83 3de8 n GLU 81 N -4.43 1.45 -1.04 0.81 1.02 -0.87 -4.90 120.64 112.67 3de8 n GLU 81 Ca 0.17 -0.66 -0.02 0.00 -0.02 0.00 0.00 57.16 56.64 3de8 n GLU 81 Cb 0.73 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.71 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 1.07 0.51 3.46 0.62 0.00 -0.06 -4.97 105.19 105.82 3de8 n GLY 82 Ca 0.19 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.81 3.97 0.08 1.61 1.02 -0.58 -4.75 119.74 119.28 3de8 s LYS 83 Ca 0.00 -2.40 -0.20 0.00 0.02 0.00 0.00 55.97 53.38 3de8 s LYS 83 Cb 0.00 -5.01 -0.10 0.00 -0.52 0.00 0.00 37.83 32.20 3de8 s LYS 83 CO 0.00 -1.75 1.58 -0.24 -0.92 0.00 0.00 175.35 174.02 3de8 h VAL 84 N 4.92 1.19 -0.27 3.17 3.04 -1.91 -0.88 116.25 125.51 3de8 h VAL 84 Ca 0.27 -0.61 -0.01 0.00 -1.01 0.00 0.00 66.70 65.34 3de8 h VAL 84 Cb 0.91 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 3de8 h VAL 84 CO 1.20 0.19 0.12 0.11 -1.01 0.00 0.00 177.57 178.18 3de8 h LYS 85 N 0.10 0.39 -0.92 4.17 1.79 -1.97 -0.96 116.57 119.17 3de8 h LYS 85 Ca 0.06 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3de8 h LYS 85 Cb 0.24 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 3de8 h LYS 85 CO -0.00 0.40 0.52 0.93 -1.08 0.00 0.00 179.45 180.22 3de8 h GLU 86 N 0.29 1.27 -0.53 3.15 4.39 -1.93 -0.79 114.58 120.43 3de8 h GLU 86 Ca 0.09 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 3de8 h GLU 86 Cb 0.14 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3de8 h GLU 86 CO -0.01 0.92 -0.11 0.00 -1.16 0.00 0.00 179.01 178.65 3de8 h ALA 87 N 1.28 0.81 -0.42 3.43 0.00 -0.99 -0.66 119.26 122.71 3de8 h ALA 87 Ca 0.33 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3de8 h ALA 87 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3de8 h ALA 87 CO -0.05 0.66 -0.26 1.96 0.00 0.00 0.00 179.25 181.56 3de8 h GLN 88 N 0.88 0.89 -0.19 0.00 4.20 -0.93 -0.72 115.11 119.24 3de8 h GLN 88 Ca 0.14 -0.39 0.01 0.00 0.06 0.00 0.00 58.65 58.47 3de8 h GLN 88 Cb 0.67 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3de8 h GLN 88 CO 0.05 1.04 0.09 0.00 -0.67 0.00 0.00 178.83 179.34 3de8 h ALA 89 N 0.93 0.23 -0.78 3.87 0.00 -1.03 -1.52 119.26 120.96 3de8 h ALA 89 Ca 0.09 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3de8 h ALA 89 Cb 0.82 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3de8 h ALA 89 CO 0.07 -0.33 0.50 0.00 0.00 0.00 0.00 179.25 179.49 3de8 h ALA 90 N 1.10 1.03 -0.60 0.00 0.00 -0.83 -2.26 119.26 117.70 3de8 h ALA 90 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3de8 h ALA 90 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3de8 h ALA 90 CO -0.06 0.31 0.33 0.00 0.00 0.00 0.00 179.25 179.83 3de8 h ALA 91 N 1.33 0.76 0.00 0.00 0.00 -0.85 -2.57 119.26 117.93 3de8 h ALA 91 Ca 0.31 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3de8 h ALA 91 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3de8 h ALA 91 CO -0.11 0.27 -0.22 1.05 0.00 0.00 0.00 179.25 180.24 3de8 h GLU 92 N 0.81 0.00 0.00 0.00 4.11 -1.02 -2.41 114.58 116.07 3de8 h GLU 92 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3de8 h GLU 92 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3de8 h GLU 92 CO -0.04 0.22 0.00 1.96 0.07 0.00 0.00 179.01 181.22 3de8 h GLN 93 N 0.00 0.00 -0.85 1.06 4.20 -1.03 -2.93 115.11 115.57 3de8 h GLN 93 Ca -0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 3de8 h GLN 93 Cb 0.86 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.58 3de8 h GLN 93 CO 0.03 0.00 0.57 -0.07 -0.67 0.00 0.00 178.83 178.69 3de8 h LEU 94 N 0.00 0.34 -2.11 1.46 3.38 -1.12 -2.70 115.31 114.56 3de8 h LEU 94 Ca 0.00 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3de8 h LEU 94 Cb 0.66 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3de8 h LEU 94 CO 0.00 0.15 0.14 0.11 0.09 0.00 0.00 178.44 178.93 3de8 h LYS 95 N 0.35 0.00 -0.86 1.13 1.57 -1.68 0.24 116.57 117.32 3de8 h LYS 95 Ca 0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.18 3de8 h LYS 95 Cb 1.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 3de8 h LYS 95 CO -0.14 0.00 0.43 1.15 -0.57 0.00 0.00 179.45 180.32 3de8 h THR 96 N 0.00 1.26 -0.15 -0.16 2.02 -1.72 0.47 112.91 114.63 3de8 h THR 96 Ca 0.08 -0.70 -0.17 0.00 0.77 0.00 0.00 66.41 66.39 3de8 h THR 96 Cb 0.37 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3de8 h THR 96 CO -0.00 0.31 -0.58 0.74 0.37 0.00 0.00 175.52 176.36 3de8 h THR 97 N 1.22 1.32 -0.04 3.16 2.02 -1.16 0.13 112.91 119.55 3de8 h THR 97 Ca 0.30 -1.83 0.04 0.00 0.77 0.00 0.00 66.41 65.68 3de8 h THR 97 Cb 0.09 2.03 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 3de8 h THR 97 CO -0.04 0.57 -0.33 0.00 0.37 0.00 0.00 175.52 176.09 3de8 h ASN 99 N -0.46 0.81 -0.93 0.00 -0.26 -0.04 -2.15 115.58 112.56 3de8 h ASN 99 Ca 0.07 -0.26 0.01 0.00 -0.56 0.00 0.00 56.30 55.56 3de8 h ASN 99 Cb 0.56 -0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 37.56 3de8 h ASN 99 CO -0.30 0.96 0.60 0.00 -1.06 0.00 0.00 177.43 177.64 3de8 h ALA 100 N 1.11 1.18 -0.03 -0.83 0.00 -0.68 0.11 119.26 120.13 3de8 h ALA 100 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3de8 h ALA 100 Cb 0.64 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3de8 h ALA 100 CO 0.04 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.86 3de8 h HIS 102 N -0.41 -0.02 -0.61 0.00 -0.00 -1.21 0.29 115.15 113.19 3de8 h HIS 102 Ca 0.00 0.04 0.17 0.00 -0.00 0.00 0.00 60.37 60.58 3de8 h HIS 102 Cb 0.53 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 28.01 3de8 h HIS 102 CO 0.10 -0.12 0.43 1.96 -0.00 0.00 0.00 177.93 180.30 3de8 h GLN 103 N 0.12 0.05 0.00 2.45 4.20 -0.78 -1.98 115.11 119.17 3de8 h GLN 103 Ca 0.27 -0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.61 3de8 h GLN 103 Cb 0.41 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 3de8 h GLN 103 CO -0.44 0.03 -2.37 1.63 -0.67 0.00 0.00 178.83 177.02 3de8 n LYS 104 N -4.38 0.75 0.00 1.46 5.02 -0.52 -4.81 118.16 115.68 3de8 n LYS 104 Ca 0.11 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3de8 n LYS 104 Cb 0.65 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.91 0.00 1.08 2.13 4.02 0.90 -5.10 117.16 117.27 3de8 n TYR 105 Ca -0.36 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.65 3de8 n TYR 105 Cb 1.07 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 40.56 3de8 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72