#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bc5 s ASP 2 N 0.00 4.97 0.15 0.00 1.11 -1.26 -4.86 116.67 116.79 2bc5 s ASP 2 Ca 0.00 0.83 -0.21 0.00 0.18 0.00 0.00 52.55 53.35 2bc5 s ASP 2 Cb 0.00 -1.50 0.04 0.00 1.07 0.00 0.00 42.92 42.53 2bc5 s ASP 2 CO 0.00 -1.58 1.64 0.25 1.18 0.00 0.00 175.17 176.66 2bc5 h LEU 3 N -0.76 -0.67 -0.62 1.23 5.85 -1.94 -1.81 115.31 116.59 2bc5 h LEU 3 Ca -0.45 0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.51 2bc5 h LEU 3 Cb 1.30 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.57 2bc5 h LEU 3 CO 0.64 -0.24 0.17 -0.33 -0.34 0.00 0.00 178.44 178.34 2bc5 h GLU 4 N -0.19 0.30 0.27 1.25 5.08 -1.99 0.71 114.58 120.02 2bc5 h GLU 4 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2bc5 h GLU 4 Cb 0.42 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2bc5 h GLU 4 CO -0.39 0.20 -0.32 -0.44 -1.00 0.00 0.00 179.01 177.07 2bc5 h ASP 5 N 0.31 -0.87 -0.73 1.42 3.32 -1.73 -1.03 116.42 117.12 2bc5 h ASP 5 Ca 0.33 0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.57 2bc5 h ASP 5 Cb 0.47 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 40.24 2bc5 h ASP 5 CO -0.38 -0.44 0.35 0.78 -1.72 0.00 0.00 179.24 177.83 2bc5 h ASN 6 N -0.64 0.43 -0.63 6.45 2.35 -0.60 -1.48 115.58 121.47 2bc5 h ASN 6 Ca -0.01 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2bc5 h ASN 6 Cb 0.60 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 2bc5 h ASN 6 CO -0.09 0.23 0.37 0.24 -1.65 0.00 0.00 177.43 176.53 2bc5 h MET 7 N 0.57 0.85 -0.71 0.81 2.86 -0.40 -0.36 114.93 118.55 2bc5 h MET 7 Ca 0.37 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2bc5 h MET 7 Cb 0.45 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2bc5 h MET 7 CO -0.30 0.62 0.29 0.93 1.06 0.00 0.00 176.91 179.51 2bc5 h GLU 8 N 0.85 1.03 -0.64 1.72 4.39 -0.49 -0.08 114.58 121.37 2bc5 h GLU 8 Ca 0.22 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2bc5 h GLU 8 Cb -0.01 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 2bc5 h GLU 8 CO -0.04 0.83 0.28 1.15 -1.16 0.00 0.00 179.01 180.07 2bc5 h THR 9 N 1.02 1.23 -0.19 1.13 2.02 -0.50 0.20 112.91 117.82 2bc5 h THR 9 Ca 0.24 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2bc5 h THR 9 Cb 0.18 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2bc5 h THR 9 CO -0.02 0.28 0.05 -0.07 0.37 0.00 0.00 175.52 176.13 2bc5 h LEU 10 N 0.89 0.28 -0.06 2.58 3.38 -0.56 -1.55 115.31 120.26 2bc5 h LEU 10 Ca 0.22 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2bc5 h LEU 10 Cb 0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2bc5 h LEU 10 CO -0.02 0.42 0.01 -1.13 0.09 0.00 0.00 178.44 177.81 2bc5 h ASN 11 N 0.12 0.01 -0.71 -0.43 -1.24 -0.70 -1.56 115.58 111.07 2bc5 h ASN 11 Ca 0.06 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 2bc5 h ASN 11 Cb 0.24 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 2bc5 h ASN 11 CO -0.00 0.02 0.19 0.44 -1.29 0.00 0.00 177.43 176.79 2bc5 h ASP 12 N 0.04 1.07 0.57 1.15 3.32 -0.57 -2.80 116.42 119.19 2bc5 h ASP 12 Ca 0.02 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 2bc5 h ASP 12 Cb 0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2bc5 h ASP 12 CO -0.03 1.01 -0.50 0.78 -1.72 0.00 0.00 179.24 178.78 2bc5 h ASN 13 N 1.08 0.00 -0.55 6.45 2.35 -1.14 -2.12 115.58 121.66 2bc5 h ASN 13 Ca 0.23 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 2bc5 h ASN 13 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 2bc5 h ASN 13 CO -0.00 0.50 0.18 0.25 -1.65 0.00 0.00 177.43 176.71 2bc5 h LEU 14 N 0.00 0.79 -1.09 1.61 5.85 -1.05 -0.89 115.31 120.53 2bc5 h LEU 14 Ca -0.01 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 2bc5 h LEU 14 Cb 0.92 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2bc5 h LEU 14 CO 0.07 0.78 -0.45 0.07 -0.34 0.00 0.00 178.44 178.57 2bc5 h LYS 15 N 0.76 0.00 -0.43 1.25 2.10 -1.28 -2.32 116.57 116.66 2bc5 h LYS 15 Ca 0.18 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.78 2bc5 h LYS 15 Cb 0.27 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 2bc5 h LYS 15 CO -0.01 0.45 0.07 0.28 -2.00 0.00 0.00 179.45 178.23 2bc5 h VAL 16 N 0.00 1.24 -0.74 0.07 2.07 -0.71 -2.31 116.25 115.88 2bc5 h VAL 16 Ca -0.00 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.65 2bc5 h VAL 16 Cb 0.81 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2bc5 h VAL 16 CO 0.06 0.31 0.47 0.40 0.02 0.00 0.00 177.57 178.83 2bc5 h ILE 17 N 0.56 1.13 -0.25 4.57 2.04 -0.90 0.49 117.51 125.15 2bc5 h ILE 17 Ca 0.13 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2bc5 h ILE 17 Cb 0.38 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2bc5 h ILE 17 CO 0.01 0.17 0.04 -0.08 0.00 0.00 0.00 178.15 178.29 2bc5 h GLU 18 N 0.94 0.36 0.00 2.37 4.57 -1.22 -2.35 114.58 119.25 2bc5 h GLU 18 Ca 0.29 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2bc5 h GLU 18 Cb -0.02 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2bc5 h GLU 18 CO -0.10 0.36 -1.05 1.63 -1.18 0.00 0.00 179.01 178.67 2bc5 n LYS 19 N -4.37 0.45 -1.15 1.92 5.02 -0.67 -5.00 118.16 114.36 2bc5 n LYS 19 Ca 0.01 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 2bc5 n LYS 19 Cb 0.17 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 2bc5 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bc5 n ALA 20 N -2.01 -2.56 0.17 7.82 0.00 0.16 -4.92 120.51 119.18 2bc5 n ALA 20 Ca 0.01 0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.86 2bc5 n ALA 20 Cb 0.50 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 2bc5 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bc5 n ASP 21 N 1.61 1.85 -3.76 0.00 8.00 -1.26 -5.05 116.55 117.94 2bc5 n ASP 21 Ca 0.15 -0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.24 2bc5 n ASP 21 Cb 0.20 1.30 -0.07 0.00 -0.02 0.00 0.00 41.12 42.52 2bc5 n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bc5 s ASN 22 N -2.72 0.58 0.15 -2.24 2.20 -1.26 -5.06 114.94 106.59 2bc5 s ASN 22 Ca -0.01 -1.39 -0.15 0.00 -0.94 0.00 0.00 52.86 50.37 2bc5 s ASN 22 Cb 0.07 0.52 0.02 0.00 -2.00 0.00 0.00 41.25 39.86 2bc5 s ASN 22 CO 0.42 -1.06 1.73 0.00 -2.94 0.00 0.00 177.10 175.25 2bc5 h ALA 23 N 2.33 0.58 -0.63 3.54 0.00 -1.95 -2.90 119.26 120.23 2bc5 h ALA 23 Ca -0.30 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.63 2bc5 h ALA 23 Cb 1.24 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 2bc5 h ALA 23 CO 0.43 0.14 0.05 0.00 0.00 0.00 0.00 179.25 179.87 2bc5 h ALA 24 N 1.06 0.67 -0.52 0.00 0.00 -1.97 0.13 119.26 118.64 2bc5 h ALA 24 Ca 0.16 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2bc5 h ALA 24 Cb 0.11 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2bc5 h ALA 24 CO -0.02 -0.37 0.33 1.96 0.00 0.00 0.00 179.25 181.14 2bc5 h GLN 25 N 0.16 0.69 -0.25 0.00 4.20 -1.95 -1.51 115.11 116.45 2bc5 h GLN 25 Ca 0.33 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 2bc5 h GLN 25 Cb 0.54 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2bc5 h GLN 25 CO -0.50 0.48 0.07 0.28 -0.67 0.00 0.00 178.83 178.49 2bc5 h VAL 26 N 0.70 1.21 -0.63 -0.54 2.07 -0.99 -2.03 116.25 116.04 2bc5 h VAL 26 Ca 0.19 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2bc5 h VAL 26 Cb -0.04 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2bc5 h VAL 26 CO -0.04 0.22 0.38 0.50 0.02 0.00 0.00 177.57 178.65 2bc5 h LYS 27 N 0.24 0.85 -0.49 1.57 3.64 -0.64 -0.24 116.57 121.51 2bc5 h LYS 27 Ca 0.08 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2bc5 h LYS 27 Cb 0.26 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2bc5 h LYS 27 CO -0.00 0.61 0.09 -0.44 -2.27 0.00 0.00 179.45 177.44 2bc5 h ASP 28 N 0.85 0.77 -0.44 4.20 3.32 -1.21 -0.19 116.42 123.71 2bc5 h ASP 28 Ca 0.22 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2bc5 h ASP 28 Cb -0.02 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2bc5 h ASP 28 CO -0.04 0.82 0.21 0.00 -1.72 0.00 0.00 179.24 178.51 2bc5 h ALA 29 N 0.97 0.56 -0.49 3.45 0.00 -1.10 -1.36 119.26 121.30 2bc5 h ALA 29 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2bc5 h ALA 29 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2bc5 h ALA 29 CO 0.01 0.13 0.20 -0.07 0.00 0.00 0.00 179.25 179.52 2bc5 h LEU 30 N 0.56 0.67 -0.53 0.00 3.38 -0.87 -1.56 115.31 116.96 2bc5 h LEU 30 Ca 0.15 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2bc5 h LEU 30 Cb 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2bc5 h LEU 30 CO -0.02 0.65 0.23 0.74 0.09 0.00 0.00 178.44 180.13 2bc5 h THR 31 N 0.65 0.88 -0.25 0.22 2.02 -0.74 0.57 112.91 116.25 2bc5 h THR 31 Ca 0.16 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 2bc5 h THR 31 Cb 0.18 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2bc5 h THR 31 CO -0.01 0.08 -0.09 0.11 0.37 0.00 0.00 175.52 175.98 2bc5 h LYS 32 N 0.44 0.41 -0.41 6.66 1.57 -0.92 -2.56 116.57 121.76 2bc5 h LYS 32 Ca 0.25 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 2bc5 h LYS 32 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2bc5 h LYS 32 CO -0.22 0.50 -0.33 0.52 -0.57 0.00 0.00 179.45 179.36 2bc5 h MET 33 N 0.38 0.92 -0.14 3.15 2.86 -0.19 -1.99 114.93 119.93 2bc5 h MET 33 Ca 0.08 -0.45 0.03 0.00 -2.06 0.00 0.00 59.70 57.30 2bc5 h MET 33 Cb 0.39 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2bc5 h MET 33 CO 0.02 1.10 -0.03 -0.09 1.06 0.00 0.00 176.91 178.98 2bc5 h ARG 34 N 0.77 0.01 -0.45 1.72 2.43 -0.55 0.29 114.38 118.60 2bc5 h ARG 34 Ca 0.08 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2bc5 h ARG 34 Cb 0.91 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2bc5 h ARG 34 CO 0.08 0.01 0.06 0.00 -1.51 0.00 0.00 179.97 178.61 2bc5 h ALA 35 N 1.13 0.60 -0.60 2.80 0.00 -1.48 -1.01 119.26 120.70 2bc5 h ALA 35 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2bc5 h ALA 35 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2bc5 h ALA 35 CO -0.13 0.34 0.26 0.00 0.00 0.00 0.00 179.25 179.71 2bc5 h ALA 36 N 0.94 0.78 -0.30 0.00 0.00 -1.08 -0.54 119.26 119.06 2bc5 h ALA 36 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2bc5 h ALA 36 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2bc5 h ALA 36 CO 0.01 0.38 0.14 0.00 0.00 0.00 0.00 179.25 179.78 2bc5 h ALA 37 N 1.10 0.38 -0.42 0.00 0.00 -0.26 -0.65 119.26 119.42 2bc5 h ALA 37 Ca 0.20 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2bc5 h ALA 37 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2bc5 h ALA 37 CO -0.02 -0.04 0.01 -0.07 0.00 0.00 0.00 179.25 179.12 2bc5 h LEU 38 N 0.34 0.64 -0.24 0.00 3.38 -1.01 -1.73 115.31 116.70 2bc5 h LEU 38 Ca 0.10 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2bc5 h LEU 38 Cb 0.14 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2bc5 h LEU 38 CO -0.01 0.71 -0.46 -0.78 0.09 0.00 0.00 178.44 177.98 2bc5 h ASP 39 N 0.64 0.82 0.11 -0.43 3.58 -0.83 -3.04 116.42 117.27 2bc5 h ASP 39 Ca 0.13 -0.54 -0.04 0.00 0.42 0.00 0.00 57.03 57.00 2bc5 h ASP 39 Cb 0.39 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2bc5 h ASP 39 CO 0.01 1.21 -0.16 0.00 -2.88 0.00 0.00 179.24 177.42 2bc5 h ALA 40 N 0.63 1.61 0.00 -0.78 0.00 -0.93 -2.20 119.26 117.60 2bc5 h ALA 40 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bc5 h ALA 40 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2bc5 h ALA 40 CO 0.10 0.28 0.00 0.37 0.00 0.00 0.00 179.25 180.01 2bc5 h GLN 41 N 0.10 0.00 -0.00 0.00 4.15 -1.19 -0.59 115.11 117.58 2bc5 h GLN 41 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2bc5 h GLN 41 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2bc5 h GLN 41 CO 0.02 0.00 -0.56 1.63 -1.93 0.00 0.00 178.83 177.99 2bc5 n LYS 42 N -2.98 0.11 -1.78 1.69 5.02 -0.83 -4.79 118.16 114.60 2bc5 n LYS 42 Ca -0.03 -0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 2bc5 n LYS 42 Cb 0.08 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.65 2bc5 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bc5 s ALA 43 N -2.94 2.71 -0.29 7.82 0.00 -0.23 -5.05 121.76 123.78 2bc5 s ALA 43 Ca 0.12 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.81 2bc5 s ALA 43 Cb 0.17 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.31 2bc5 s ALA 43 CO 0.71 -1.30 -0.05 0.99 0.00 0.00 0.00 175.76 176.11 2bc5 s THR 44 N -3.29 2.35 0.71 0.00 2.01 -1.26 -5.04 115.64 111.11 2bc5 s THR 44 Ca 0.59 -1.79 -0.15 0.00 0.31 0.00 0.00 61.69 60.64 2bc5 s THR 44 Cb -0.12 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 69.95 2bc5 s THR 44 CO 0.53 -0.20 1.20 -2.16 -0.69 0.00 0.00 174.62 173.29 2bc5 s PRO 45 N 1.07 2.27 0.21 4.92 0.04 -1.26 -4.77 135.00 137.48 2bc5 s PRO 45 Ca -0.03 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2bc5 s PRO 45 Cb -0.20 -1.85 0.27 0.00 0.04 0.00 0.00 34.50 32.76 2bc5 s PRO 45 CO -0.05 -1.73 1.65 -1.35 0.04 0.00 0.00 177.00 175.55 2bc5 h PRO 46 N -0.16 0.06 0.00 0.56 0.11 -1.99 -0.63 132.00 129.94 2bc5 h PRO 46 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bc5 h PRO 46 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2bc5 h PRO 46 CO 0.51 0.04 0.00 1.63 -0.21 0.00 0.00 178.00 179.96 2bc5 n LYS 47 N -5.35 0.34 0.00 1.05 5.02 -1.26 -1.96 118.16 116.00 2bc5 n LYS 47 Ca 0.08 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2bc5 n LYS 47 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2bc5 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2bc5 n LEU 48 N -1.10 1.25 -0.11 -0.35 4.77 -0.30 -4.77 117.00 116.38 2bc5 n LEU 48 Ca 0.09 -1.25 0.26 0.00 -0.03 0.00 0.00 56.01 55.07 2bc5 n LEU 48 Cb 0.07 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 41.87 2bc5 n LEU 48 CO 0.08 0.31 1.23 1.05 -1.33 0.00 0.00 177.39 178.74 2bc5 h GLU 49 N 0.00 0.00 -0.06 3.23 4.11 -0.75 0.98 114.58 122.09 2bc5 h GLU 49 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2bc5 h GLU 49 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2bc5 h GLU 49 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.83 2bc5 n ASP 50 N -4.28 1.79 -4.92 3.06 10.43 -1.26 -4.93 116.55 116.44 2bc5 n ASP 50 Ca 0.15 -1.62 -0.27 0.00 2.57 0.00 0.00 54.79 55.62 2bc5 n ASP 50 Cb 0.84 -0.03 -0.02 0.00 1.84 0.00 0.00 41.12 43.75 2bc5 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2bc5 s LYS 51 N -1.94 3.57 0.46 -1.24 -0.14 0.34 -5.08 119.74 115.71 2bc5 s LYS 51 Ca 0.36 -0.14 -0.21 0.00 -1.36 0.00 0.00 55.97 54.62 2bc5 s LYS 51 Cb 0.20 -2.67 -0.09 0.00 -1.68 0.00 0.00 37.83 33.59 2bc5 s LYS 51 CO 0.32 0.21 1.02 0.45 -0.76 0.00 0.00 175.35 176.59 2bc5 s SER 52 N -3.46 6.53 0.53 2.83 0.15 -1.26 -4.94 113.70 114.08 2bc5 s SER 52 Ca 0.42 1.91 0.23 0.00 0.70 0.00 0.00 55.95 59.21 2bc5 s SER 52 Cb -0.10 -2.56 1.36 0.00 -1.71 0.00 0.00 66.02 63.00 2bc5 s SER 52 CO 0.32 -0.65 2.03 -0.65 1.20 0.00 0.00 173.24 175.50 2bc5 h PRO 53 N 1.82 0.01 -0.68 5.44 0.11 -1.98 -1.36 132.00 135.37 2bc5 h PRO 53 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2bc5 h PRO 53 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2bc5 h PRO 53 CO 0.60 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 2bc5 n ASP 54 N -4.42 4.68 -4.75 -2.05 3.85 -1.26 -4.62 116.55 107.98 2bc5 n ASP 54 Ca 0.07 -2.38 -0.33 0.00 -0.71 0.00 0.00 54.79 51.44 2bc5 n ASP 54 Cb 0.48 -0.57 0.07 0.00 -1.35 0.00 0.00 41.12 39.75 2bc5 n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2bc5 s SER 55 N -0.91 4.67 0.32 -1.12 1.04 -0.51 -4.83 113.70 112.37 2bc5 s SER 55 Ca 0.51 2.13 0.03 0.00 0.48 0.00 0.00 55.95 59.10 2bc5 s SER 55 Cb 0.32 -2.56 0.63 0.00 0.10 0.00 0.00 66.02 64.50 2bc5 s SER 55 CO 0.26 -1.93 1.91 -0.65 0.98 0.00 0.00 173.24 173.82 2bc5 h PRO 56 N -0.20 0.88 -0.12 4.02 0.11 -1.94 -2.04 132.00 132.72 2bc5 h PRO 56 Ca -0.47 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.59 2bc5 h PRO 56 Cb 1.26 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2bc5 h PRO 56 CO 0.52 0.58 0.06 0.93 -0.21 0.00 0.00 178.00 179.88 2bc5 h GLU 57 N 0.91 0.13 -0.51 1.05 3.07 -1.93 -0.40 114.58 116.90 2bc5 h GLU 57 Ca 0.39 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.23 2bc5 h GLU 57 Cb 0.32 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 2bc5 h GLU 57 CO -0.15 0.09 0.26 0.52 -1.40 0.00 0.00 179.01 178.32 2bc5 h MET 58 N 0.13 0.73 -0.59 2.33 2.86 -1.68 0.29 114.93 119.00 2bc5 h MET 58 Ca 0.05 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2bc5 h MET 58 Cb 0.00 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 2bc5 h MET 58 CO -0.03 0.60 0.29 -1.49 1.06 0.00 0.00 176.91 177.34 2bc5 h TRP 59 N 0.68 0.82 -0.56 -0.22 4.06 -1.20 0.30 115.95 119.82 2bc5 h TRP 59 Ca 0.18 -0.02 -0.07 0.00 2.06 0.00 0.00 58.89 61.04 2bc5 h TRP 59 Cb 0.10 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 27.98 2bc5 h TRP 59 CO -0.01 0.60 0.09 0.22 -3.56 0.00 0.00 178.44 175.78 2bc5 h ASP 60 N 0.83 0.89 -0.19 -3.49 3.58 -0.43 0.18 116.42 117.81 2bc5 h ASP 60 Ca 0.21 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2bc5 h ASP 60 Cb 0.08 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2bc5 h ASP 60 CO -0.03 0.93 0.11 0.15 -2.88 0.00 0.00 179.24 177.52 2bc5 h PHE 61 N 0.83 0.25 -0.23 0.28 3.57 0.73 -2.03 116.94 120.34 2bc5 h PHE 61 Ca 0.17 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 2bc5 h PHE 61 Cb 0.41 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2bc5 h PHE 61 CO 0.03 0.20 -0.12 0.00 -2.23 0.00 0.00 178.31 176.19 2bc5 h ARG 62 N 0.22 0.37 -0.65 1.11 3.08 -0.16 -2.77 114.38 115.58 2bc5 h ARG 62 Ca 0.07 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2bc5 h ARG 62 Cb 0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 2bc5 h ARG 62 CO -0.01 0.50 0.41 1.25 -1.07 0.00 0.00 179.97 181.04 2bc5 h HIS 63 N 0.35 0.83 -0.88 3.04 2.76 0.03 -1.89 115.15 119.39 2bc5 h HIS 63 Ca 0.07 0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.45 2bc5 h HIS 63 Cb 0.43 -0.28 -0.12 0.00 1.55 0.00 0.00 27.41 28.99 2bc5 h HIS 63 CO 0.01 0.55 0.40 0.78 -1.30 0.00 0.00 177.93 178.36 2bc5 h GLY 64 N 0.88 1.47 2.00 5.26 0.00 -1.09 0.12 103.07 111.71 2bc5 h GLY 64 Ca 0.23 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 2bc5 h GLY 64 CO -0.05 -0.20 -0.56 0.74 0.00 0.00 0.00 176.54 176.47 2bc5 h PHE 65 N 0.45 0.00 -0.40 5.60 -1.00 -1.41 -2.19 116.94 117.98 2bc5 h PHE 65 Ca 0.53 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.30 2bc5 h PHE 65 Cb 0.94 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.48 2bc5 h PHE 65 CO -0.13 0.56 0.22 -0.44 -1.61 0.00 0.00 178.31 176.91 2bc5 h ASP 66 N 0.00 0.50 0.10 2.17 3.32 -0.32 0.47 116.42 122.66 2bc5 h ASP 66 Ca -0.01 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2bc5 h ASP 66 Cb 1.01 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 2bc5 h ASP 66 CO 0.07 0.45 -0.07 0.40 -1.72 0.00 0.00 179.24 178.37 2bc5 h ILE 67 N 0.52 0.85 -0.37 0.35 1.08 -1.15 -1.47 117.51 117.32 2bc5 h ILE 67 Ca 0.14 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.67 2bc5 h ILE 67 Cb 0.05 0.85 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 2bc5 h ILE 67 CO -0.02 0.00 0.03 0.25 -0.69 0.00 0.00 178.15 177.72 2bc5 h LEU 68 N -0.16 -0.08 -0.65 1.44 5.85 -1.15 -0.07 115.31 120.50 2bc5 h LEU 68 Ca -0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2bc5 h LEU 68 Cb 0.14 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2bc5 h LEU 68 CO 0.00 -0.00 0.43 0.58 -0.34 0.00 0.00 178.44 179.10 2bc5 h VAL 69 N 0.14 1.17 0.01 1.05 2.07 -0.79 0.98 116.25 120.89 2bc5 h VAL 69 Ca 0.18 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2bc5 h VAL 69 Cb 0.23 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2bc5 h VAL 69 CO -0.27 0.16 -0.03 1.23 0.02 0.00 0.00 177.57 178.68 2bc5 h GLY 70 N 0.88 -0.05 0.81 2.17 0.00 -0.58 0.95 103.07 107.24 2bc5 h GLY 70 Ca 0.24 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.65 2bc5 h GLY 70 CO -0.05 -0.04 0.55 1.46 0.00 0.00 0.00 176.54 178.46 2bc5 h GLN 71 N -0.07 1.01 -0.45 4.80 4.20 -0.59 -0.14 115.11 123.88 2bc5 h GLN 71 Ca 0.01 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 2bc5 h GLN 71 Cb 0.08 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2bc5 h GLN 71 CO -0.03 0.67 -0.16 0.82 -0.67 0.00 0.00 178.83 179.46 2bc5 h ILE 72 N 1.04 1.27 -0.29 2.54 2.04 -0.49 -1.73 117.51 121.88 2bc5 h ILE 72 Ca 0.36 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.84 2bc5 h ILE 72 Cb 0.08 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2bc5 h ILE 72 CO -0.14 0.43 -0.27 0.44 0.00 0.00 0.00 178.15 178.61 2bc5 h ASP 73 N 0.76 0.60 -0.71 1.72 3.32 -0.04 0.67 116.42 122.73 2bc5 h ASP 73 Ca 0.11 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 2bc5 h ASP 73 Cb 0.68 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 2bc5 h ASP 73 CO 0.05 0.85 0.17 -0.78 -1.72 0.00 0.00 179.24 177.81 2bc5 h ASP 74 N 0.51 1.08 -0.66 6.45 1.82 -0.83 -1.12 116.42 123.67 2bc5 h ASP 74 Ca 0.07 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 56.41 2bc5 h ASP 74 Cb 0.73 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.43 2bc5 h ASP 74 CO 0.06 1.03 0.16 0.00 -1.61 0.00 0.00 179.24 178.88 2bc5 h ALA 75 N 1.10 0.87 -0.90 -0.78 0.00 -0.75 -2.15 119.26 116.65 2bc5 h ALA 75 Ca 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2bc5 h ALA 75 Cb 0.37 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2bc5 h ALA 75 CO 0.00 0.60 0.50 -0.07 0.00 0.00 0.00 179.25 180.28 2bc5 h LEU 76 N 0.99 1.12 -0.01 0.00 -0.00 -0.26 -0.09 115.31 117.06 2bc5 h LEU 76 Ca 0.21 -0.10 0.01 0.00 -0.00 0.00 0.00 57.88 58.00 2bc5 h LEU 76 Cb 0.37 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2bc5 h LEU 76 CO 0.00 0.90 -0.05 0.50 -0.00 0.00 0.00 178.44 179.79 2bc5 h LYS 77 N 1.26 -0.08 -0.36 1.13 3.64 -0.80 0.15 116.57 121.50 2bc5 h LYS 77 Ca 0.32 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2bc5 h LYS 77 Cb 0.02 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2bc5 h LYS 77 CO -0.05 -0.05 0.19 -0.07 -2.27 0.00 0.00 179.45 177.20 2bc5 h LEU 78 N -0.08 0.29 -0.56 5.20 3.38 -1.12 -1.66 115.31 120.75 2bc5 h LEU 78 Ca 0.02 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2bc5 h LEU 78 Cb 0.11 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2bc5 h LEU 78 CO -0.06 0.21 0.32 0.00 0.09 0.00 0.00 178.44 179.01 2bc5 h ALA 79 N 1.18 0.73 0.00 1.53 0.00 -0.58 -0.07 119.26 122.05 2bc5 h ALA 79 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2bc5 h ALA 79 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2bc5 h ALA 79 CO -0.10 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.27 2bc5 n ASN 80 N -4.80 0.00 -0.64 0.00 4.13 0.50 -1.67 115.26 112.78 2bc5 n ASN 80 Ca 0.05 -0.28 0.12 0.00 1.68 0.00 0.00 54.58 56.15 2bc5 n ASN 80 Cb 0.11 -0.17 0.18 0.00 -1.54 0.00 0.00 39.78 38.36 2bc5 n ASN 80 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2bc5 n GLU 81 N -1.17 1.67 -0.48 3.52 1.02 -0.09 -4.93 120.64 120.17 2bc5 n GLU 81 Ca 0.13 -1.28 0.00 0.00 -0.02 0.00 0.00 57.16 55.98 2bc5 n GLU 81 Cb 0.13 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2bc5 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bc5 n GLY 82 N 1.34 0.96 3.31 0.62 0.00 -0.67 -4.97 105.19 105.78 2bc5 n GLY 82 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2bc5 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bc5 n LYS 83 N -2.00 3.40 -0.06 1.61 5.02 -0.87 -4.84 118.16 120.42 2bc5 n LYS 83 Ca 0.00 -3.68 -0.10 0.00 -2.02 0.00 0.00 58.31 52.52 2bc5 n LYS 83 Cb 0.00 -3.07 -0.03 0.00 -0.02 0.00 0.00 35.03 31.91 2bc5 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2bc5 h VAL 84 N 4.49 1.06 -0.49 -0.18 2.07 -1.86 -1.85 116.25 119.49 2bc5 h VAL 84 Ca 0.36 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.72 2bc5 h VAL 84 Cb 0.80 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2bc5 h VAL 84 CO 1.38 0.06 0.12 0.11 0.02 0.00 0.00 177.57 179.26 2bc5 h LYS 85 N 0.31 0.79 -0.86 1.57 6.56 -1.97 -0.75 116.57 122.22 2bc5 h LYS 85 Ca 0.09 -0.19 -0.00 0.00 -1.06 0.00 0.00 60.65 59.48 2bc5 h LYS 85 Cb -0.04 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 31.48 2bc5 h LYS 85 CO -0.02 0.77 0.52 0.93 -2.06 0.00 0.00 179.45 179.59 2bc5 h GLU 86 N 0.68 1.16 -0.60 3.15 5.08 -1.95 -0.08 114.58 122.03 2bc5 h GLU 86 Ca 0.16 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2bc5 h GLU 86 Cb 0.33 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2bc5 h GLU 86 CO 0.00 0.81 0.28 0.00 -1.00 0.00 0.00 179.01 179.10 2bc5 h ALA 87 N 1.28 0.77 -0.80 3.43 0.00 -0.98 0.75 119.26 123.72 2bc5 h ALA 87 Ca 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2bc5 h ALA 87 Cb -0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 2bc5 h ALA 87 CO -0.06 0.34 0.36 1.96 0.00 0.00 0.00 179.25 181.86 2bc5 h GLN 88 N 0.82 1.16 -0.59 0.00 4.20 -0.51 0.07 115.11 120.26 2bc5 h GLN 88 Ca 0.20 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2bc5 h GLN 88 Cb 0.13 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2bc5 h GLN 88 CO -0.02 0.91 0.16 0.00 -0.67 0.00 0.00 178.83 179.21 2bc5 h ALA 89 N 1.19 0.78 -0.49 3.87 0.00 -0.53 -1.91 119.26 122.17 2bc5 h ALA 89 Ca 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2bc5 h ALA 89 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2bc5 h ALA 89 CO -0.03 0.47 0.19 0.00 0.00 0.00 0.00 179.25 179.88 2bc5 h ALA 90 N 1.04 1.42 -0.41 0.00 0.00 -0.22 -1.92 119.26 119.17 2bc5 h ALA 90 Ca 0.19 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2bc5 h ALA 90 Cb 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2bc5 h ALA 90 CO -0.00 0.44 -0.00 0.00 0.00 0.00 0.00 179.25 179.69 2bc5 h ALA 91 N 1.51 1.24 -0.02 0.00 0.00 -0.30 -2.64 119.26 119.05 2bc5 h ALA 91 Ca 0.17 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2bc5 h ALA 91 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2bc5 h ALA 91 CO -0.02 0.51 -0.59 1.49 0.00 0.00 0.00 179.25 180.64 2bc5 h GLU 92 N 0.62 0.07 -0.03 0.00 4.22 -0.62 -2.94 114.58 115.89 2bc5 h GLU 92 Ca 0.13 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 59.44 2bc5 h GLU 92 Cb 0.39 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2bc5 h GLU 92 CO 0.01 0.64 -0.35 1.96 -2.18 0.00 0.00 179.01 179.10 2bc5 h GLN 93 N 0.05 0.06 -1.00 1.92 4.20 -1.10 -3.01 115.11 116.23 2bc5 h GLN 93 Ca -0.01 -0.02 0.20 0.00 0.06 0.00 0.00 58.65 58.88 2bc5 h GLN 93 Cb 1.06 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.73 2bc5 h GLN 93 CO 0.08 0.41 0.61 -0.07 -0.67 0.00 0.00 178.83 179.19 2bc5 h LEU 94 N 0.06 0.75 -0.97 1.46 3.38 -1.32 -2.55 115.31 116.11 2bc5 h LEU 94 Ca 0.00 0.10 0.38 0.00 0.09 0.00 0.00 57.88 58.45 2bc5 h LEU 94 Cb 0.65 -0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.19 2bc5 h LEU 94 CO 0.05 0.25 0.41 0.29 0.09 0.00 0.00 178.44 179.53 2bc5 n LYS 95 N -4.76 -0.06 -0.31 1.13 5.02 -1.14 0.53 118.16 118.56 2bc5 n LYS 95 Ca 0.24 1.37 0.09 0.00 -2.02 0.00 0.00 58.31 57.99 2bc5 n LYS 95 Cb 0.61 -2.39 0.26 0.00 -0.02 0.00 0.00 35.03 33.48 2bc5 n LYS 95 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2bc5 h THR 96 N 0.00 0.71 -0.53 -0.18 2.02 -1.70 0.85 112.91 114.09 2bc5 h THR 96 Ca 0.77 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.64 2bc5 h THR 96 Cb 1.97 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2bc5 h THR 96 CO -0.79 0.12 -0.00 0.74 0.37 0.00 0.00 175.52 175.96 2bc5 h THR 97 N 0.66 1.26 0.14 3.16 2.02 -0.13 -1.12 112.91 118.91 2bc5 h THR 97 Ca 0.50 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 2bc5 h THR 97 Cb 0.74 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2bc5 h THR 97 CO -0.38 0.39 -0.07 0.00 0.37 0.00 0.00 175.52 175.84 2bc5 h ASN 99 N -0.21 0.74 -0.33 0.00 -0.26 -0.77 -1.95 115.58 112.80 2bc5 h ASN 99 Ca -0.02 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.73 2bc5 h ASN 99 Cb 0.16 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 2bc5 h ASN 99 CO 0.03 0.53 0.17 0.00 -1.06 0.00 0.00 177.43 177.10 2bc5 h ALA 100 N 1.26 0.41 -0.22 -0.83 0.00 -1.12 -1.03 119.26 117.73 2bc5 h ALA 100 Ca 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2bc5 h ALA 100 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2bc5 h ALA 100 CO -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 179.25 178.93 2bc5 h HIS 102 N 0.16 0.88 -0.19 0.00 -0.00 -1.15 0.20 115.15 115.05 2bc5 h HIS 102 Ca 0.06 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.49 2bc5 h HIS 102 Cb 0.49 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2bc5 h HIS 102 CO 0.05 0.38 -0.04 0.37 -0.00 0.00 0.00 177.93 178.69 2bc5 h GLN 103 N 0.79 0.01 0.26 2.45 5.75 -0.94 -0.33 115.11 123.10 2bc5 h GLN 103 Ca 0.42 -0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.58 2bc5 h GLN 103 Cb 0.52 -0.00 0.04 0.00 1.07 0.00 0.00 27.48 29.11 2bc5 h GLN 103 CO -0.18 0.01 -1.47 0.87 -2.65 0.00 0.00 178.83 175.40 2bc5 h LYS 104 N 0.01 0.54 -0.00 1.69 1.57 -1.16 -3.42 116.57 115.81 2bc5 h LYS 104 Ca 0.09 -0.93 0.00 0.00 -1.87 0.00 0.00 60.65 57.94 2bc5 h LYS 104 Cb 0.13 0.35 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2bc5 h LYS 104 CO -0.19 1.44 -0.02 0.66 -0.57 0.00 0.00 179.45 180.77 2bc5 n TYR 105 N -3.73 0.00 1.98 -1.35 4.02 0.63 -5.11 117.16 113.59 2bc5 n TYR 105 Ca -0.17 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.88 2bc5 n TYR 105 Cb 1.10 0.00 0.93 0.00 -0.02 0.00 0.00 39.34 41.35 2bc5 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72