#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r80 s HIS 2 N 0.00 2.59 -0.18 1.45 5.65 -1.26 -5.04 115.29 118.50 2r80 s HIS 2 Ca 0.00 -0.55 -0.03 0.00 0.25 0.00 0.00 55.06 54.72 2r80 s HIS 2 Cb 0.00 -1.66 -0.02 0.00 -1.18 0.00 0.00 32.58 29.72 2r80 s HIS 2 CO 0.00 -0.11 -0.05 -1.58 -0.65 0.00 0.00 174.74 172.35 2r80 s TRP 3 N -0.20 2.96 0.67 3.88 0.52 -1.26 -5.12 118.94 120.40 2r80 s TRP 3 Ca -0.01 -0.62 -0.11 0.00 0.02 0.00 0.00 56.10 55.38 2r80 s TRP 3 Cb -0.13 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.16 2r80 s TRP 3 CO 0.03 -0.29 1.06 -1.54 0.02 0.00 0.00 176.95 176.23 2r80 s SER 4 N 0.89 5.69 0.25 2.95 1.04 -1.26 -4.89 113.70 118.38 2r80 s SER 4 Ca -0.01 1.41 -0.03 0.00 0.48 0.00 0.00 55.95 57.80 2r80 s SER 4 Cb -0.15 -2.33 0.44 0.00 0.10 0.00 0.00 66.02 64.08 2r80 s SER 4 CO 0.01 -1.22 1.79 0.00 0.98 0.00 0.00 173.24 174.81 2r80 h ALA 5 N -0.56 1.20 -0.31 5.32 0.00 -1.99 -0.89 119.26 122.02 2r80 h ALA 5 Ca -0.44 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2r80 h ALA 5 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2r80 h ALA 5 CO 0.61 0.04 0.16 0.93 0.00 0.00 0.00 179.25 180.98 2r80 h GLU 6 N 0.73 0.45 -0.48 0.00 3.07 -1.99 -1.50 114.58 114.85 2r80 h GLU 6 Ca 0.42 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.20 2r80 h GLU 6 Cb 0.45 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2r80 h GLU 6 CO -0.28 0.41 0.24 0.93 -1.40 0.00 0.00 179.01 178.91 2r80 h GLU 7 N 0.38 0.69 -0.81 2.33 5.08 -1.81 -1.22 114.58 119.22 2r80 h GLU 7 Ca 0.11 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2r80 h GLU 7 Cb 0.10 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2r80 h GLU 7 CO -0.01 0.57 0.53 0.87 -1.00 0.00 0.00 179.01 179.96 2r80 h LYS 8 N 0.64 1.01 -0.32 2.33 1.57 -1.00 -1.95 116.57 118.85 2r80 h LYS 8 Ca 0.17 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2r80 h LYS 8 Cb 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2r80 h LYS 8 CO -0.02 0.67 0.10 0.37 -0.57 0.00 0.00 179.45 179.99 2r80 h GLN 9 N 1.04 0.49 -0.69 3.15 -0.00 -0.93 -0.48 115.11 117.70 2r80 h GLN 9 Ca 0.32 -0.11 0.01 0.00 -0.00 0.00 0.00 58.65 58.88 2r80 h GLN 9 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.35 2r80 h GLN 9 CO -0.10 0.53 0.45 -0.07 0.00 0.00 0.00 178.83 179.64 2r80 h LEU 10 N 0.36 0.77 0.04 -2.39 3.38 -1.01 -1.46 115.31 115.01 2r80 h LEU 10 Ca 0.10 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2r80 h LEU 10 Cb 0.24 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2r80 h LEU 10 CO -0.00 0.56 -0.52 0.40 0.09 0.00 0.00 178.44 178.96 2r80 h ILE 11 N 0.91 1.52 -0.42 1.22 2.04 -1.15 -3.07 117.51 118.56 2r80 h ILE 11 Ca 0.26 -2.22 -0.13 0.00 1.00 0.00 0.00 64.86 63.77 2r80 h ILE 11 Cb -0.08 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2r80 h ILE 11 CO -0.06 0.62 -0.25 0.74 0.00 0.00 0.00 178.15 179.21 2r80 h THR 12 N -0.38 1.27 -0.17 -0.27 2.02 -0.99 -1.84 112.91 112.56 2r80 h THR 12 Ca -0.08 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 2r80 h THR 12 Cb 1.31 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2r80 h THR 12 CO 0.10 0.47 0.03 0.77 0.37 0.00 0.00 175.52 177.26 2r80 h SER 13 N 0.75 0.27 -0.57 4.18 4.64 -1.38 -1.85 113.55 119.58 2r80 h SER 13 Ca 0.10 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 2r80 h SER 13 Cb 0.79 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 2r80 h SER 13 CO 0.07 0.46 0.33 0.40 -0.87 0.00 0.00 176.83 177.22 2r80 h ILE 14 N 0.07 1.18 -0.15 0.95 1.08 -1.51 -2.95 117.51 116.18 2r80 h ILE 14 Ca 0.05 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.12 2r80 h ILE 14 Cb 0.31 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 2r80 h ILE 14 CO 0.00 0.19 0.01 -0.25 -0.69 0.00 0.00 178.15 177.41 2r80 h TRP 15 N 0.77 0.01 -0.95 1.37 2.91 -1.22 -0.83 115.95 118.00 2r80 h TRP 15 Ca 0.20 0.01 0.18 0.00 1.13 0.00 0.00 58.89 60.42 2r80 h TRP 15 Cb 0.01 0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 28.59 2r80 h TRP 15 CO -0.02 -0.01 0.61 0.78 -1.03 0.00 0.00 178.44 178.77 2r80 h GLY 16 N 0.06 1.35 0.50 2.65 0.00 -1.18 -2.97 103.07 103.48 2r80 h GLY 16 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2r80 h GLY 16 CO -0.11 0.00 -1.40 0.28 0.00 0.00 0.00 176.54 175.31 2r80 n LYS 17 N -4.63 0.55 -2.17 4.80 5.02 -0.95 -4.94 118.16 115.84 2r80 n LYS 17 Ca 0.21 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 2r80 n LYS 17 Cb 0.58 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 2r80 n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2r80 s VAL 18 N -3.38 2.94 -0.71 -0.18 0.11 -0.36 -4.94 120.40 113.89 2r80 s VAL 18 Ca -0.02 0.86 -0.26 0.00 -2.93 0.00 0.00 61.98 59.63 2r80 s VAL 18 Cb 0.12 -3.55 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 2r80 s VAL 18 CO 0.84 0.17 1.71 0.21 -3.33 0.00 0.00 175.10 174.70 2r80 s ASN 19 N -0.12 5.54 0.15 3.54 3.84 -1.26 -4.88 114.94 121.74 2r80 s ASN 19 Ca 0.53 -0.10 -0.13 0.00 0.21 0.00 0.00 52.86 53.36 2r80 s ASN 19 Cb -0.38 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 37.81 2r80 s ASN 19 CO 0.45 -2.25 1.68 0.58 -2.79 0.00 0.00 177.10 174.77 2r80 h VAL 20 N 6.73 1.23 -0.16 -5.21 2.07 -1.94 -0.28 116.25 118.69 2r80 h VAL 20 Ca -0.19 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2r80 h VAL 20 Cb 1.10 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2r80 h VAL 20 CO 1.24 0.28 0.07 0.00 0.02 0.00 0.00 177.57 179.19 2r80 h ALA 21 N 1.02 0.21 0.06 1.67 0.00 -1.90 -0.75 119.26 119.57 2r80 h ALA 21 Ca 0.16 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 2r80 h ALA 21 Cb 0.27 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.02 2r80 h ALA 21 CO -0.01 -0.21 -1.07 -0.44 0.00 0.00 0.00 179.25 177.52 2r80 h ASP 22 N 0.13 0.83 0.68 0.00 3.32 -1.93 -2.24 116.42 117.21 2r80 h ASP 22 Ca 0.06 -0.79 -0.14 0.00 0.02 0.00 0.00 57.03 56.17 2r80 h ASP 22 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2r80 h ASP 22 CO -0.01 1.53 -0.68 0.00 -1.72 0.00 0.00 179.24 178.36 2r80 h GLY 24 N 2.05 0.72 1.00 0.00 0.00 -1.15 -0.79 103.07 104.91 2r80 h GLY 24 Ca -0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 2r80 h GLY 24 CO 0.09 0.61 0.35 0.00 0.00 0.00 0.00 176.54 177.58 2r80 h ALA 25 N 0.75 0.87 -0.53 3.60 0.00 -1.31 -2.34 119.26 120.30 2r80 h ALA 25 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2r80 h ALA 25 Cb 0.72 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2r80 h ALA 25 CO 0.05 0.42 0.24 1.49 0.00 0.00 0.00 179.25 181.45 2r80 h GLU 26 N 0.94 0.78 -0.41 0.00 4.81 -1.12 -1.09 114.58 118.48 2r80 h GLU 26 Ca 0.24 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2r80 h GLU 26 Cb 0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2r80 h GLU 26 CO -0.03 0.65 0.17 0.00 -0.73 0.00 0.00 179.01 179.07 2r80 h ALA 27 N 1.08 0.53 -0.28 2.92 0.00 -0.92 -0.96 119.26 121.63 2r80 h ALA 27 Ca 0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2r80 h ALA 27 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2r80 h ALA 27 CO -0.02 0.12 -0.10 1.25 0.00 0.00 0.00 179.25 180.50 2r80 h LEU 28 N 0.51 0.57 -0.44 0.00 5.85 -1.33 -1.06 115.31 119.41 2r80 h LEU 28 Ca 0.14 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2r80 h LEU 28 Cb 0.17 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2r80 h LEU 28 CO -0.01 0.83 0.23 0.00 -0.34 0.00 0.00 178.44 179.15 2r80 h ALA 29 N 0.76 0.56 -0.62 1.25 0.00 -1.08 -1.97 119.26 118.15 2r80 h ALA 29 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2r80 h ALA 29 Cb 0.60 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2r80 h ALA 29 CO 0.03 -0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.34 2r80 h ARG 30 N 0.47 0.96 -0.44 0.00 3.08 -1.06 -0.39 114.38 116.98 2r80 h ARG 30 Ca 0.19 -0.20 0.07 0.00 0.07 0.00 0.00 59.98 60.11 2r80 h ARG 30 Cb 0.08 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 2r80 h ARG 30 CO -0.12 0.84 0.10 1.25 -1.07 0.00 0.00 179.97 180.97 2r80 h LEU 31 N 0.92 0.03 -0.75 3.04 5.85 -0.72 0.22 115.31 123.90 2r80 h LEU 31 Ca 0.20 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.87 2r80 h LEU 31 Cb 0.30 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2r80 h LEU 31 CO -0.00 0.05 -0.60 -0.07 -0.34 0.00 0.00 178.44 177.48 2r80 h LEU 32 N 0.23 0.00 0.07 2.25 3.38 -0.78 -1.52 115.31 118.94 2r80 h LEU 32 Ca 0.22 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.00 2r80 h LEU 32 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2r80 h LEU 32 CO -0.28 0.60 -0.96 0.40 0.09 0.00 0.00 178.44 178.29 2r80 h ILE 33 N 0.00 1.27 0.00 1.22 2.04 -0.82 -3.33 117.51 117.89 2r80 h ILE 33 Ca -0.01 -2.37 -0.20 0.00 1.00 0.00 0.00 64.86 63.28 2r80 h ILE 33 Cb 1.10 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 40.03 2r80 h ILE 33 CO 0.08 0.61 -0.88 0.58 0.00 0.00 0.00 178.15 178.54 2r80 h VAL 34 N -0.60 1.48 -2.47 1.67 2.07 -0.62 -3.37 116.25 114.41 2r80 h VAL 34 Ca -0.22 -2.59 -0.60 0.00 0.82 0.00 0.00 66.70 64.12 2r80 h VAL 34 Cb 1.48 2.45 -0.41 0.00 -1.52 0.00 0.00 31.29 33.30 2r80 h VAL 34 CO 0.01 0.76 -0.76 -1.22 0.02 0.00 0.00 177.57 176.38 2r80 n TYR 35 N -3.67 1.85 0.33 1.57 4.01 -0.57 -5.00 117.16 115.68 2r80 n TYR 35 Ca -0.04 -3.92 0.14 0.00 -0.16 0.00 0.00 57.90 53.92 2r80 n TYR 35 Cb 0.80 -0.37 0.62 0.00 -0.31 0.00 0.00 39.34 40.08 2r80 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2r80 h PRO 36 N 4.82 0.00 -0.00 -0.72 0.14 -1.73 -1.36 132.00 133.14 2r80 h PRO 36 Ca 0.17 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.31 2r80 h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.92 2r80 h PRO 36 CO 0.64 0.00 0.00 0.11 0.14 0.00 0.00 178.00 178.89 2r80 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.77 115.95 113.91 2r80 h TRP 37 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 2r80 h TRP 37 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.59 2r80 h TRP 37 CO 0.00 0.00 -0.02 1.79 0.09 0.00 0.00 178.44 180.30 2r80 h THR 38 N 0.00 0.13 -0.19 0.12 1.35 -1.55 -1.88 112.91 110.88 2r80 h THR 38 Ca 0.00 -0.25 0.06 0.00 -0.55 0.00 0.00 66.41 65.66 2r80 h THR 38 Cb 0.00 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 2r80 h THR 38 CO -0.00 0.02 0.16 1.56 -0.25 0.00 0.00 175.52 177.01 2r80 h GLN 39 N 0.00 0.00 -0.61 4.72 4.20 -1.52 -2.61 115.11 119.29 2r80 h GLN 39 Ca -0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2r80 h GLN 39 Cb 0.21 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 2r80 h GLN 39 CO 0.00 0.00 0.41 -0.09 -0.67 0.00 0.00 178.83 178.49 2r80 h ARG 40 N 0.00 0.28 0.00 1.46 2.43 -1.53 -1.49 114.38 115.52 2r80 h ARG 40 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2r80 h ARG 40 Cb 0.40 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2r80 h ARG 40 CO -0.00 0.18 0.00 1.19 -1.51 0.00 0.00 179.97 179.83 2r80 n PHE 41 N -4.45 0.50 -1.56 2.20 3.72 -0.98 -3.87 117.46 113.01 2r80 n PHE 41 Ca 0.11 0.15 0.01 0.00 -0.05 0.00 0.00 57.45 57.67 2r80 n PHE 41 Cb 0.47 -0.75 0.20 0.00 -0.94 0.00 0.00 39.48 38.46 2r80 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2r80 n PHE 42 N -1.92 0.52 0.30 1.38 3.72 -0.56 -4.80 117.46 116.11 2r80 n PHE 42 Ca 0.06 -1.58 0.17 0.00 -0.05 0.00 0.00 57.45 56.05 2r80 n PHE 42 Cb 0.36 -0.35 0.81 0.00 -0.94 0.00 0.00 39.48 39.36 2r80 n PHE 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2r80 h SER 43 N 1.05 0.00 0.46 4.37 4.64 -1.67 -1.08 113.55 121.32 2r80 h SER 43 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2r80 h SER 43 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2r80 h SER 43 CO 0.18 0.00 -0.05 -1.54 -0.87 0.00 0.00 176.83 174.55 2r80 n SER 44 N -2.82 0.21 -0.09 4.97 3.41 -1.26 -3.80 113.62 114.23 2r80 n SER 44 Ca -0.01 -0.36 0.14 0.00 -0.26 0.00 0.00 58.87 58.39 2r80 n SER 44 Cb 0.18 -0.18 0.67 0.00 -0.26 0.00 0.00 64.21 64.62 2r80 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2r80 n PHE 45 N -1.14 0.00 -0.42 7.33 0.99 -0.41 -5.02 117.46 118.79 2r80 n PHE 45 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 2r80 n PHE 45 Cb 0.25 -0.18 0.00 0.00 -1.00 0.00 0.00 39.48 38.56 2r80 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2r80 n GLY 46 N 1.25 0.69 3.60 1.37 0.00 -1.25 -4.72 105.19 106.12 2r80 n GLY 46 Ca 0.16 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 2r80 n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2r80 s ASN 47 N -4.00 6.41 -0.17 1.61 3.84 -1.26 -4.85 114.94 116.51 2r80 s ASN 47 Ca 0.00 0.67 0.13 0.00 0.21 0.00 0.00 52.86 53.87 2r80 s ASN 47 Cb 0.00 -2.54 0.41 0.00 -0.55 0.00 0.00 41.25 38.56 2r80 s ASN 47 CO 0.00 -1.40 1.21 0.18 -2.79 0.00 0.00 177.10 174.29 2r80 n LEU 48 N 8.59 2.42 -0.35 3.21 4.77 -1.26 -4.21 117.00 130.16 2r80 n LEU 48 Ca 0.15 -3.56 0.13 0.00 -0.03 0.00 0.00 56.01 52.71 2r80 n LEU 48 Cb 0.48 -0.44 0.45 0.00 -2.33 0.00 0.00 43.42 41.58 2r80 n LEU 48 CO 0.71 1.22 0.76 -1.54 -1.33 0.00 0.00 177.39 177.21 2r80 n SER 49 N -0.90 1.24 -3.61 -1.43 3.41 -1.26 -4.79 113.62 106.28 2r80 n SER 49 Ca 0.17 -1.17 -0.11 0.00 -0.26 0.00 0.00 58.87 57.50 2r80 n SER 49 Cb 0.75 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.73 2r80 n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2r80 s SER 50 N -2.27 -0.30 0.22 4.04 1.04 -1.26 -5.01 113.70 110.16 2r80 s SER 50 Ca 0.31 -0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.37 2r80 s SER 50 Cb 0.20 0.52 0.28 0.00 0.10 0.00 0.00 66.02 67.12 2r80 s SER 50 CO 0.43 -0.92 1.82 0.00 0.98 0.00 0.00 173.24 175.55 2r80 h ALA 51 N 2.26 0.99 -0.17 5.32 0.00 -1.99 0.11 119.26 125.78 2r80 h ALA 51 Ca -0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2r80 h ALA 51 Cb 1.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2r80 h ALA 51 CO 0.43 0.11 0.11 1.15 0.00 0.00 0.00 179.25 181.05 2r80 h THR 52 N 0.77 1.06 -0.51 0.00 2.02 -1.98 -0.84 112.91 113.43 2r80 h THR 52 Ca 0.33 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 2r80 h THR 52 Cb 0.20 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2r80 h THR 52 CO -0.19 0.06 0.28 0.00 0.37 0.00 0.00 175.52 176.04 2r80 h ALA 53 N 1.04 0.66 -0.00 6.16 0.00 -1.78 -0.97 119.26 124.36 2r80 h ALA 53 Ca 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2r80 h ALA 53 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2r80 h ALA 53 CO -0.01 0.18 0.00 0.82 0.00 0.00 0.00 179.25 180.24 2r80 h ILE 54 N 0.68 1.07 -0.09 0.00 2.04 -0.71 -1.59 117.51 118.91 2r80 h ILE 54 Ca 0.18 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2r80 h ILE 54 Cb 0.06 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2r80 h ILE 54 CO -0.03 0.05 -0.12 0.28 0.00 0.00 0.00 178.15 178.34 2r80 h SER 55 N -0.08 0.13 0.07 1.72 0.02 -1.00 -2.41 113.55 112.00 2r80 h SER 55 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2r80 h SER 55 Cb 0.09 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2r80 h SER 55 CO -0.00 0.26 -0.13 0.61 -1.14 0.00 0.00 176.83 176.44 2r80 n GLY 56 N -1.03 -0.12 3.66 -3.77 0.00 -0.38 -4.85 105.19 98.70 2r80 n GLY 56 Ca -0.01 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2r80 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2r80 s ASN 57 N -2.22 6.84 0.40 1.61 3.84 -0.61 -4.90 114.94 119.90 2r80 s ASN 57 Ca 0.31 1.85 0.12 0.00 0.21 0.00 0.00 52.86 55.34 2r80 s ASN 57 Cb 0.20 -2.54 0.81 0.00 -0.55 0.00 0.00 41.25 39.18 2r80 s ASN 57 CO 0.42 -0.83 1.90 1.55 -2.79 0.00 0.00 177.10 177.34 2r80 h PRO 58 N 8.70 0.08 -0.45 0.43 0.13 -1.90 -1.19 132.00 137.79 2r80 h PRO 58 Ca -0.30 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.69 2r80 h PRO 58 Cb 1.13 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2r80 h PRO 58 CO 0.97 0.32 -0.16 -0.91 -0.23 0.00 0.00 178.00 177.99 2r80 h ASN 59 N 0.07 0.91 -0.12 1.44 2.35 -1.90 -1.14 115.58 117.18 2r80 h ASN 59 Ca 0.01 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2r80 h ASN 59 Cb 0.48 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2r80 h ASN 59 CO 0.03 1.09 0.07 0.58 -1.65 0.00 0.00 177.43 177.55 2r80 h VAL 60 N 0.73 1.01 -0.61 2.81 2.07 -1.74 -0.06 116.25 120.46 2r80 h VAL 60 Ca 0.11 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.59 2r80 h VAL 60 Cb 0.72 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2r80 h VAL 60 CO 0.05 0.03 0.40 0.11 0.02 0.00 0.00 177.57 178.18 2r80 h LYS 61 N 0.15 0.79 -0.32 1.57 1.57 -1.15 0.11 116.57 119.30 2r80 h LYS 61 Ca 0.05 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2r80 h LYS 61 Cb -0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 2r80 h LYS 61 CO -0.02 0.52 -0.51 0.00 -0.57 0.00 0.00 179.45 178.87 2r80 h ALA 62 N 1.24 0.49 -0.38 3.86 0.00 -1.09 -2.84 119.26 120.53 2r80 h ALA 62 Ca 0.23 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2r80 h ALA 62 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2r80 h ALA 62 CO -0.06 0.68 -0.23 1.25 0.00 0.00 0.00 179.25 180.89 2r80 h HIS 63 N 0.70 0.87 -0.95 0.00 -0.00 -0.83 -2.85 115.15 112.09 2r80 h HIS 63 Ca 0.03 -0.20 0.07 0.00 -0.00 0.00 0.00 60.37 60.27 2r80 h HIS 63 Cb 1.12 -0.21 -0.07 0.00 -0.00 0.00 0.00 27.41 28.25 2r80 h HIS 63 CO 0.07 0.92 0.60 0.78 -0.00 0.00 0.00 177.93 180.30 2r80 h GLY 64 N 0.96 1.46 1.00 5.26 0.00 -0.92 -1.14 103.07 109.69 2r80 h GLY 64 Ca 0.09 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2r80 h GLY 64 CO 0.06 0.28 0.34 1.70 0.00 0.00 0.00 176.54 178.92 2r80 h LYS 65 N 1.07 0.76 -0.97 4.80 3.64 -1.29 -1.94 116.57 122.65 2r80 h LYS 65 Ca 0.42 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.78 2r80 h LYS 65 Cb 0.22 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 2r80 h LYS 65 CO -0.19 0.54 0.62 0.87 -2.27 0.00 0.00 179.45 179.02 2r80 h LYS 66 N 0.76 1.14 -0.17 1.90 1.57 -1.13 -1.19 116.57 119.45 2r80 h LYS 66 Ca 0.20 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2r80 h LYS 66 Cb -0.03 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 2r80 h LYS 66 CO -0.04 0.76 -0.01 0.28 -0.57 0.00 0.00 179.45 179.87 2r80 h VAL 67 N 1.18 1.26 -0.16 0.50 2.07 -0.88 -1.36 116.25 118.86 2r80 h VAL 67 Ca 0.40 -0.89 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 2r80 h VAL 67 Cb 0.07 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2r80 h VAL 67 CO -0.14 0.27 -0.42 0.25 0.02 0.00 0.00 177.57 177.54 2r80 h LEU 68 N 0.06 0.41 -0.85 2.57 5.85 -1.29 -1.70 115.31 120.35 2r80 h LEU 68 Ca 0.05 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.66 2r80 h LEU 68 Cb 0.40 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 2r80 h LEU 68 CO 0.01 0.78 0.52 0.74 -0.34 0.00 0.00 178.44 180.15 2r80 h THR 69 N 0.32 0.99 -0.44 1.05 2.02 -1.12 -0.83 112.91 114.90 2r80 h THR 69 Ca 0.03 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 2r80 h THR 69 Cb 0.88 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2r80 h THR 69 CO 0.07 0.17 0.15 -1.28 0.37 0.00 0.00 175.52 175.00 2r80 h SER 70 N 0.91 0.63 -0.91 4.18 0.87 -0.70 -1.09 113.55 117.44 2r80 h SER 70 Ca 0.39 -0.19 0.13 0.00 -1.23 0.00 0.00 61.79 60.88 2r80 h SER 70 Cb 0.24 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 61.97 2r80 h SER 70 CO -0.20 0.65 0.59 -0.26 -0.53 0.00 0.00 176.83 177.08 2r80 h PHE 71 N 0.57 0.93 -0.90 2.24 -1.00 -0.91 0.23 116.94 118.10 2r80 h PHE 71 Ca 0.14 0.03 0.17 0.00 2.81 0.00 0.00 57.97 61.12 2r80 h PHE 71 Cb 0.24 -0.29 -0.07 0.00 3.61 0.00 0.00 35.95 39.43 2r80 h PHE 71 CO 0.01 0.37 0.58 0.78 -1.61 0.00 0.00 178.31 178.44 2r80 h GLY 72 N 0.81 1.14 2.00 -1.45 0.00 0.11 -0.60 103.07 105.08 2r80 h GLY 72 Ca 0.45 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2r80 h GLY 72 CO -0.21 0.03 -0.21 -0.55 0.00 0.00 0.00 176.54 175.60 2r80 h ASP 73 N 0.59 0.00 -0.09 0.19 3.32 -0.34 -1.53 116.42 118.55 2r80 h ASP 73 Ca 0.47 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 2r80 h ASP 73 Cb 0.92 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 2r80 h ASP 73 CO -0.22 0.21 -0.03 0.00 -1.72 0.00 0.00 179.24 177.48 2r80 h ALA 74 N 1.79 0.13 -0.80 3.45 0.00 -1.00 -3.18 119.26 119.65 2r80 h ALA 74 Ca -0.00 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.84 2r80 h ALA 74 Cb 0.37 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 2r80 h ALA 74 CO 0.03 -0.13 0.34 0.28 0.00 0.00 0.00 179.25 179.77 2r80 h VAL 75 N -0.17 0.63 0.00 0.00 2.07 -0.92 -2.60 116.25 115.26 2r80 h VAL 75 Ca 0.02 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2r80 h VAL 75 Cb 0.45 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2r80 h VAL 75 CO 0.01 0.09 -0.04 0.11 0.02 0.00 0.00 177.57 177.76 2r80 h LYS 76 N 0.47 0.00 -1.96 1.57 1.57 -1.28 -3.36 116.57 113.58 2r80 h LYS 76 Ca 0.45 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.85 2r80 h LYS 76 Cb 0.71 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.71 2r80 h LYS 76 CO -0.42 0.04 -0.71 1.21 -0.57 0.00 0.00 179.45 179.00 2r80 s ASN 77 N -5.84 1.14 0.52 0.86 3.84 -0.99 -5.02 114.94 109.44 2r80 s ASN 77 Ca 0.02 -1.73 0.31 0.00 0.21 0.00 0.00 52.86 51.66 2r80 s ASN 77 Cb 0.09 0.51 1.29 0.00 -0.55 0.00 0.00 41.25 42.58 2r80 s ASN 77 CO 0.58 -0.24 1.96 -0.07 -2.79 0.00 0.00 177.10 176.53 2r80 h LEU 78 N 6.85 0.00 -2.08 3.21 3.38 -1.68 -2.26 115.31 122.73 2r80 h LEU 78 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2r80 h LEU 78 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2r80 h LEU 78 CO 0.20 0.08 0.00 0.47 0.09 0.00 0.00 178.44 179.28 2r80 n ASP 79 N -3.24 3.08 -0.57 -0.43 8.00 -1.26 -4.16 116.55 117.97 2r80 n ASP 79 Ca 0.00 -1.95 0.06 0.00 0.71 0.00 0.00 54.79 53.61 2r80 n ASP 79 Cb 0.33 -0.29 0.12 0.00 -0.02 0.00 0.00 41.12 41.25 2r80 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2r80 n ASN 80 N 1.21 1.48 -0.36 -2.24 5.15 -0.85 -4.87 115.26 114.78 2r80 n ASN 80 Ca 0.19 -2.96 -0.00 0.00 -0.60 0.00 0.00 54.58 51.21 2r80 n ASN 80 Cb 0.52 -0.40 0.14 0.00 -0.53 0.00 0.00 39.78 39.52 2r80 n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2r80 h ILE 81 N 2.82 1.20 -0.28 -1.44 2.04 -1.72 -1.85 117.51 118.27 2r80 h ILE 81 Ca -0.04 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.43 2r80 h ILE 81 Cb 1.23 -0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 2r80 h ILE 81 CO 0.02 0.23 -0.01 0.50 0.00 0.00 0.00 178.15 178.89 2r80 h LYS 82 N 1.28 0.07 -0.45 2.37 3.64 -1.92 -2.25 116.57 119.31 2r80 h LYS 82 Ca 0.38 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.69 2r80 h LYS 82 Cb -0.04 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2r80 h LYS 82 CO -0.11 0.04 0.01 0.78 -2.27 0.00 0.00 179.45 177.91 2r80 h GLY 83 N 0.07 0.85 0.90 5.01 0.00 -1.89 -2.75 103.07 105.26 2r80 h GLY 83 Ca 0.14 -0.62 0.11 0.00 0.00 0.00 0.00 47.33 46.96 2r80 h GLY 83 CO -0.24 0.57 0.46 -0.84 0.00 0.00 0.00 176.54 176.49 2r80 h THR 84 N 0.63 0.89 -0.49 4.70 2.02 -0.95 -2.78 112.91 116.93 2r80 h THR 84 Ca 0.13 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2r80 h THR 84 Cb 0.48 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2r80 h THR 84 CO 0.02 0.09 0.00 0.49 0.37 0.00 0.00 175.52 176.49 2r80 n PHE 85 N -4.48 0.64 -0.03 3.16 3.01 -0.88 -4.62 117.46 114.27 2r80 n PHE 85 Ca 0.12 -0.41 -0.11 0.00 1.01 0.00 0.00 57.45 58.06 2r80 n PHE 85 Cb 0.39 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.81 2r80 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2r80 h ALA 86 N 3.43 0.19 -0.50 4.37 0.00 -1.20 0.22 119.26 125.78 2r80 h ALA 86 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2r80 h ALA 86 Cb 0.87 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2r80 h ALA 86 CO 0.00 -0.30 -0.11 1.96 0.00 0.00 0.00 179.25 180.80 2r80 h GLN 87 N 0.17 0.95 -0.00 0.00 4.20 -1.82 -2.38 115.11 116.24 2r80 h GLN 87 Ca 0.05 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 2r80 h GLN 87 Cb 0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2r80 h GLN 87 CO -0.01 1.02 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.91 2r80 h LEU 88 N 0.81 0.00 -0.50 1.46 3.38 -1.79 -2.40 115.31 116.27 2r80 h LEU 88 Ca 0.13 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2r80 h LEU 88 Cb 0.66 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2r80 h LEU 88 CO 0.05 0.20 -0.11 -1.28 0.09 0.00 0.00 178.44 177.39 2r80 h SER 89 N 0.00 0.96 -0.39 -0.43 0.87 -0.18 -0.95 113.55 113.44 2r80 h SER 89 Ca -0.00 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.21 2r80 h SER 89 Cb 0.34 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2r80 h SER 89 CO 0.03 1.09 0.25 -0.33 -0.53 0.00 0.00 176.83 177.34 2r80 h GLU 90 N 0.82 0.49 0.32 2.24 5.08 -0.99 -1.25 114.58 121.29 2r80 h GLU 90 Ca 0.13 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2r80 h GLU 90 Cb 0.66 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2r80 h GLU 90 CO 0.05 0.32 -0.31 1.25 -1.00 0.00 0.00 179.01 179.32 2r80 h LEU 91 N 0.50 -0.84 -0.71 1.33 5.85 -1.17 -0.31 115.31 119.96 2r80 h LEU 91 Ca 0.15 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 2r80 h LEU 91 Cb -0.04 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2r80 h LEU 91 CO -0.04 -0.45 -0.63 0.45 -0.34 0.00 0.00 178.44 177.43 2r80 h HIS 92 N -0.66 0.07 0.00 1.25 3.86 -1.07 -0.19 115.15 118.40 2r80 h HIS 92 Ca -0.02 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 2r80 h HIS 92 Cb 0.60 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 2r80 h HIS 92 CO -0.18 0.67 -0.87 0.00 0.86 0.00 0.00 177.93 178.40 2r80 h ASP 94 N -1.00 0.30 0.01 0.00 3.32 -1.20 -2.85 116.42 115.00 2r80 h ASP 94 Ca -0.12 -0.34 -0.38 0.00 0.02 0.00 0.00 57.03 56.21 2r80 h ASP 94 Cb 0.83 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.22 2r80 h ASP 94 CO -0.08 1.27 -2.11 0.29 -1.72 0.00 0.00 179.24 176.89 2r80 n LYS 95 N -3.47 0.61 0.03 3.56 4.76 -1.07 -4.66 118.16 117.92 2r80 n LYS 95 Ca -0.07 0.34 0.11 0.00 -2.87 0.00 0.00 58.31 55.81 2r80 n LYS 95 Cb 1.01 -1.59 -0.08 0.00 -1.84 0.00 0.00 35.03 32.52 2r80 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2r80 n LEU 96 N -4.08 0.42 -3.65 -0.35 4.77 -0.11 -5.00 117.00 109.00 2r80 n LEU 96 Ca -0.45 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.35 2r80 n LEU 96 Cb 0.86 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.97 2r80 n LEU 96 CO 0.15 -0.02 0.03 1.41 -1.33 0.00 0.00 177.39 177.64 2r80 n HIS 97 N -2.23 -2.14 -2.92 -1.77 8.25 -0.82 -4.96 115.22 108.63 2r80 n HIS 97 Ca -0.01 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 57.93 2r80 n HIS 97 Cb 0.52 -4.59 -0.04 0.00 1.12 0.00 0.00 29.99 27.00 2r80 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2r80 s VAL 98 N -3.50 4.89 0.28 1.59 1.01 -0.16 -5.01 120.40 119.50 2r80 s VAL 98 Ca 0.15 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 2r80 s VAL 98 Cb -0.07 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 2r80 s VAL 98 CO 0.78 0.01 1.34 -0.62 0.00 0.00 0.00 175.10 176.61 2r80 s ASP 99 N 1.22 6.77 0.65 3.32 -1.08 -1.26 -4.73 116.67 121.55 2r80 s ASP 99 Ca 0.36 2.62 0.36 0.00 -0.52 0.00 0.00 52.55 55.37 2r80 s ASP 99 Cb -0.16 -2.63 2.00 0.00 -1.46 0.00 0.00 42.92 40.66 2r80 s ASP 99 CO 0.11 -0.57 2.17 -0.65 0.52 0.00 0.00 175.17 176.74 2r80 h PRO 100 N 4.19 0.00 -0.04 4.34 0.11 -1.97 -1.08 132.00 137.55 2r80 h PRO 100 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2r80 h PRO 100 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2r80 h PRO 100 CO 0.71 0.00 0.03 1.49 -0.21 0.00 0.00 178.00 180.02 2r80 h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -2.00 -0.50 114.58 117.71 2r80 h GLU 101 Ca 0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 2r80 h GLU 101 Cb 0.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2r80 h GLU 101 CO -0.00 0.00 -0.29 -0.91 -1.18 0.00 0.00 179.01 176.63 2r80 h ASN 102 N 0.00 0.00 -0.60 1.04 2.35 -1.56 -2.01 115.58 114.79 2r80 h ASN 102 Ca 0.02 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 2r80 h ASN 102 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2r80 h ASN 102 CO -0.00 0.29 0.01 -0.26 -1.65 0.00 0.00 177.43 175.82 2r80 h PHE 103 N 0.00 1.16 -0.59 1.19 0.04 -1.23 -1.04 116.94 116.46 2r80 h PHE 103 Ca -0.00 -0.19 0.01 0.00 2.80 0.00 0.00 57.97 60.58 2r80 h PHE 103 Cb 0.77 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.58 2r80 h PHE 103 CO 0.00 1.01 0.39 -0.09 -0.60 0.00 0.00 178.31 179.02 2r80 h ARG 104 N 0.98 0.76 -0.45 1.51 1.12 -1.30 -1.48 114.38 115.51 2r80 h ARG 104 Ca 0.18 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.97 2r80 h ARG 104 Cb 0.55 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.32 2r80 h ARG 104 CO 0.03 0.50 0.16 -0.07 -3.11 0.00 0.00 179.97 177.48 2r80 h LEU 105 N 0.78 0.65 -0.86 3.80 3.38 -1.04 -1.30 115.31 120.72 2r80 h LEU 105 Ca 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2r80 h LEU 105 Cb -0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2r80 h LEU 105 CO -0.06 0.66 0.44 0.25 0.09 0.00 0.00 178.44 179.83 2r80 h LEU 106 N 0.59 1.10 -0.52 1.67 5.85 -1.13 -1.20 115.31 121.67 2r80 h LEU 106 Ca 0.15 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2r80 h LEU 106 Cb 0.24 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2r80 h LEU 106 CO -0.01 0.90 0.28 1.23 -0.34 0.00 0.00 178.44 180.50 2r80 h GLY 107 N 1.21 0.74 0.95 3.75 0.00 -0.79 0.23 103.07 109.16 2r80 h GLY 107 Ca 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2r80 h GLY 107 CO -0.04 0.14 0.16 -0.55 0.00 0.00 0.00 176.54 176.24 2r80 h ASP 108 N 0.55 0.62 -0.17 0.19 3.45 -0.91 -1.74 116.42 118.40 2r80 h ASP 108 Ca 0.22 -0.19 0.05 0.00 0.43 0.00 0.00 57.03 57.54 2r80 h ASP 108 Cb 0.10 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 38.66 2r80 h ASP 108 CO -0.14 0.64 -0.14 0.40 -1.57 0.00 0.00 179.24 178.43 2r80 h ILE 109 N 0.56 0.60 -0.81 0.35 1.08 -0.85 -2.11 117.51 116.33 2r80 h ILE 109 Ca 0.14 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.69 2r80 h ILE 109 Cb 0.23 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 34.51 2r80 h ILE 109 CO -0.01 0.00 0.48 0.25 -0.69 0.00 0.00 178.15 178.18 2r80 h LEU 110 N -0.16 0.71 -0.40 1.44 5.85 -0.60 -0.23 115.31 121.92 2r80 h LEU 110 Ca 0.11 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2r80 h LEU 110 Cb 0.32 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2r80 h LEU 110 CO -0.27 0.43 0.17 0.58 -0.34 0.00 0.00 178.44 179.01 2r80 h VAL 111 N 0.83 0.92 -0.69 1.05 2.07 -1.05 0.29 116.25 119.67 2r80 h VAL 111 Ca 0.37 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.78 2r80 h VAL 111 Cb 0.27 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2r80 h VAL 111 CO -0.21 0.06 0.46 0.40 0.02 0.00 0.00 177.57 178.30 2r80 h ILE 112 N 0.35 1.18 -0.45 4.57 2.04 -0.77 -0.79 117.51 123.63 2r80 h ILE 112 Ca 0.18 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.73 2r80 h ILE 112 Cb 0.14 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 2r80 h ILE 112 CO -0.16 0.17 0.29 0.40 0.00 0.00 0.00 178.15 178.85 2r80 h ILE 113 N 0.94 1.10 -0.81 -0.67 1.08 -0.64 -1.09 117.51 117.43 2r80 h ILE 113 Ca 0.26 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.48 2r80 h ILE 113 Cb -0.11 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.06 2r80 h ILE 113 CO -0.06 0.11 0.36 -0.07 -0.69 0.00 0.00 178.15 177.80 2r80 h LEU 114 N 0.60 1.08 -0.38 1.44 3.38 -0.75 -1.41 115.31 119.26 2r80 h LEU 114 Ca 0.17 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2r80 h LEU 114 Cb -0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 2r80 h LEU 114 CO -0.04 0.93 0.20 0.00 0.09 0.00 0.00 178.44 179.62 2r80 h ALA 115 N 1.19 0.48 -0.78 1.53 0.00 -0.90 -0.97 119.26 119.80 2r80 h ALA 115 Ca 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2r80 h ALA 115 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2r80 h ALA 115 CO -0.03 -0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.47 2r80 h ALA 116 N 1.19 1.23 -0.19 0.00 0.00 -0.95 -0.64 119.26 119.90 2r80 h ALA 116 Ca 0.16 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2r80 h ALA 116 Cb 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2r80 h ALA 116 CO -0.10 0.60 -0.57 1.25 0.00 0.00 0.00 179.25 180.44 2r80 h HIS 117 N 1.10 0.76 0.00 0.00 6.17 -0.78 -3.34 115.15 119.07 2r80 h HIS 117 Ca 0.27 -0.28 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2r80 h HIS 117 Cb 0.07 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 29.86 2r80 h HIS 117 CO 0.01 1.03 -1.34 1.19 0.71 0.00 0.00 177.93 179.53 2r80 n PHE 118 N -3.96 0.00 -3.53 5.26 3.72 -0.41 -5.07 117.46 113.48 2r80 n PHE 118 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2r80 n PHE 118 Cb 0.62 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2r80 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r80 n GLY 119 N 1.45 3.02 0.11 1.37 0.00 -0.25 -2.48 105.19 108.41 2r80 n GLY 119 Ca -0.00 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.82 2r80 n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r80 n LYS 120 N 14.00 0.13 0.21 1.61 5.02 -1.26 -0.79 118.16 137.08 2r80 n LYS 120 Ca 0.00 0.48 0.15 0.00 -2.02 0.00 0.00 58.31 56.92 2r80 n LYS 120 Cb 0.00 -1.81 0.59 0.00 -0.02 0.00 0.00 35.03 33.79 2r80 n LYS 120 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2r80 h ASP 121 N 0.00 0.00 -0.97 4.39 3.32 -1.88 -3.31 116.42 117.96 2r80 h ASP 121 Ca 0.00 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.31 2r80 h ASP 121 Cb 0.18 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.62 2r80 h ASP 121 CO 0.00 0.00 2.34 0.33 -1.72 0.00 0.00 179.24 180.19 2r80 n PHE 122 N -2.69 3.35 -0.99 4.55 7.35 0.03 -4.91 117.46 124.16 2r80 n PHE 122 Ca 0.01 -2.89 -0.29 0.00 -0.76 0.00 0.00 57.45 53.52 2r80 n PHE 122 Cb 0.27 -2.19 0.18 0.00 0.35 0.00 0.00 39.48 38.10 2r80 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2r80 s THR 123 N 1.54 2.25 0.30 -2.13 -4.23 -1.25 -4.64 115.64 107.47 2r80 s THR 123 Ca 0.43 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 2r80 s THR 123 Cb 0.10 -2.43 0.28 0.00 1.34 0.00 0.00 72.50 71.79 2r80 s THR 123 CO -0.02 -0.11 1.90 -0.65 -0.54 0.00 0.00 174.62 175.20 2r80 h PRO 124 N -1.98 1.00 -0.58 3.99 0.11 -1.94 0.04 132.00 132.65 2r80 h PRO 124 Ca -0.54 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.44 2r80 h PRO 124 Cb 1.31 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2r80 h PRO 124 CO 0.54 0.66 0.07 0.93 -0.21 0.00 0.00 178.00 179.99 2r80 h GLU 125 N 1.03 0.96 -0.25 1.05 3.07 -1.99 -0.09 114.58 118.36 2r80 h GLU 125 Ca 0.41 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2r80 h GLU 125 Cb 0.24 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2r80 h GLU 125 CO -0.16 0.90 0.14 0.00 -1.40 0.00 0.00 179.01 178.50 2r80 h GLN 127 N 0.30 0.38 -0.49 0.00 4.15 -0.78 -0.91 115.11 117.76 2r80 h GLN 127 Ca 0.09 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.54 2r80 h GLN 127 Cb 0.05 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 2r80 h GLN 127 CO -0.02 0.25 0.20 0.00 -1.93 0.00 0.00 178.83 177.34 2r80 h ALA 128 N 1.36 0.60 -0.55 3.38 0.00 -0.79 0.51 119.26 123.78 2r80 h ALA 128 Ca 0.26 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 2r80 h ALA 128 Cb 0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2r80 h ALA 128 CO -0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 179.25 178.80 2r80 h ALA 129 N 1.30 0.74 -0.12 0.00 0.00 -0.91 -1.37 119.26 118.89 2r80 h ALA 129 Ca 0.23 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2r80 h ALA 129 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2r80 h ALA 129 CO -0.20 0.58 -0.71 -1.49 0.00 0.00 0.00 179.25 177.42 2r80 h TRP 130 N 0.85 0.75 -0.61 0.00 4.06 -0.85 -1.27 115.95 118.89 2r80 h TRP 130 Ca 0.15 -0.32 -0.06 0.00 2.06 0.00 0.00 58.89 60.73 2r80 h TRP 130 Cb 0.56 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.57 2r80 h TRP 130 CO 0.04 1.10 0.17 0.37 -3.56 0.00 0.00 178.44 176.56 2r80 h GLN 131 N 0.40 0.97 -0.60 0.49 5.75 -0.87 -1.11 115.11 120.14 2r80 h GLN 131 Ca -0.03 -0.22 0.09 0.00 -0.15 0.00 0.00 58.65 58.33 2r80 h GLN 131 Cb 1.30 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 29.65 2r80 h GLN 131 CO 0.13 0.88 0.23 -0.22 -2.65 0.00 0.00 178.83 177.20 2r80 h LYS 132 N 0.89 0.41 -0.08 1.69 3.64 -1.16 -1.80 116.57 120.16 2r80 h LYS 132 Ca 0.19 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2r80 h LYS 132 Cb 0.33 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2r80 h LYS 132 CO -0.00 0.27 0.04 1.25 -2.27 0.00 0.00 179.45 178.74 2r80 h LEU 133 N 0.42 0.10 -1.77 5.20 5.85 -0.76 -1.09 115.31 123.27 2r80 h LEU 133 Ca 0.30 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2r80 h LEU 133 Cb 0.35 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2r80 h LEU 133 CO -0.29 0.20 -0.15 -0.37 -0.34 0.00 0.00 178.44 177.49 2r80 h VAL 134 N -0.01 0.67 -0.10 1.05 -1.51 -1.12 -1.31 116.25 113.92 2r80 h VAL 134 Ca 0.03 -0.65 -0.17 0.00 -1.23 0.00 0.00 66.70 64.67 2r80 h VAL 134 Cb 0.13 1.41 0.01 0.00 -2.13 0.00 0.00 31.29 30.71 2r80 h VAL 134 CO -0.00 0.15 -0.62 0.03 -1.23 0.00 0.00 177.57 175.90 2r80 h ARG 135 N 0.00 0.60 -0.53 5.19 3.08 -1.03 -1.37 114.38 120.31 2r80 h ARG 135 Ca -0.00 -0.51 0.01 0.00 0.07 0.00 0.00 59.98 59.55 2r80 h ARG 135 Cb 0.40 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2r80 h ARG 135 CO 0.02 1.13 0.33 0.28 -1.07 0.00 0.00 179.97 180.66 2r80 h VAL 136 N 0.23 1.10 -0.36 2.04 2.07 -0.87 -1.19 116.25 119.28 2r80 h VAL 136 Ca -0.05 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.26 2r80 h VAL 136 Cb 1.26 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2r80 h VAL 136 CO 0.13 0.12 0.19 0.58 0.02 0.00 0.00 177.57 178.61 2r80 h VAL 137 N 0.68 1.01 -0.88 2.57 2.07 -1.25 -1.06 116.25 119.39 2r80 h VAL 137 Ca 0.20 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2r80 h VAL 137 Cb -0.04 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2r80 h VAL 137 CO -0.07 0.07 0.56 0.00 0.02 0.00 0.00 177.57 178.15 2r80 h ALA 138 N 1.17 1.32 -0.74 1.67 0.00 -1.04 -0.79 119.26 120.85 2r80 h ALA 138 Ca 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2r80 h ALA 138 Cb 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2r80 h ALA 138 CO -0.09 0.61 0.23 1.25 0.00 0.00 0.00 179.25 181.25 2r80 h HIS 139 N 1.21 1.20 -0.06 0.00 6.17 -0.90 -1.60 115.15 121.17 2r80 h HIS 139 Ca 0.32 -0.12 -0.12 0.00 0.71 0.00 0.00 60.37 61.16 2r80 h HIS 139 Cb -0.09 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 29.47 2r80 h HIS 139 CO 0.00 0.95 -0.50 0.00 0.71 0.00 0.00 177.93 179.09 2r80 h ALA 140 N 1.13 1.05 -0.00 5.26 0.00 -0.44 -3.00 119.26 123.26 2r80 h ALA 140 Ca 0.24 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2r80 h ALA 140 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2r80 h ALA 140 CO -0.01 0.65 -0.77 -0.07 0.00 0.00 0.00 179.25 179.06 2r80 h LEU 141 N 0.12 0.02 -6.64 0.00 3.38 -0.90 -3.35 115.31 107.94 2r80 h LEU 141 Ca 0.00 -0.01 -0.80 0.00 0.09 0.00 0.00 57.88 57.16 2r80 h LEU 141 Cb 0.94 -0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.42 2r80 h LEU 141 CO 0.07 0.77 0.99 0.00 0.09 0.00 0.00 178.44 180.36 2r80 n ALA 142 N -2.40 5.53 -0.02 1.53 0.00 -0.63 -4.55 120.51 119.97 2r80 n ALA 142 Ca -0.01 -4.70 -0.05 0.00 0.00 0.00 0.00 53.44 48.69 2r80 n ALA 142 Cb 0.74 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 2r80 n ALA 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2r80 n ARG 143 N 1.05 0.10 0.00 0.00 1.74 -1.25 -4.60 116.66 113.70 2r80 n ARG 143 Ca 0.34 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 2r80 n ARG 143 Cb 0.31 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 2r80 n ARG 143 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2r80 n LYS 144 N -3.10 0.00 0.00 5.56 4.81 -1.26 -2.13 118.16 122.04 2r80 n LYS 144 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2r80 n LYS 144 Cb 0.57 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.19 2r80 n LYS 144 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2r80 n TYR 145 N -0.76 0.00 0.36 5.64 4.01 -1.26 -5.07 117.16 120.08 2r80 n TYR 145 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 2r80 n TYR 145 Cb 0.00 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 2r80 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12