#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a00 s HIS 2 N 0.00 2.29 -0.20 1.12 2.46 -1.26 -5.06 115.29 114.64 1a00 s HIS 2 Ca 0.00 -1.44 -0.07 0.00 0.47 0.00 0.00 55.06 54.02 1a00 s HIS 2 Cb 0.00 -1.60 -0.04 0.00 -0.13 0.00 0.00 32.58 30.81 1a00 s HIS 2 CO 0.00 -0.71 0.06 -0.51 -2.47 0.00 0.00 174.74 171.11 1a00 s LEU 3 N 1.44 3.69 0.87 8.88 1.43 -1.26 -5.09 118.68 128.63 1a00 s LEU 3 Ca 0.01 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 1a00 s LEU 3 Cb -0.15 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.24 1a00 s LEU 3 CO -0.09 0.13 1.09 0.42 0.23 0.00 0.00 176.35 178.13 1a00 s THR 4 N 0.65 2.80 0.42 5.49 -4.23 -1.26 -4.79 115.64 114.72 1a00 s THR 4 Ca 0.03 0.26 0.13 0.00 -1.18 0.00 0.00 61.69 60.92 1a00 s THR 4 Cb -0.13 -2.74 0.33 0.00 1.34 0.00 0.00 72.50 71.29 1a00 s THR 4 CO 0.02 -0.34 1.96 -0.65 -0.54 0.00 0.00 174.62 175.07 1a00 h PRO 5 N -1.46 0.46 -0.17 3.99 0.11 -2.00 -1.52 132.00 131.41 1a00 h PRO 5 Ca -0.48 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.39 1a00 h PRO 5 Cb 1.27 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.28 1a00 h PRO 5 CO 0.54 0.30 -0.72 0.93 -0.21 0.00 0.00 178.00 178.84 1a00 h GLU 6 N 0.47 0.73 -0.58 1.05 3.07 -1.99 -2.34 114.58 114.98 1a00 h GLU 6 Ca 0.30 -0.57 -0.04 0.00 -0.50 0.00 0.00 59.36 58.55 1a00 h GLU 6 Cb 0.55 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 1a00 h GLU 6 CO -0.09 1.18 0.20 0.93 -1.40 0.00 0.00 179.01 179.84 1a00 h GLU 7 N 0.52 0.89 -0.58 2.33 5.08 -1.64 -1.46 114.58 119.72 1a00 h GLU 7 Ca -0.03 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1a00 h GLU 7 Cb 1.33 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 1a00 h GLU 7 CO 0.15 0.79 0.32 0.87 -1.00 0.00 0.00 179.01 180.13 1a00 h LYS 8 N 0.81 0.59 -0.34 2.33 1.57 -1.42 0.11 116.57 120.22 1a00 h LYS 8 Ca 0.19 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1a00 h LYS 8 Cb 0.25 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1a00 h LYS 8 CO -0.01 0.39 0.17 0.77 -0.57 0.00 0.00 179.45 180.19 1a00 h SER 9 N 0.61 0.44 -0.65 0.86 0.02 -0.96 -1.86 113.55 112.00 1a00 h SER 9 Ca 0.25 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1a00 h SER 9 Cb 0.13 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1a00 h SER 9 CO -0.15 0.44 0.42 0.00 -1.14 0.00 0.00 176.83 176.39 1a00 h ALA 10 N 1.02 0.83 -0.35 3.77 0.00 -0.80 0.13 119.26 123.86 1a00 h ALA 10 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1a00 h ALA 10 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1a00 h ALA 10 CO -0.02 0.28 0.15 0.28 0.00 0.00 0.00 179.25 179.94 1a00 h VAL 11 N 0.88 1.17 -0.16 0.00 2.07 -0.61 -2.52 116.25 117.09 1a00 h VAL 11 Ca 0.24 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1a00 h VAL 11 Cb -0.07 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1a00 h VAL 11 CO -0.05 0.19 0.01 0.74 0.02 0.00 0.00 177.57 178.48 1a00 h THR 12 N 0.42 1.24 -0.34 2.57 2.02 -1.09 -2.06 112.91 115.68 1a00 h THR 12 Ca 0.12 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1a00 h THR 12 Cb 0.15 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1a00 h THR 12 CO -0.01 0.23 0.21 0.00 0.37 0.00 0.00 175.52 176.32 1a00 h ALA 13 N 0.79 0.43 -0.56 6.16 0.00 -0.98 -2.44 119.26 122.66 1a00 h ALA 13 Ca 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1a00 h ALA 13 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1a00 h ALA 13 CO 0.01 -0.09 -0.08 1.25 0.00 0.00 0.00 179.25 180.34 1a00 h LEU 14 N 0.44 1.03 -2.11 0.00 5.85 -1.44 -2.95 115.31 116.14 1a00 h LEU 14 Ca 0.12 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1a00 h LEU 14 Cb -0.02 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 1a00 h LEU 14 CO -0.02 1.12 -0.07 -0.25 -0.34 0.00 0.00 178.44 178.87 1a00 h TRP 15 N 0.92 0.00 0.00 1.25 2.91 -1.17 -1.60 115.95 118.27 1a00 h TRP 15 Ca 0.15 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1a00 h TRP 15 Cb 0.64 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 1a00 h TRP 15 CO 0.04 0.07 0.00 0.78 -1.03 0.00 0.00 178.44 178.30 1a00 h GLY 16 N 0.39 0.00 -1.06 2.65 0.00 -1.25 -2.15 103.07 101.65 1a00 h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a00 h GLY 16 CO 0.01 0.00 -0.25 0.28 0.00 0.00 0.00 176.54 176.58 1a00 n LYS 17 N -2.40 1.55 -3.00 4.80 5.02 -0.61 -4.96 118.16 118.56 1a00 n LYS 17 Ca 0.03 -1.21 -0.40 0.00 -2.02 0.00 0.00 58.31 54.71 1a00 n LYS 17 Cb 0.30 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1a00 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a00 s VAL 18 N -2.29 4.75 -0.58 -0.18 1.01 -0.81 -5.01 120.40 117.29 1a00 s VAL 18 Ca 0.24 1.59 -0.17 0.00 0.00 0.00 0.00 61.98 63.64 1a00 s VAL 18 Cb 0.19 -4.10 0.12 0.00 0.00 0.00 0.00 36.38 32.59 1a00 s VAL 18 CO 0.46 0.37 0.61 0.21 0.00 0.00 0.00 175.10 176.75 1a00 s ASN 19 N -0.05 6.22 0.23 3.32 2.47 -1.26 -4.93 114.94 120.94 1a00 s ASN 19 Ca 0.38 -1.67 -0.10 0.00 0.42 0.00 0.00 52.86 51.89 1a00 s ASN 19 Cb -0.20 -2.25 0.35 0.00 -1.45 0.00 0.00 41.25 37.69 1a00 s ASN 19 CO 0.22 -0.97 1.63 0.58 -3.72 0.00 0.00 177.10 174.84 1a00 h VAL 20 N 5.86 0.34 -0.13 -5.21 2.07 -1.95 0.94 116.25 118.17 1a00 h VAL 20 Ca -0.27 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1a00 h VAL 20 Cb 1.09 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1a00 h VAL 20 CO 1.06 0.01 -0.21 0.44 0.02 0.00 0.00 177.57 178.89 1a00 h ASP 21 N 0.05 -0.70 0.08 0.57 5.19 -1.92 0.98 116.42 120.68 1a00 h ASP 21 Ca 0.37 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.87 1a00 h ASP 21 Cb 0.61 0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 1a00 h ASP 21 CO -0.67 -0.16 -0.09 -0.08 -3.12 0.00 0.00 179.24 175.12 1a00 h GLU 22 N -0.17 -0.19 -0.28 3.56 4.81 -1.74 -1.77 114.58 118.80 1a00 h GLU 22 Ca 0.02 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 1a00 h GLU 22 Cb 0.23 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1a00 h GLU 22 CO -0.21 -0.12 -0.40 0.28 -0.73 0.00 0.00 179.01 177.82 1a00 h VAL 23 N -0.19 1.29 -0.03 0.32 2.07 -0.73 -2.08 116.25 116.90 1a00 h VAL 23 Ca 0.01 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 1a00 h VAL 23 Cb 0.19 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1a00 h VAL 23 CO -0.03 0.51 0.02 1.23 0.02 0.00 0.00 177.57 179.31 1a00 h GLY 24 N 0.98 0.04 1.35 2.17 0.00 0.12 0.12 103.07 107.85 1a00 h GLY 24 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1a00 h GLY 24 CO 0.08 0.02 -0.14 -1.33 0.00 0.00 0.00 176.54 175.17 1a00 h GLY 25 N 0.01 0.83 1.03 4.60 0.00 -1.29 -1.25 103.07 106.99 1a00 h GLY 25 Ca 0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 1a00 h GLY 25 CO -0.00 0.59 -0.14 0.83 0.00 0.00 0.00 176.54 177.82 1a00 h GLU 26 N 0.69 0.87 -0.05 4.80 4.39 -1.19 -0.93 114.58 123.15 1a00 h GLU 26 Ca 0.11 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 1a00 h GLU 26 Cb 0.63 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1a00 h GLU 26 CO 0.04 0.99 -0.05 0.00 -1.16 0.00 0.00 179.01 178.83 1a00 h ALA 27 N 0.85 0.07 -0.81 3.43 0.00 -0.84 -1.64 119.26 120.33 1a00 h ALA 27 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1a00 h ALA 27 Cb 0.69 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1a00 h ALA 27 CO 0.05 -0.14 0.46 1.25 0.00 0.00 0.00 179.25 180.87 1a00 h LEU 28 N -0.33 1.01 -0.61 0.00 5.85 -1.28 -1.96 115.31 117.98 1a00 h LEU 28 Ca 0.01 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 1a00 h LEU 28 Cb 0.55 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1a00 h LEU 28 CO 0.01 0.80 -0.12 1.23 -0.34 0.00 0.00 178.44 180.03 1a00 h GLY 29 N 1.13 1.06 1.30 3.75 0.00 -1.18 -2.65 103.07 106.48 1a00 h GLY 29 Ca 0.29 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1a00 h GLY 29 CO -0.05 0.78 -0.08 3.21 0.00 0.00 0.00 176.54 180.40 1a00 h ARG 30 N 0.87 0.84 -0.35 4.80 3.08 -1.12 -1.64 114.38 120.86 1a00 h ARG 30 Ca 0.14 -0.27 0.06 0.00 0.07 0.00 0.00 59.98 59.98 1a00 h ARG 30 Cb 0.67 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 1a00 h ARG 30 CO 0.05 0.89 -0.02 1.25 -1.07 0.00 0.00 179.97 181.06 1a00 h LEU 31 N 0.76 -0.19 -1.53 3.04 5.85 -1.16 0.28 115.31 122.37 1a00 h LEU 31 Ca 0.13 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1a00 h LEU 31 Cb 0.57 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1a00 h LEU 31 CO 0.03 -0.06 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.76 1a00 h LEU 32 N 0.07 0.00 0.01 2.25 4.07 -1.11 -0.35 115.31 120.25 1a00 h LEU 32 Ca 0.17 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.99 1a00 h LEU 32 Cb 0.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1a00 h LEU 32 CO -0.30 0.25 -0.77 0.58 -1.08 0.00 0.00 178.44 177.11 1a00 h VAL 33 N 0.00 1.27 -0.02 1.22 2.07 -0.53 -3.28 116.25 116.98 1a00 h VAL 33 Ca -0.00 -2.26 -0.19 0.00 0.82 0.00 0.00 66.70 65.07 1a00 h VAL 33 Cb 0.48 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1a00 h VAL 33 CO 0.03 0.45 -0.81 0.58 0.02 0.00 0.00 177.57 177.83 1a00 h VAL 34 N -0.97 1.45 -2.39 2.57 2.07 -0.41 -3.37 116.25 115.21 1a00 h VAL 34 Ca -0.21 -2.43 -0.59 0.00 0.82 0.00 0.00 66.70 64.29 1a00 h VAL 34 Cb 1.21 2.33 -0.40 0.00 -1.52 0.00 0.00 31.29 32.90 1a00 h VAL 34 CO -0.12 0.71 -0.79 -1.22 0.02 0.00 0.00 177.57 176.18 1a00 n TYR 35 N -3.73 1.68 0.24 1.57 4.01 -0.15 -4.97 117.16 115.82 1a00 n TYR 35 Ca -0.04 -3.88 0.18 0.00 -0.16 0.00 0.00 57.90 54.00 1a00 n TYR 35 Cb 0.76 -0.37 0.83 0.00 -0.31 0.00 0.00 39.34 40.25 1a00 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a00 h PRO 36 N 4.69 0.00 0.00 -0.72 0.13 -1.73 -0.02 132.00 134.35 1a00 h PRO 36 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 1a00 h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1a00 h PRO 36 CO 0.63 0.00 -0.12 0.10 -0.23 0.00 0.00 178.00 178.37 1a00 h TYR 37 N 0.00 0.00 0.00 1.56 -0.00 -1.91 -1.68 116.97 114.94 1a00 h TYR 37 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.81 1a00 h TYR 37 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.45 1a00 h TYR 37 CO 0.00 0.12 0.00 0.25 -0.00 0.00 0.00 178.16 178.53 1a00 n THR 38 N -3.56 1.37 0.48 -0.90 -2.24 -0.02 -2.06 114.28 107.36 1a00 n THR 38 Ca -0.01 0.34 0.10 0.00 -2.27 0.00 0.00 64.05 62.21 1a00 n THR 38 Cb 0.26 -1.21 0.41 0.00 -2.10 0.00 0.00 70.33 67.69 1a00 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a00 n GLN 39 N -1.47 0.09 0.06 -0.78 6.02 -0.63 -3.28 117.38 117.39 1a00 n GLN 39 Ca 0.02 0.31 0.20 0.00 -0.01 0.00 0.00 57.00 57.52 1a00 n GLN 39 Cb 0.09 -1.67 0.73 0.00 1.02 0.00 0.00 30.24 30.41 1a00 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1a00 h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.63 0.06 114.38 111.83 1a00 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a00 h ARG 40 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1a00 h ARG 40 CO 0.00 0.00 -0.47 1.19 0.10 0.00 0.00 179.97 180.79 1a00 n PHE 41 N -4.09 0.01 -2.34 4.08 3.72 -1.20 -4.48 117.46 113.15 1a00 n PHE 41 Ca 0.08 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.30 1a00 n PHE 41 Cb 0.57 -0.27 0.02 0.00 -0.94 0.00 0.00 39.48 38.86 1a00 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a00 n PHE 42 N -1.51 2.39 -0.02 1.38 3.72 0.01 -4.83 117.46 118.59 1a00 n PHE 42 Ca 0.06 -2.39 0.03 0.00 -0.05 0.00 0.00 57.45 55.10 1a00 n PHE 42 Cb 0.34 -0.27 0.39 0.00 -0.94 0.00 0.00 39.48 38.99 1a00 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1a00 h GLU 43 N 2.41 0.58 0.00 -1.08 4.39 -1.78 -1.89 114.58 117.20 1a00 h GLU 43 Ca 0.20 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1a00 h GLU 43 Cb 1.35 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1a00 h GLU 43 CO 0.62 0.41 0.00 -1.13 -1.16 0.00 0.00 179.01 177.75 1a00 n SER 44 N -4.44 0.00 0.23 1.42 3.41 -1.26 -3.06 113.62 109.91 1a00 n SER 44 Ca 0.03 -0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.69 1a00 n SER 44 Cb 0.08 -0.28 0.38 0.00 -0.26 0.00 0.00 64.21 64.13 1a00 n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1a00 h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.73 -3.49 116.94 118.04 1a00 h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1a00 h PHE 45 Cb 0.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1a00 h PHE 45 CO 0.00 0.11 0.00 0.41 -1.61 0.00 0.00 178.31 177.22 1a00 n GLY 46 N 0.57 0.45 3.64 -1.45 0.00 -1.17 -4.82 105.19 102.41 1a00 n GLY 46 Ca 0.02 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1a00 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a00 s ASP 47 N -4.00 6.90 -0.14 1.61 2.15 -1.26 -4.87 116.67 117.05 1a00 s ASP 47 Ca 0.00 1.03 0.16 0.00 0.43 0.00 0.00 52.55 54.17 1a00 s ASP 47 Cb 0.00 -2.50 0.32 0.00 -0.30 0.00 0.00 42.92 40.43 1a00 s ASP 47 CO 0.00 -0.74 1.16 0.18 -0.17 0.00 0.00 175.17 175.60 1a00 n LEU 48 N 6.53 2.29 0.25 -1.34 4.77 -1.26 -4.48 117.00 123.76 1a00 n LEU 48 Ca 0.10 -3.19 0.13 0.00 -0.03 0.00 0.00 56.01 53.02 1a00 n LEU 48 Cb 0.47 -0.43 0.60 0.00 -2.33 0.00 0.00 43.42 41.74 1a00 n LEU 48 CO 0.55 0.88 0.91 0.77 -1.33 0.00 0.00 177.39 179.17 1a00 h SER 49 N 0.31 0.00 -4.14 -1.43 4.64 -1.94 -3.43 113.55 107.55 1a00 h SER 49 Ca -0.01 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.92 1a00 h SER 49 Cb 1.04 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.95 1a00 h SER 49 CO 0.00 0.12 -0.75 0.42 -0.87 0.00 0.00 176.83 175.75 1a00 s THR 50 N -3.76 1.23 0.26 2.95 -4.23 -1.26 -5.01 115.64 105.82 1a00 s THR 50 Ca 0.00 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1a00 s THR 50 Cb 0.10 -1.47 0.24 0.00 1.34 0.00 0.00 72.50 72.71 1a00 s THR 50 CO 0.59 -0.44 1.80 -0.65 -0.54 0.00 0.00 174.62 175.38 1a00 h PRO 51 N 3.57 0.75 -0.41 3.99 0.11 -1.97 0.13 132.00 138.17 1a00 h PRO 51 Ca -0.39 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1a00 h PRO 51 Cb 1.19 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1a00 h PRO 51 CO 0.50 0.49 0.18 -0.44 -0.21 0.00 0.00 178.00 178.53 1a00 h ASP 52 N 0.77 0.54 -0.38 -2.05 3.32 -1.97 0.63 116.42 117.27 1a00 h ASP 52 Ca 0.44 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.37 1a00 h ASP 52 Cb 0.50 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1a00 h ASP 52 CO -0.29 0.53 0.21 0.00 -1.72 0.00 0.00 179.24 177.97 1a00 h ALA 53 N 1.03 0.48 0.33 3.45 0.00 -1.29 -1.87 119.26 121.39 1a00 h ALA 53 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1a00 h ALA 53 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a00 h ALA 53 CO -0.02 -0.14 -0.16 0.28 0.00 0.00 0.00 179.25 179.22 1a00 h VAL 54 N 0.43 0.69 0.00 0.00 2.07 -0.57 -2.74 116.25 116.13 1a00 h VAL 54 Ca 0.16 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1a00 h VAL 54 Cb 0.03 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1a00 h VAL 54 CO -0.09 0.08 -0.13 0.24 0.02 0.00 0.00 177.57 177.69 1a00 h MET 55 N -0.66 0.00 -0.20 1.57 2.07 -0.85 -2.55 114.93 114.31 1a00 h MET 55 Ca -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1a00 h MET 55 Cb 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.20 1a00 h MET 55 CO 0.07 0.13 0.00 0.41 1.07 0.00 0.00 176.91 178.59 1a00 n GLY 56 N -1.14 1.32 3.71 8.32 0.00 -0.71 -4.92 105.19 111.78 1a00 n GLY 56 Ca -0.03 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1a00 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a00 s ASN 57 N -1.76 7.02 0.28 1.61 3.84 -0.96 -4.91 114.94 120.07 1a00 s ASN 57 Ca 0.33 2.10 0.15 0.00 0.21 0.00 0.00 52.86 55.65 1a00 s ASN 57 Cb 0.21 -2.58 0.14 0.00 -0.55 0.00 0.00 41.25 38.48 1a00 s ASN 57 CO 0.31 -0.50 1.48 -0.65 -2.79 0.00 0.00 177.10 174.94 1a00 h PRO 58 N 6.71 0.00 -0.39 0.43 0.11 -1.91 -2.32 132.00 134.63 1a00 h PRO 58 Ca -0.42 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 1a00 h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1a00 h PRO 58 CO 0.82 0.52 -0.18 0.87 -0.21 0.00 0.00 178.00 179.81 1a00 h LYS 59 N 0.00 0.81 -0.70 1.05 1.57 -1.91 0.43 116.57 117.82 1a00 h LYS 59 Ca -0.01 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1a00 h LYS 59 Cb 1.34 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1a00 h LYS 59 CO 0.07 0.98 0.25 0.28 -0.57 0.00 0.00 179.45 180.46 1a00 h VAL 60 N 0.61 1.25 -0.18 0.50 2.07 -1.85 -0.47 116.25 118.18 1a00 h VAL 60 Ca 0.09 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1a00 h VAL 60 Cb 0.73 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1a00 h VAL 60 CO 0.06 0.32 -0.02 0.11 0.02 0.00 0.00 177.57 178.06 1a00 h LYS 61 N 1.03 0.33 -0.61 1.57 1.57 -1.16 -1.45 116.57 117.85 1a00 h LYS 61 Ca 0.23 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1a00 h LYS 61 Cb 0.24 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1a00 h LYS 61 CO -0.01 0.57 0.29 0.00 -0.57 0.00 0.00 179.45 179.72 1a00 h ALA 62 N 0.75 0.79 -0.65 3.86 0.00 -0.73 -2.35 119.26 120.93 1a00 h ALA 62 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1a00 h ALA 62 Cb 0.43 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1a00 h ALA 62 CO 0.01 0.36 0.14 1.25 0.00 0.00 0.00 179.25 181.02 1a00 h HIS 63 N 0.84 1.12 -0.80 0.00 -0.00 -1.04 -2.27 115.15 113.00 1a00 h HIS 63 Ca 0.21 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1a00 h HIS 63 Cb 0.13 -0.31 -0.04 0.00 -0.00 0.00 0.00 27.41 27.19 1a00 h HIS 63 CO 0.00 0.93 0.49 0.78 -0.00 0.00 0.00 177.93 180.13 1a00 h GLY 64 N 0.98 1.16 0.97 5.26 0.00 -1.07 -0.11 103.07 110.26 1a00 h GLY 64 Ca 0.20 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1a00 h GLY 64 CO 0.01 0.46 0.12 0.50 0.00 0.00 0.00 176.54 177.62 1a00 h LYS 65 N 1.10 0.26 0.01 4.80 1.57 -1.11 -1.03 116.57 122.17 1a00 h LYS 65 Ca 0.29 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1a00 h LYS 65 Cb -0.05 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1a00 h LYS 65 CO -0.05 0.21 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.81 1a00 h LYS 66 N 0.23 -0.01 0.11 3.15 3.64 -0.83 -0.50 116.57 122.36 1a00 h LYS 66 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1a00 h LYS 66 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1a00 h LYS 66 CO -0.01 0.08 -0.05 0.28 -2.27 0.00 0.00 179.45 177.48 1a00 h VAL 67 N -0.10 0.94 0.00 2.00 2.07 -1.01 -2.77 116.25 117.38 1a00 h VAL 67 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1a00 h VAL 67 Cb 0.10 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1a00 h VAL 67 CO 0.00 0.04 0.00 0.25 0.02 0.00 0.00 177.57 177.88 1a00 h LEU 68 N -0.22 0.00 -0.29 2.57 5.85 -1.18 -1.98 115.31 120.05 1a00 h LEU 68 Ca -0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1a00 h LEU 68 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1a00 h LEU 68 CO 0.02 0.00 0.08 1.23 -0.34 0.00 0.00 178.44 179.44 1a00 h GLY 69 N 2.68 0.50 1.15 3.75 0.00 -0.81 -0.76 103.07 109.58 1a00 h GLY 69 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 1a00 h GLY 69 CO 0.00 0.28 -0.31 0.00 0.00 0.00 0.00 176.54 176.51 1a00 h ALA 70 N 0.91 0.65 0.04 3.60 0.00 -1.22 -1.89 119.26 121.34 1a00 h ALA 70 Ca 0.09 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1a00 h ALA 70 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1a00 h ALA 70 CO -0.00 0.68 -0.17 0.35 0.00 0.00 0.00 179.25 180.11 1a00 h PHE 71 N 0.79 -0.44 -0.98 0.00 3.04 -1.27 -2.31 116.94 115.78 1a00 h PHE 71 Ca 0.08 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.15 1a00 h PHE 71 Cb 0.89 0.19 -0.08 0.00 2.56 0.00 0.00 35.95 39.51 1a00 h PHE 71 CO 0.06 -0.25 0.63 1.03 -2.02 0.00 0.00 178.31 177.76 1a00 h SER 72 N -0.29 0.93 0.32 0.41 0.87 -0.83 -1.49 113.55 113.46 1a00 h SER 72 Ca 0.04 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 1a00 h SER 72 Cb 0.34 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1a00 h SER 72 CO -0.13 0.53 -0.42 0.44 -0.53 0.00 0.00 176.83 176.72 1a00 h ASP 73 N 1.01 0.13 0.14 6.23 3.32 -0.85 -2.77 116.42 123.63 1a00 h ASP 73 Ca 0.47 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.37 1a00 h ASP 73 Cb 0.40 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1a00 h ASP 73 CO -0.22 0.54 -0.33 1.23 -1.72 0.00 0.00 179.24 178.74 1a00 h GLY 74 N 1.25 0.30 2.00 2.75 0.00 -0.75 -2.58 103.07 106.04 1a00 h GLY 74 Ca 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1a00 h GLY 74 CO 0.06 0.23 -0.02 1.41 0.00 0.00 0.00 176.54 178.22 1a00 h LEU 75 N 0.24 0.00 -0.53 3.11 3.38 -1.25 0.89 115.31 121.16 1a00 h LEU 75 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1a00 h LEU 75 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1a00 h LEU 75 CO 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 178.44 178.57 1a00 h ALA 76 N 1.98 0.99 -1.03 1.53 0.00 -1.52 -3.35 119.26 117.86 1a00 h ALA 76 Ca -0.00 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.43 1a00 h ALA 76 Cb 0.06 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.43 1a00 h ALA 76 CO 0.00 0.04 -0.95 0.72 0.00 0.00 0.00 179.25 179.06 1a00 n HIS 77 N -3.11 2.26 0.16 0.00 8.25 0.28 -4.90 115.22 118.16 1a00 n HIS 77 Ca 0.03 -2.68 0.09 0.00 -0.26 0.00 0.00 57.72 54.90 1a00 n HIS 77 Cb 0.46 -0.24 0.50 0.00 1.12 0.00 0.00 29.99 31.82 1a00 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a00 n LEU 78 N -0.42 0.47 0.19 2.41 4.77 -1.08 -1.52 117.00 121.82 1a00 n LEU 78 Ca 0.26 0.68 0.09 0.00 -0.03 0.00 0.00 56.01 57.01 1a00 n LEU 78 Cb 0.79 -0.70 0.12 0.00 -2.33 0.00 0.00 43.42 41.30 1a00 n LEU 78 CO 0.28 -0.84 0.67 0.44 -1.33 0.00 0.00 177.39 176.61 1a00 h ASP 79 N 0.00 0.00 -1.41 -1.43 3.32 -1.90 -3.39 116.42 111.61 1a00 h ASP 79 Ca 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 1a00 h ASP 79 Cb 0.23 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.46 1a00 h ASP 79 CO 0.00 0.14 -0.94 -3.20 -1.72 0.00 0.00 179.24 173.52 1a00 n ASN 80 N -3.11 -0.53 -0.12 6.45 5.15 -0.57 -4.96 115.26 117.57 1a00 n ASN 80 Ca 0.03 -2.98 -0.11 0.00 -0.60 0.00 0.00 54.58 50.91 1a00 n ASN 80 Cb 0.59 0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.91 1a00 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1a00 h LEU 81 N 3.67 0.66 0.20 1.20 3.38 -1.75 -1.52 115.31 121.15 1a00 h LEU 81 Ca 0.02 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1a00 h LEU 81 Cb 0.95 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1a00 h LEU 81 CO 0.41 0.86 -0.28 0.11 0.09 0.00 0.00 178.44 179.63 1a00 h LYS 82 N 0.44 -0.53 -0.65 1.13 1.57 -1.91 0.33 116.57 116.96 1a00 h LYS 82 Ca 0.09 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1a00 h LYS 82 Cb 0.57 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1a00 h LYS 82 CO 0.03 -0.35 0.17 0.78 -0.57 0.00 0.00 179.45 179.51 1a00 h GLY 83 N -0.55 1.11 1.22 3.86 0.00 -1.95 0.20 103.07 106.96 1a00 h GLY 83 Ca 0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 1a00 h GLY 83 CO -0.11 0.64 0.25 -0.84 0.00 0.00 0.00 176.54 176.48 1a00 h THR 84 N 0.96 1.24 -0.04 4.70 2.02 -0.92 -3.12 112.91 117.74 1a00 h THR 84 Ca 0.20 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1a00 h THR 84 Cb 0.35 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1a00 h THR 84 CO 0.00 0.30 0.00 0.49 0.37 0.00 0.00 175.52 176.68 1a00 n PHE 85 N -4.29 0.02 -0.19 3.16 3.72 0.11 -4.63 117.46 115.37 1a00 n PHE 85 Ca 0.06 -0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.41 1a00 n PHE 85 Cb 0.19 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1a00 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a00 h ALA 86 N 4.65 0.12 -0.75 4.37 0.00 -0.89 0.19 119.26 126.95 1a00 h ALA 86 Ca 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1a00 h ALA 86 Cb 0.93 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1a00 h ALA 86 CO 0.00 -0.58 0.24 1.15 0.00 0.00 0.00 179.25 180.06 1a00 h THR 87 N -0.12 1.26 -0.16 0.00 2.02 -1.82 -1.31 112.91 112.79 1a00 h THR 87 Ca 0.25 -0.90 -0.10 0.00 0.77 0.00 0.00 66.41 66.43 1a00 h THR 87 Cb 0.51 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1a00 h THR 87 CO -0.64 0.35 -0.35 -0.07 0.37 0.00 0.00 175.52 175.18 1a00 h LEU 88 N 1.11 0.34 -0.13 2.58 3.38 -1.71 -1.53 115.31 119.35 1a00 h LEU 88 Ca 0.24 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1a00 h LEU 88 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1a00 h LEU 88 CO -0.01 0.67 0.05 -1.28 0.09 0.00 0.00 178.44 177.96 1a00 h SER 89 N 0.28 0.19 -0.05 -0.43 0.87 -0.25 -0.50 113.55 113.66 1a00 h SER 89 Ca 0.03 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.31 1a00 h SER 89 Cb 0.76 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1a00 h SER 89 CO 0.06 0.31 -0.29 -0.33 -0.53 0.00 0.00 176.83 176.06 1a00 h GLU 90 N 0.05 0.51 -0.08 2.24 5.08 -1.04 -2.71 114.58 118.62 1a00 h GLU 90 Ca 0.04 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1a00 h GLU 90 Cb 0.19 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1a00 h GLU 90 CO -0.00 0.74 0.04 1.25 -1.00 0.00 0.00 179.01 180.04 1a00 h LEU 91 N 0.44 0.10 -0.98 1.33 5.85 -1.10 -0.52 115.31 120.44 1a00 h LEU 91 Ca 0.06 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1a00 h LEU 91 Cb 0.73 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 1a00 h LEU 91 CO 0.06 0.20 0.63 0.45 -0.34 0.00 0.00 178.44 179.43 1a00 h HIS 92 N -0.00 1.16 0.21 1.25 3.86 -1.00 0.02 115.15 120.65 1a00 h HIS 92 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1a00 h HIS 92 Cb 0.12 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1a00 h HIS 92 CO -0.03 0.61 -0.10 0.00 0.86 0.00 0.00 177.93 179.27 1a00 h ASP 94 N -0.91 0.39 0.00 0.00 3.32 -1.15 -3.11 116.42 114.96 1a00 h ASP 94 Ca -0.03 -0.31 -0.35 0.00 0.02 0.00 0.00 57.03 56.36 1a00 h ASP 94 Cb 0.22 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 1a00 h ASP 94 CO 0.05 1.11 -2.23 0.29 -1.72 0.00 0.00 179.24 176.73 1a00 n LYS 95 N -3.71 0.50 0.05 3.56 4.76 -0.17 -4.72 118.16 118.43 1a00 n LYS 95 Ca -0.05 0.17 -0.04 0.00 -2.87 0.00 0.00 58.31 55.52 1a00 n LYS 95 Cb 0.81 -1.36 -0.08 0.00 -1.84 0.00 0.00 35.03 32.56 1a00 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1a00 h LEU 96 N -0.42 0.00 -1.48 -0.35 3.38 -1.09 -3.49 115.31 111.86 1a00 h LEU 96 Ca -0.52 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.09 1a00 h LEU 96 Cb 1.61 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.50 1a00 h LEU 96 CO -0.22 0.79 -0.76 1.41 0.09 0.00 0.00 178.44 179.75 1a00 n HIS 97 N -3.14 -2.30 -3.34 1.13 8.25 0.16 -4.97 115.22 111.01 1a00 n HIS 97 Ca -0.06 0.94 -0.40 0.00 -0.26 0.00 0.00 57.72 57.94 1a00 n HIS 97 Cb 0.90 -4.96 -0.09 0.00 1.12 0.00 0.00 29.99 26.96 1a00 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1a00 s VAL 98 N -3.39 5.12 0.05 1.59 1.01 -0.70 -5.03 120.40 119.07 1a00 s VAL 98 Ca 0.14 0.38 -0.31 0.00 0.00 0.00 0.00 61.98 62.19 1a00 s VAL 98 Cb -0.06 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 1a00 s VAL 98 CO 0.74 -0.02 1.91 -0.67 0.00 0.00 0.00 175.10 177.06 1a00 n ASP 99 N 5.47 4.00 0.23 3.32 2.03 -1.26 -4.76 116.55 125.57 1a00 n ASP 99 Ca -0.07 0.95 0.11 0.00 0.52 0.00 0.00 54.79 56.30 1a00 n ASP 99 Cb 0.50 -1.51 0.61 0.00 -0.72 0.00 0.00 41.12 40.00 1a00 n ASP 99 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1a00 h PRO 100 N 9.57 0.00 -0.44 -0.67 0.11 -1.96 -0.93 132.00 137.67 1a00 h PRO 100 Ca -0.48 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.69 1a00 h PRO 100 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1a00 h PRO 100 CO 0.94 0.00 0.30 1.49 -0.21 0.00 0.00 178.00 180.52 1a00 h GLU 101 N 0.00 0.35 -0.07 1.05 4.57 -1.99 -1.43 114.58 117.06 1a00 h GLU 101 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1a00 h GLU 101 Cb 0.44 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1a00 h GLU 101 CO 0.00 0.23 0.05 -0.91 -1.18 0.00 0.00 179.01 177.20 1a00 h ASN 102 N 0.36 0.00 0.17 1.04 2.35 -1.53 -1.81 115.58 116.16 1a00 h ASN 102 Ca 0.19 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 1a00 h ASN 102 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1a00 h ASN 102 CO -0.05 0.00 -0.39 -0.26 -1.65 0.00 0.00 177.43 175.08 1a00 h PHE 103 N 0.00 0.35 -0.39 1.19 0.04 -1.45 -0.08 116.94 116.60 1a00 h PHE 103 Ca 0.03 -0.09 -0.15 0.00 2.80 0.00 0.00 57.97 60.56 1a00 h PHE 103 Cb 0.14 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1a00 h PHE 103 CO 0.00 0.66 -0.33 0.00 -0.60 0.00 0.00 178.31 178.04 1a00 h ARG 104 N 0.25 0.91 -0.20 1.51 3.08 -1.40 -1.90 114.38 116.64 1a00 h ARG 104 Ca 0.03 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 1a00 h ARG 104 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1a00 h ARG 104 CO 0.06 1.11 0.03 -0.07 -1.07 0.00 0.00 179.97 180.03 1a00 h LEU 105 N 0.73 0.31 -0.97 3.04 3.38 -1.19 -1.70 115.31 118.91 1a00 h LEU 105 Ca 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1a00 h LEU 105 Cb 0.91 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1a00 h LEU 105 CO 0.08 0.50 0.39 0.25 0.09 0.00 0.00 178.44 179.75 1a00 h LEU 106 N 0.12 1.01 -0.69 1.67 5.85 -1.01 -1.56 115.31 120.69 1a00 h LEU 106 Ca 0.06 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1a00 h LEU 106 Cb 0.32 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1a00 h LEU 106 CO 0.00 0.85 0.44 1.23 -0.34 0.00 0.00 178.44 180.63 1a00 h GLY 107 N 1.15 0.99 1.26 3.75 0.00 -1.07 -0.28 103.07 108.86 1a00 h GLY 107 Ca 0.27 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 1a00 h GLY 107 CO -0.04 0.38 -0.31 3.43 0.00 0.00 0.00 176.54 180.00 1a00 h ASN 108 N 0.94 0.87 -0.64 0.19 2.35 -0.75 -1.89 115.58 116.65 1a00 h ASN 108 Ca 0.25 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1a00 h ASN 108 Cb -0.08 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 1a00 h ASN 108 CO -0.05 1.11 0.13 0.58 -1.65 0.00 0.00 177.43 177.54 1a00 h VAL 109 N 0.70 1.26 -0.02 2.81 2.07 -1.07 -2.55 116.25 119.45 1a00 h VAL 109 Ca 0.08 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1a00 h VAL 109 Cb 0.86 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1a00 h VAL 109 CO 0.08 0.37 -0.05 0.25 0.02 0.00 0.00 177.57 178.24 1a00 h LEU 110 N 0.97 -0.13 -0.61 2.57 5.85 -0.83 0.12 115.31 123.24 1a00 h LEU 110 Ca 0.20 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1a00 h LEU 110 Cb 0.40 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1a00 h LEU 110 CO 0.01 -0.07 0.18 0.58 -0.34 0.00 0.00 178.44 178.80 1a00 h VAL 111 N -0.07 0.69 -0.77 1.05 2.07 -1.22 -0.77 116.25 117.23 1a00 h VAL 111 Ca 0.03 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1a00 h VAL 111 Cb 0.11 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 1a00 h VAL 111 CO -0.06 0.06 0.46 0.00 0.02 0.00 0.00 177.57 178.05 1a00 h VAL 113 N 0.85 1.27 -0.11 0.00 2.07 0.48 -1.81 116.25 119.01 1a00 h VAL 113 Ca 0.33 -1.29 -0.14 0.00 0.82 0.00 0.00 66.70 66.42 1a00 h VAL 113 Cb 0.15 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1a00 h VAL 113 CO -0.16 0.42 -0.55 -0.07 0.02 0.00 0.00 177.57 177.23 1a00 h LEU 114 N 0.59 0.37 -0.29 2.57 3.38 -0.92 -1.89 115.31 119.12 1a00 h LEU 114 Ca 0.09 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1a00 h LEU 114 Cb 0.69 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1a00 h LEU 114 CO 0.05 0.84 -0.12 0.00 0.09 0.00 0.00 178.44 179.30 1a00 h ALA 115 N 1.16 0.40 -0.30 1.53 0.00 -1.10 -1.50 119.26 119.45 1a00 h ALA 115 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.66 1a00 h ALA 115 Cb 1.05 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1a00 h ALA 115 CO 0.09 0.27 -0.10 1.25 0.00 0.00 0.00 179.25 180.76 1a00 h HIS 116 N 0.34 -0.23 -0.01 0.00 -0.00 -1.25 0.16 115.15 114.16 1a00 h HIS 116 Ca 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1a00 h HIS 116 Cb 0.63 0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 28.19 1a00 h HIS 116 CO 0.06 -0.16 -0.00 1.25 -0.00 0.00 0.00 177.93 179.07 1a00 h HIS 117 N -0.04 0.03 0.00 5.26 6.17 -1.27 -3.34 115.15 121.97 1a00 h HIS 117 Ca 0.15 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.22 1a00 h HIS 117 Cb 0.26 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.19 1a00 h HIS 117 CO -0.31 0.40 -0.94 1.19 0.71 0.00 0.00 177.93 178.99 1a00 n PHE 118 N -4.89 0.64 0.00 5.26 3.72 -0.57 -5.04 117.46 116.58 1a00 n PHE 118 Ca -0.08 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1a00 n PHE 118 Cb 0.21 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 1a00 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a00 n GLY 119 N 1.28 3.65 0.28 1.37 0.00 0.57 -2.66 105.19 109.68 1a00 n GLY 119 Ca 0.01 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1a00 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a00 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -1.33 116.57 116.99 1a00 h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1a00 h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1a00 h LYS 120 CO 0.00 0.04 0.00 0.93 -2.00 0.00 0.00 179.45 178.42 1a00 h GLU 121 N 0.00 0.00 -3.52 0.07 5.08 -1.90 -3.33 114.58 110.97 1a00 h GLU 121 Ca -0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 1a00 h GLU 121 Cb 0.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 1a00 h GLU 121 CO 0.01 0.00 2.52 0.34 -1.00 0.00 0.00 179.01 180.88 1a00 n PHE 122 N -2.78 3.03 -1.42 4.33 7.35 -0.50 -4.92 117.46 122.55 1a00 n PHE 122 Ca 0.01 -2.87 -0.31 0.00 -0.76 0.00 0.00 57.45 53.53 1a00 n PHE 122 Cb 0.29 -2.15 0.07 0.00 0.35 0.00 0.00 39.48 38.04 1a00 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a00 s THR 123 N 1.17 3.59 0.22 -2.13 -4.23 -1.25 -4.70 115.64 108.31 1a00 s THR 123 Ca 0.45 0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 61.35 1a00 s THR 123 Cb 0.12 -3.11 0.24 0.00 1.34 0.00 0.00 72.50 71.09 1a00 s THR 123 CO -0.04 -0.66 1.61 -0.65 -0.54 0.00 0.00 174.62 174.34 1a00 h PRO 124 N -0.88 -0.04 -0.67 3.99 0.11 -1.94 0.18 132.00 132.75 1a00 h PRO 124 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1a00 h PRO 124 Cb 1.22 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1a00 h PRO 124 CO 0.54 -0.02 0.39 -1.35 -0.21 0.00 0.00 178.00 177.35 1a00 h PRO 125 N -0.04 0.92 -0.37 1.05 0.11 -1.99 0.37 132.00 132.05 1a00 h PRO 125 Ca 0.31 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 66.20 1a00 h PRO 125 Cb 0.52 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1a00 h PRO 125 CO -0.72 0.65 -0.32 0.28 -0.21 0.00 0.00 178.00 177.68 1a00 h VAL 126 N 0.93 1.28 -0.11 3.15 2.07 -1.09 -2.72 116.25 119.76 1a00 h VAL 126 Ca 0.24 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1a00 h VAL 126 Cb -0.02 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1a00 h VAL 126 CO -0.04 0.49 0.06 -0.61 0.02 0.00 0.00 177.57 177.49 1a00 h GLN 127 N 0.67 0.15 -0.72 1.57 4.15 -0.52 -0.35 115.11 120.05 1a00 h GLN 127 Ca 0.06 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.61 1a00 h GLN 127 Cb 0.91 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.47 1a00 h GLN 127 CO 0.08 0.16 0.25 0.00 -1.93 0.00 0.00 178.83 177.39 1a00 h ALA 128 N 0.98 0.98 -0.43 3.38 0.00 -0.84 0.27 119.26 123.61 1a00 h ALA 128 Ca 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1a00 h ALA 128 Cb 0.05 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1a00 h ALA 128 CO -0.01 -0.25 0.10 0.00 0.00 0.00 0.00 179.25 179.10 1a00 h ALA 129 N 1.54 0.57 -0.05 0.00 0.00 -1.28 -2.20 119.26 117.84 1a00 h ALA 129 Ca 0.40 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1a00 h ALA 129 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1a00 h ALA 129 CO -0.42 0.26 -0.40 1.88 0.00 0.00 0.00 179.25 180.57 1a00 h TYR 130 N 0.56 0.11 -0.61 0.00 0.05 0.50 -2.24 116.97 115.34 1a00 h TYR 130 Ca 0.13 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 1a00 h TYR 130 Cb 0.33 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 1a00 h TYR 130 CO 0.02 0.49 0.31 1.96 -1.05 0.00 0.00 178.16 179.89 1a00 h GLN 131 N 0.09 0.87 -0.78 4.88 1.08 -0.30 -0.23 115.11 120.71 1a00 h GLN 131 Ca 0.01 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1a00 h GLN 131 Cb 0.75 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 1a00 h GLN 131 CO 0.06 0.69 0.37 0.87 -0.95 0.00 0.00 178.83 179.86 1a00 h LYS 132 N 0.84 1.13 -0.15 1.46 1.57 -0.98 -2.69 116.57 117.76 1a00 h LYS 132 Ca 0.21 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1a00 h LYS 132 Cb 0.09 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1a00 h LYS 132 CO -0.03 0.88 -0.03 0.28 -0.57 0.00 0.00 179.45 179.99 1a00 h VAL 133 N 1.11 1.28 -0.11 0.50 2.07 -0.89 -1.79 116.25 118.42 1a00 h VAL 133 Ca 0.27 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1a00 h VAL 133 Cb 0.13 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1a00 h VAL 133 CO -0.03 0.28 -0.17 -0.37 0.02 0.00 0.00 177.57 177.30 1a00 h VAL 134 N -0.02 1.18 -0.41 2.57 -1.51 -1.01 -1.30 116.25 115.75 1a00 h VAL 134 Ca 0.04 -0.84 -0.11 0.00 -1.23 0.00 0.00 66.70 64.56 1a00 h VAL 134 Cb 0.45 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 1a00 h VAL 134 CO 0.01 0.25 -0.17 0.00 -1.23 0.00 0.00 177.57 176.44 1a00 h ALA 135 N 1.66 0.57 -0.32 5.19 0.00 -1.47 -0.60 119.26 124.27 1a00 h ALA 135 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1a00 h ALA 135 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1a00 h ALA 135 CO 0.03 0.50 0.21 0.78 0.00 0.00 0.00 179.25 180.77 1a00 h GLY 136 N 0.64 0.46 0.87 0.00 0.00 -0.78 0.14 103.07 104.40 1a00 h GLY 136 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1a00 h GLY 136 CO 0.05 0.17 0.06 -2.08 0.00 0.00 0.00 176.54 174.74 1a00 h VAL 137 N 0.44 1.21 -0.54 4.60 2.07 -1.25 0.48 116.25 123.25 1a00 h VAL 137 Ca 0.12 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1a00 h VAL 137 Cb -0.05 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1a00 h VAL 137 CO -0.03 0.22 0.31 0.00 0.02 0.00 0.00 177.57 178.10 1a00 h ALA 138 N 0.88 0.69 -0.68 1.67 0.00 -0.80 -1.18 119.26 119.85 1a00 h ALA 138 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1a00 h ALA 138 Cb 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1a00 h ALA 138 CO 0.00 0.20 0.28 -0.91 0.00 0.00 0.00 179.25 178.81 1a00 h ASN 139 N 0.73 0.93 -0.75 0.00 -0.26 -0.63 -1.16 115.58 114.43 1a00 h ASN 139 Ca 0.19 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1a00 h ASN 139 Cb 0.02 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.00 1a00 h ASN 139 CO -0.03 0.84 0.47 0.00 -1.06 0.00 0.00 177.43 177.65 1a00 h ALA 140 N 1.12 0.96 0.00 -0.83 0.00 -0.36 -1.56 119.26 118.59 1a00 h ALA 140 Ca 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1a00 h ALA 140 Cb 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1a00 h ALA 140 CO -0.02 0.41 -0.14 -0.07 0.00 0.00 0.00 179.25 179.42 1a00 h LEU 141 N 1.02 0.00 0.00 0.00 3.38 -0.98 -2.83 115.31 115.90 1a00 h LEU 141 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1a00 h LEU 141 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1a00 h LEU 141 CO -0.05 0.14 -0.81 0.00 0.09 0.00 0.00 178.44 177.81 1a00 n ALA 142 N -2.16 3.42 -0.29 1.53 0.00 -0.46 -4.51 120.51 118.03 1a00 n ALA 142 Ca 0.01 -0.37 0.07 0.00 0.00 0.00 0.00 53.44 53.15 1a00 n ALA 142 Cb 0.43 -1.04 0.22 0.00 0.00 0.00 0.00 19.45 19.06 1a00 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a00 h HIS 143 N 0.00 0.73 -0.33 0.00 6.17 -1.03 -2.41 115.15 118.28 1a00 h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1a00 h HIS 143 Cb 0.66 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.39 1a00 h HIS 143 CO 0.00 0.17 0.00 1.63 0.71 0.00 0.00 177.93 180.44 1a00 n LYS 144 N -4.88 1.97 -2.62 5.26 4.76 -1.26 -4.94 118.16 116.44 1a00 n LYS 144 Ca 0.16 -1.27 -0.36 0.00 -2.87 0.00 0.00 58.31 53.98 1a00 n LYS 144 Cb 0.43 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 32.20 1a00 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1a00 s TYR 145 N -1.59 3.31 0.00 2.13 1.51 -0.91 -4.76 117.35 117.04 1a00 s TYR 145 Ca 0.23 1.65 0.00 0.00 -1.01 0.00 0.00 57.07 57.95 1a00 s TYR 145 Cb 0.13 -3.05 0.00 0.00 -0.11 0.00 0.00 41.96 38.93 1a00 s TYR 145 CO 0.14 -0.45 0.00 -2.39 -1.11 0.00 0.00 175.55 171.74