#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a01 s HIS 2 N 0.00 2.78 0.02 1.12 5.04 -1.26 -4.56 115.29 118.42 1a01 s HIS 2 Ca 0.00 -0.07 0.06 0.00 -1.54 0.00 0.00 55.06 53.51 1a01 s HIS 2 Cb 0.00 -4.10 -0.02 0.00 0.04 0.00 0.00 32.58 28.50 1a01 s HIS 2 CO 0.00 -1.39 -0.19 -0.51 -2.34 0.00 0.00 174.74 170.31 1a01 s LEU 3 N 3.97 2.11 0.82 8.88 1.43 -1.26 -5.11 118.68 129.51 1a01 s LEU 3 Ca 0.29 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 1a01 s LEU 3 Cb -0.13 -0.93 0.08 0.00 0.03 0.00 0.00 46.19 45.24 1a01 s LEU 3 CO 0.18 0.18 1.09 0.42 0.23 0.00 0.00 176.35 178.45 1a01 s THR 4 N -0.65 3.10 0.51 5.49 -4.23 -1.26 -4.78 115.64 113.82 1a01 s THR 4 Ca 0.07 0.36 0.17 0.00 -1.18 0.00 0.00 61.69 61.11 1a01 s THR 4 Cb -0.08 -2.94 0.30 0.00 1.34 0.00 0.00 72.50 71.13 1a01 s THR 4 CO 0.01 -0.47 2.10 -0.65 -0.54 0.00 0.00 174.62 175.07 1a01 h PRO 5 N -1.23 0.07 -0.29 3.99 0.11 -2.00 -1.07 132.00 131.59 1a01 h PRO 5 Ca -0.47 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1a01 h PRO 5 Cb 1.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1a01 h PRO 5 CO 0.55 0.05 0.03 0.93 -0.21 0.00 0.00 178.00 179.35 1a01 h GLU 6 N 0.07 0.49 -0.37 1.05 3.07 -2.00 -2.00 114.58 114.90 1a01 h GLU 6 Ca 0.09 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1a01 h GLU 6 Cb 0.26 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1a01 h GLU 6 CO -0.01 0.62 -0.04 0.93 -1.40 0.00 0.00 179.01 179.11 1a01 h GLU 7 N 0.30 0.68 -0.77 2.33 5.08 -1.64 -2.18 114.58 118.38 1a01 h GLU 7 Ca 0.09 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1a01 h GLU 7 Cb 0.37 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1a01 h GLU 7 CO 0.01 0.81 0.50 0.87 -1.00 0.00 0.00 179.01 180.19 1a01 h LYS 8 N 0.49 0.96 -0.43 2.33 1.57 -1.14 -1.90 116.57 118.44 1a01 h LYS 8 Ca 0.10 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1a01 h LYS 8 Cb 0.53 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1a01 h LYS 8 CO 0.03 0.63 -0.02 0.77 -0.57 0.00 0.00 179.45 180.29 1a01 h SER 9 N 0.99 0.69 -0.59 0.86 0.02 -1.17 -0.38 113.55 113.97 1a01 h SER 9 Ca 0.30 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1a01 h SER 9 Cb -0.04 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1a01 h SER 9 CO -0.09 0.77 0.23 0.00 -1.14 0.00 0.00 176.83 176.59 1a01 h ALA 10 N 1.31 0.77 0.34 3.77 0.00 -0.98 -0.77 119.26 123.69 1a01 h ALA 10 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1a01 h ALA 10 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a01 h ALA 10 CO 0.02 0.39 -0.16 0.28 0.00 0.00 0.00 179.25 179.78 1a01 h VAL 11 N 0.82 0.67 -0.21 0.00 2.07 -0.93 -2.78 116.25 115.90 1a01 h VAL 11 Ca 0.20 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1a01 h VAL 11 Cb 0.21 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1a01 h VAL 11 CO -0.01 0.08 0.04 0.74 0.02 0.00 0.00 177.57 178.43 1a01 h THR 12 N -0.69 0.90 -0.02 2.57 2.02 -1.02 -2.19 112.91 114.49 1a01 h THR 12 Ca -0.05 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1a01 h THR 12 Cb 0.48 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1a01 h THR 12 CO 0.08 0.02 -0.07 0.00 0.37 0.00 0.00 175.52 175.92 1a01 h ALA 13 N 1.15 -0.05 -0.62 6.16 0.00 -1.18 -2.10 119.26 122.62 1a01 h ALA 13 Ca 0.09 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1a01 h ALA 13 Cb 0.09 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1a01 h ALA 13 CO -0.13 -0.55 0.04 1.25 0.00 0.00 0.00 179.25 179.85 1a01 h LEU 14 N -0.11 1.02 -1.27 0.00 6.46 -1.46 -2.99 115.31 116.96 1a01 h LEU 14 Ca 0.03 -0.27 0.06 0.00 -0.12 0.00 0.00 57.88 57.59 1a01 h LEU 14 Cb 0.15 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.76 1a01 h LEU 14 CO -0.08 1.05 0.53 -0.25 -0.62 0.00 0.00 178.44 179.07 1a01 h TRP 15 N 0.97 0.89 -0.04 1.25 2.91 -1.14 -0.24 115.95 120.56 1a01 h TRP 15 Ca 0.18 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.24 1a01 h TRP 15 Cb 0.51 -0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 28.86 1a01 h TRP 15 CO 0.04 0.47 0.16 0.78 -1.03 0.00 0.00 178.44 178.86 1a01 h GLY 16 N 0.88 0.00 -0.15 2.65 0.00 -1.23 -0.52 103.07 104.71 1a01 h GLY 16 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1a01 h GLY 16 CO -0.12 0.00 -0.51 0.28 0.00 0.00 0.00 176.54 176.19 1a01 n LYS 17 N -3.18 0.71 -2.82 4.80 5.02 -0.10 -4.98 118.16 117.59 1a01 n LYS 17 Ca -0.02 -0.52 -0.40 0.00 -2.02 0.00 0.00 58.31 55.35 1a01 n LYS 17 Cb 0.24 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1a01 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a01 s VAL 18 N -2.65 4.29 -0.52 -0.18 1.01 -0.20 -5.01 120.40 117.13 1a01 s VAL 18 Ca 0.17 1.95 -0.19 0.00 0.00 0.00 0.00 61.98 63.92 1a01 s VAL 18 Cb 0.18 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1a01 s VAL 18 CO 0.63 0.46 0.62 0.21 0.00 0.00 0.00 175.10 177.01 1a01 s ASN 19 N -0.83 6.21 0.22 3.32 3.84 -1.26 -4.92 114.94 121.51 1a01 s ASN 19 Ca 0.41 -1.10 -0.08 0.00 0.21 0.00 0.00 52.86 52.30 1a01 s ASN 19 Cb -0.24 -2.28 0.26 0.00 -0.55 0.00 0.00 41.25 38.44 1a01 s ASN 19 CO 0.29 -0.92 1.83 0.58 -2.79 0.00 0.00 177.10 176.09 1a01 h VAL 20 N 5.87 1.01 -0.28 -5.21 2.07 -1.95 -0.49 116.25 117.26 1a01 h VAL 20 Ca -0.28 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1a01 h VAL 20 Cb 1.09 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1a01 h VAL 20 CO 0.99 0.15 0.15 0.44 0.02 0.00 0.00 177.57 179.32 1a01 h ASP 21 N 0.80 0.36 0.24 0.57 3.32 -1.91 -0.43 116.42 119.37 1a01 h ASP 21 Ca 0.32 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1a01 h ASP 21 Cb 0.16 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1a01 h ASP 21 CO -0.17 0.35 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.51 1a01 h GLU 22 N 0.33 -0.31 -0.49 3.56 4.81 -1.89 -2.46 114.58 118.14 1a01 h GLU 22 Ca 0.10 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1a01 h GLU 22 Cb 0.08 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1a01 h GLU 22 CO -0.01 -0.03 0.24 0.28 -0.73 0.00 0.00 179.01 178.76 1a01 h VAL 23 N -0.57 1.16 0.05 0.32 2.07 -1.10 -2.33 116.25 115.85 1a01 h VAL 23 Ca -0.03 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1a01 h VAL 23 Cb 0.42 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1a01 h VAL 23 CO 0.05 0.19 -0.03 1.23 0.02 0.00 0.00 177.57 179.04 1a01 h GLY 24 N 0.79 -0.07 1.01 2.17 0.00 -0.98 -0.42 103.07 105.56 1a01 h GLY 24 Ca 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1a01 h GLY 24 CO -0.03 -0.03 0.46 -1.33 0.00 0.00 0.00 176.54 175.62 1a01 h GLY 25 N -0.10 1.11 0.80 4.60 0.00 -1.28 -1.95 103.07 106.26 1a01 h GLY 25 Ca -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1a01 h GLY 25 CO 0.01 0.45 0.01 0.83 0.00 0.00 0.00 176.54 177.84 1a01 h GLU 26 N 1.04 0.06 -0.36 4.80 4.39 -1.29 -0.69 114.58 122.54 1a01 h GLU 26 Ca 0.27 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 1a01 h GLU 26 Cb -0.04 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1a01 h GLU 26 CO -0.05 0.25 0.12 0.00 -1.16 0.00 0.00 179.01 178.17 1a01 h ALA 27 N 0.81 0.47 -0.29 3.43 0.00 -1.02 0.11 119.26 122.76 1a01 h ALA 27 Ca 0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1a01 h ALA 27 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a01 h ALA 27 CO -0.00 0.10 -0.36 1.25 0.00 0.00 0.00 179.25 180.24 1a01 h LEU 28 N 0.43 0.82 -0.37 0.00 5.85 -1.37 -0.40 115.31 120.28 1a01 h LEU 28 Ca 0.12 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.36 1a01 h LEU 28 Cb 0.24 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1a01 h LEU 28 CO -0.00 1.15 0.21 1.23 -0.34 0.00 0.00 178.44 180.68 1a01 h GLY 29 N 0.51 0.50 1.55 3.75 0.00 -1.07 -2.20 103.07 106.12 1a01 h GLY 29 Ca 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1a01 h GLY 29 CO 0.09 0.13 -0.00 3.21 0.00 0.00 0.00 176.54 179.97 1a01 h ARG 30 N 0.42 0.57 -0.30 4.80 3.08 -0.66 -1.66 114.38 120.62 1a01 h ARG 30 Ca 0.15 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1a01 h ARG 30 Cb 0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1a01 h ARG 30 CO -0.07 0.59 0.18 1.25 -1.07 0.00 0.00 179.97 180.85 1a01 h LEU 31 N 0.54 0.30 -1.45 3.04 5.85 -0.64 0.12 115.31 123.06 1a01 h LEU 31 Ca 0.11 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1a01 h LEU 31 Cb 0.35 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1a01 h LEU 31 CO 0.01 0.22 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.05 1a01 h LEU 32 N 0.37 0.09 0.06 2.25 4.07 -0.99 0.57 115.31 121.73 1a01 h LEU 32 Ca 0.12 -0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.94 1a01 h LEU 32 Cb -0.01 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1a01 h LEU 32 CO -0.05 0.31 -0.58 0.58 -1.08 0.00 0.00 178.44 177.62 1a01 h VAL 33 N 0.09 1.51 -0.13 1.22 2.07 -1.08 -3.27 116.25 116.67 1a01 h VAL 33 Ca 0.02 -2.40 -0.22 0.00 0.82 0.00 0.00 66.70 64.92 1a01 h VAL 33 Cb 0.42 3.12 0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1a01 h VAL 33 CO 0.03 0.62 -0.78 0.58 0.02 0.00 0.00 177.57 178.04 1a01 h VAL 34 N -0.71 1.30 -2.79 2.57 2.07 -0.93 -3.37 116.25 114.39 1a01 h VAL 34 Ca -0.12 -2.03 -0.61 0.00 0.82 0.00 0.00 66.70 64.75 1a01 h VAL 34 Cb 1.34 2.03 -0.41 0.00 -1.52 0.00 0.00 31.29 32.73 1a01 h VAL 34 CO 0.03 0.64 -0.65 -1.22 0.02 0.00 0.00 177.57 176.39 1a01 n TYR 35 N -3.90 2.62 0.20 1.57 4.01 0.18 -4.99 117.16 116.85 1a01 n TYR 35 Ca -0.07 -4.12 0.18 0.00 -0.16 0.00 0.00 57.90 53.73 1a01 n TYR 35 Cb 0.74 -0.48 0.83 0.00 -0.31 0.00 0.00 39.34 40.12 1a01 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1a01 h PRO 36 N 5.16 0.00 -0.04 -0.72 0.11 -1.73 -1.59 132.00 133.18 1a01 h PRO 36 Ca 0.17 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.29 1a01 h PRO 36 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1a01 h PRO 36 CO 0.68 0.00 0.03 0.00 -0.21 0.00 0.00 178.00 178.50 1a01 h ALA 37 N 1.63 1.84 0.00 -0.75 0.00 -1.92 -0.46 119.26 119.61 1a01 h ALA 37 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1a01 h ALA 37 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1a01 h ALA 37 CO -0.00 -0.05 0.00 1.79 0.00 0.00 0.00 179.25 180.99 1a01 h THR 38 N 0.00 0.00 0.00 0.00 1.35 -1.61 -1.66 112.91 110.99 1a01 h THR 38 Ca 0.02 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1a01 h THR 38 Cb 0.08 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1a01 h THR 38 CO -0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1a01 h GLN 39 N 0.00 0.00 -0.63 4.72 4.20 -1.27 -3.16 115.11 118.97 1a01 h GLN 39 Ca 0.00 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.89 1a01 h GLN 39 Cb 0.22 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1a01 h GLN 39 CO 0.00 0.00 0.59 0.07 -0.67 0.00 0.00 178.83 178.82 1a01 h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.49 -0.67 114.38 113.79 1a01 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a01 h ARG 40 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1a01 h ARG 40 CO 0.00 0.00 -0.73 1.19 0.10 0.00 0.00 179.97 180.53 1a01 n PHE 41 N -3.83 0.22 -1.25 4.08 3.72 -1.20 -4.44 117.46 114.76 1a01 n PHE 41 Ca 0.13 0.06 0.05 0.00 -0.05 0.00 0.00 57.45 57.64 1a01 n PHE 41 Cb 0.83 -0.39 0.20 0.00 -0.94 0.00 0.00 39.48 39.17 1a01 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a01 n PHE 42 N -1.79 0.51 0.28 1.38 3.72 -0.26 -4.76 117.46 116.54 1a01 n PHE 42 Ca 0.04 -1.22 0.15 0.00 -0.05 0.00 0.00 57.45 56.37 1a01 n PHE 42 Cb 0.39 -0.30 0.89 0.00 -0.94 0.00 0.00 39.48 39.53 1a01 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1a01 h GLU 43 N 0.89 0.00 -0.00 -1.08 5.08 -1.77 -1.32 114.58 116.38 1a01 h GLU 43 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1a01 h GLU 43 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1a01 h GLU 43 CO 0.15 0.00 -0.06 -1.13 -1.00 0.00 0.00 179.01 176.98 1a01 n SER 44 N -3.86 0.23 0.00 1.42 3.41 -1.26 -3.79 113.62 109.77 1a01 n SER 44 Ca -0.02 -0.39 0.11 0.00 -0.26 0.00 0.00 58.87 58.30 1a01 n SER 44 Cb 0.13 -0.16 0.53 0.00 -0.26 0.00 0.00 64.21 64.44 1a01 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1a01 n PHE 45 N -1.12 0.00 -0.12 7.33 3.01 -0.50 -5.01 117.46 121.06 1a01 n PHE 45 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1a01 n PHE 45 Cb 0.25 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1a01 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a01 n GLY 46 N 0.67 1.03 3.63 1.37 0.00 -1.25 -4.72 105.19 105.91 1a01 n GLY 46 Ca 0.09 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 1a01 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a01 s ASP 47 N -4.00 6.83 -0.11 1.61 2.15 -1.26 -4.87 116.67 117.03 1a01 s ASP 47 Ca 0.00 0.87 0.15 0.00 0.43 0.00 0.00 52.55 54.00 1a01 s ASP 47 Cb 0.00 -2.53 0.33 0.00 -0.30 0.00 0.00 42.92 40.42 1a01 s ASP 47 CO 0.00 -0.95 1.16 0.18 -0.17 0.00 0.00 175.17 175.39 1a01 n LEU 48 N 7.04 1.78 0.14 -1.34 4.77 -1.26 -4.20 117.00 123.92 1a01 n LEU 48 Ca 0.11 -2.80 0.02 0.00 -0.03 0.00 0.00 56.01 53.32 1a01 n LEU 48 Cb 0.48 -0.29 0.38 0.00 -2.33 0.00 0.00 43.42 41.65 1a01 n LEU 48 CO 0.61 0.85 0.84 0.77 -1.33 0.00 0.00 177.39 179.13 1a01 h SER 49 N 0.64 0.17 -5.60 -1.43 4.64 -1.90 -3.44 113.55 106.62 1a01 h SER 49 Ca -0.06 -0.04 -0.27 0.00 -0.47 0.00 0.00 61.79 60.95 1a01 h SER 49 Cb 1.30 -0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 63.22 1a01 h SER 49 CO 0.03 0.39 -0.46 0.42 -0.87 0.00 0.00 176.83 176.34 1a01 s THR 50 N -4.56 0.00 0.20 2.95 -4.23 -1.26 -5.00 115.64 103.73 1a01 s THR 50 Ca -0.05 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1a01 s THR 50 Cb 0.15 -2.47 0.11 0.00 1.34 0.00 0.00 72.50 71.63 1a01 s THR 50 CO 0.73 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.95 1a01 h PRO 51 N 2.39 0.56 -0.55 3.99 0.11 -1.99 0.43 132.00 136.94 1a01 h PRO 51 Ca -0.31 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 1a01 h PRO 51 Cb 1.24 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1a01 h PRO 51 CO 0.45 0.37 0.24 -0.44 -0.21 0.00 0.00 178.00 178.41 1a01 h ASP 52 N 0.57 0.74 -0.72 -2.05 3.32 -1.98 -0.17 116.42 116.13 1a01 h ASP 52 Ca 0.26 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1a01 h ASP 52 Cb 0.18 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1a01 h ASP 52 CO -0.18 0.68 0.20 0.00 -1.72 0.00 0.00 179.24 178.22 1a01 h ALA 53 N 1.08 0.98 0.06 3.45 0.00 -1.63 -1.42 119.26 121.79 1a01 h ALA 53 Ca 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a01 h ALA 53 Cb 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1a01 h ALA 53 CO -0.02 0.67 -0.03 0.28 0.00 0.00 0.00 179.25 180.15 1a01 h VAL 54 N 1.09 1.15 0.00 0.00 2.07 -0.64 -1.68 116.25 118.24 1a01 h VAL 54 Ca 0.23 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1a01 h VAL 54 Cb 0.34 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1a01 h VAL 54 CO -0.00 0.18 -0.14 0.24 0.02 0.00 0.00 177.57 177.87 1a01 h MET 55 N -0.41 0.00 -0.01 1.57 2.07 -0.96 -2.89 114.93 114.30 1a01 h MET 55 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1a01 h MET 55 Cb 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1a01 h MET 55 CO 0.01 0.14 -0.36 0.41 1.07 0.00 0.00 176.91 178.18 1a01 n GLY 56 N -1.06 -0.17 3.66 8.32 0.00 -0.54 -4.89 105.19 110.51 1a01 n GLY 56 Ca -0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1a01 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a01 s ASN 57 N -2.45 6.71 0.51 1.61 3.84 -0.64 -4.90 114.94 119.61 1a01 s ASN 57 Ca 0.22 2.07 0.20 0.00 0.21 0.00 0.00 52.86 55.55 1a01 s ASN 57 Cb 0.19 -2.53 1.30 0.00 -0.55 0.00 0.00 41.25 39.65 1a01 s ASN 57 CO 0.54 -0.91 2.10 1.55 -2.79 0.00 0.00 177.10 177.58 1a01 h PRO 58 N 9.31 0.00 -0.11 0.43 0.13 -1.90 -1.75 132.00 138.12 1a01 h PRO 58 Ca -0.36 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.56 1a01 h PRO 58 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1a01 h PRO 58 CO 0.96 0.09 -0.79 0.87 -0.23 0.00 0.00 178.00 178.90 1a01 h LYS 59 N 0.00 0.63 0.15 0.86 6.56 -1.91 -1.04 116.57 121.82 1a01 h LYS 59 Ca -0.00 -0.54 -0.01 0.00 -1.06 0.00 0.00 60.65 59.04 1a01 h LYS 59 Cb 0.17 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1a01 h LYS 59 CO 0.01 1.16 -0.07 0.28 -2.06 0.00 0.00 179.45 178.77 1a01 h VAL 60 N 0.42 0.89 -0.53 0.50 2.07 -1.80 -0.95 116.25 116.86 1a01 h VAL 60 Ca -0.05 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1a01 h VAL 60 Cb 1.41 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1a01 h VAL 60 CO 0.15 0.03 0.25 0.11 0.02 0.00 0.00 177.57 178.14 1a01 h LYS 61 N -0.27 0.47 -0.78 1.57 1.57 -1.27 0.14 116.57 117.99 1a01 h LYS 61 Ca -0.02 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1a01 h LYS 61 Cb 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1a01 h LYS 61 CO 0.03 0.31 0.32 0.00 -0.57 0.00 0.00 179.45 179.54 1a01 h ALA 62 N 1.30 1.02 -0.48 3.86 0.00 -1.02 -1.67 119.26 122.27 1a01 h ALA 62 Ca 0.24 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1a01 h ALA 62 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1a01 h ALA 62 CO -0.18 0.64 -0.19 1.25 0.00 0.00 0.00 179.25 180.76 1a01 h HIS 63 N 1.14 1.09 -0.69 0.00 -0.00 -0.74 -2.62 115.15 113.33 1a01 h HIS 63 Ca 0.26 -0.25 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 1a01 h HIS 63 Cb 0.21 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 1a01 h HIS 63 CO 0.02 1.06 0.31 0.78 -0.00 0.00 0.00 177.93 180.10 1a01 h GLY 64 N 0.91 1.07 0.98 5.26 0.00 -0.30 -0.22 103.07 110.77 1a01 h GLY 64 Ca 0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1a01 h GLY 64 CO 0.06 0.50 0.27 0.50 0.00 0.00 0.00 176.54 177.87 1a01 h LYS 65 N 0.99 0.65 -0.02 4.80 1.57 -1.12 -0.10 116.57 123.32 1a01 h LYS 65 Ca 0.24 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1a01 h LYS 65 Cb 0.14 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1a01 h LYS 65 CO -0.03 0.50 0.02 -0.22 -0.57 0.00 0.00 179.45 179.14 1a01 h LYS 66 N 0.62 0.03 0.04 3.15 3.64 -1.07 0.90 116.57 123.88 1a01 h LYS 66 Ca 0.17 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1a01 h LYS 66 Cb 0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1a01 h LYS 66 CO -0.03 0.05 -0.02 0.28 -2.27 0.00 0.00 179.45 177.47 1a01 h VAL 67 N 0.01 1.10 0.00 2.00 2.07 -0.94 -2.69 116.25 117.79 1a01 h VAL 67 Ca 0.01 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1a01 h VAL 67 Cb 0.03 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1a01 h VAL 67 CO -0.00 0.11 -0.31 -0.07 0.02 0.00 0.00 177.57 177.31 1a01 h LEU 68 N -0.24 0.00 -0.58 2.57 -0.00 -1.00 -1.86 115.31 114.20 1a01 h LEU 68 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1a01 h LEU 68 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 1a01 h LEU 68 CO 0.01 0.31 0.27 1.23 -0.00 0.00 0.00 178.44 180.26 1a01 h GLY 69 N 1.55 0.90 0.96 0.83 0.00 -0.72 0.23 103.07 106.82 1a01 h GLY 69 Ca -0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1a01 h GLY 69 CO 0.04 0.43 0.08 0.00 0.00 0.00 0.00 176.54 177.09 1a01 h ALA 70 N 1.11 0.61 -0.33 3.60 0.00 -1.15 -0.24 119.26 122.86 1a01 h ALA 70 Ca 0.20 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1a01 h ALA 70 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1a01 h ALA 70 CO -0.02 0.33 0.14 0.35 0.00 0.00 0.00 179.25 180.04 1a01 h PHE 71 N 0.62 0.25 -0.53 0.00 3.04 -1.04 -1.56 116.94 117.73 1a01 h PHE 71 Ca 0.14 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.15 1a01 h PHE 71 Cb 0.38 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.77 1a01 h PHE 71 CO 0.03 0.12 0.27 1.03 -2.02 0.00 0.00 178.31 177.74 1a01 h SER 72 N 0.30 0.38 0.34 0.41 0.87 -0.24 -1.36 113.55 114.24 1a01 h SER 72 Ca 0.14 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1a01 h SER 72 Cb 0.09 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1a01 h SER 72 CO -0.12 0.26 -0.35 0.44 -0.53 0.00 0.00 176.83 176.52 1a01 h ASP 73 N 0.51 0.01 0.41 6.23 3.32 -0.47 -2.38 116.42 124.06 1a01 h ASP 73 Ca 0.24 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1a01 h ASP 73 Cb 0.15 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1a01 h ASP 73 CO -0.17 0.36 -0.28 1.23 -1.72 0.00 0.00 179.24 178.66 1a01 h GLY 74 N 1.05 0.00 2.00 2.75 0.00 -0.28 -2.50 103.07 106.09 1a01 h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a01 h GLY 74 CO 0.05 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.00 1a01 h LEU 75 N 0.00 0.00 0.00 3.11 4.07 -0.89 -1.35 115.31 120.25 1a01 h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1a01 h LEU 75 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1a01 h LEU 75 CO 0.04 0.00 -0.37 0.00 -1.08 0.00 0.00 178.44 177.03 1a01 h ALA 76 N 2.21 0.78 -0.68 1.53 0.00 -1.56 -3.36 119.26 118.18 1a01 h ALA 76 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1a01 h ALA 76 Cb 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.70 1a01 h ALA 76 CO 0.00 0.00 -0.84 0.72 0.00 0.00 0.00 179.25 179.13 1a01 n HIS 77 N -2.43 2.45 0.10 0.00 8.25 -0.51 -4.86 115.22 118.22 1a01 n HIS 77 Ca 0.04 -2.17 0.19 0.00 -0.26 0.00 0.00 57.72 55.52 1a01 n HIS 77 Cb 0.47 -0.32 0.75 0.00 1.12 0.00 0.00 29.99 32.01 1a01 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1a01 h LEU 78 N 2.16 0.00 0.00 2.41 -0.00 -1.71 0.29 115.31 118.47 1a01 h LEU 78 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1a01 h LEU 78 Cb 1.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.15 1a01 h LEU 78 CO 0.66 0.00 -0.03 0.47 -0.00 0.00 0.00 178.44 179.54 1a01 n ASP 79 N -3.96 0.23 -2.96 -0.43 8.00 -1.26 -1.13 116.55 115.04 1a01 n ASP 79 Ca 0.06 0.48 -0.14 0.00 0.71 0.00 0.00 54.79 55.91 1a01 n ASP 79 Cb 0.52 -0.53 0.02 0.00 -0.02 0.00 0.00 41.12 41.11 1a01 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a01 n ASN 80 N -1.70 -0.14 -0.13 -2.24 5.15 0.10 -3.80 115.26 112.50 1a01 n ASN 80 Ca 0.07 -3.12 -0.12 0.00 -0.60 0.00 0.00 54.58 50.81 1a01 n ASN 80 Cb 0.36 0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1a01 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1a01 h LEU 81 N 2.93 0.99 -0.53 1.20 3.38 -1.69 -1.89 115.31 119.70 1a01 h LEU 81 Ca -0.01 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1a01 h LEU 81 Cb 1.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1a01 h LEU 81 CO 0.36 1.20 0.31 0.11 0.09 0.00 0.00 178.44 180.52 1a01 h LYS 82 N 0.79 0.61 -0.31 1.13 1.57 -1.90 -0.44 116.57 118.01 1a01 h LYS 82 Ca 0.08 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1a01 h LYS 82 Cb 0.88 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1a01 h LYS 82 CO 0.08 0.40 0.13 0.78 -0.57 0.00 0.00 179.45 180.27 1a01 h GLY 83 N 0.62 0.49 1.41 3.86 0.00 -1.93 -1.55 103.07 105.96 1a01 h GLY 83 Ca 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1a01 h GLY 83 CO -0.10 0.24 0.23 -0.84 0.00 0.00 0.00 176.54 176.07 1a01 h THR 84 N 0.35 1.19 -0.16 4.70 2.02 -1.00 -3.22 112.91 116.79 1a01 h THR 84 Ca 0.10 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1a01 h THR 84 Cb 0.16 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1a01 h THR 84 CO -0.01 0.23 0.00 0.49 0.37 0.00 0.00 175.52 176.60 1a01 n PHE 85 N -4.35 0.20 -0.13 3.16 3.72 -0.20 -4.69 117.46 115.17 1a01 n PHE 85 Ca 0.04 -0.14 -0.04 0.00 -0.05 0.00 0.00 57.45 57.27 1a01 n PHE 85 Cb 0.15 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1a01 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a01 h ALA 86 N 3.35 0.33 -0.60 4.37 0.00 -1.30 0.24 119.26 125.65 1a01 h ALA 86 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1a01 h ALA 86 Cb 0.76 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1a01 h ALA 86 CO 0.00 -0.42 -0.01 1.15 0.00 0.00 0.00 179.25 179.96 1a01 h THR 87 N 0.05 1.27 -0.10 0.00 2.02 -1.83 -1.88 112.91 112.44 1a01 h THR 87 Ca 0.21 -1.17 -0.11 0.00 0.77 0.00 0.00 66.41 66.10 1a01 h THR 87 Cb 0.31 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1a01 h THR 87 CO -0.39 0.43 -0.43 -0.07 0.37 0.00 0.00 175.52 175.42 1a01 h LEU 88 N 0.98 0.23 0.06 2.58 3.38 -1.74 -1.35 115.31 119.44 1a01 h LEU 88 Ca 0.17 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a01 h LEU 88 Cb 0.58 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1a01 h LEU 88 CO 0.03 0.64 -0.03 -1.28 0.09 0.00 0.00 178.44 177.89 1a01 h SER 89 N 0.18 -0.07 -0.45 -0.43 0.87 -0.10 -0.93 113.55 112.61 1a01 h SER 89 Ca 0.01 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1a01 h SER 89 Cb 0.84 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.77 1a01 h SER 89 CO 0.07 0.00 0.21 -0.33 -0.53 0.00 0.00 176.83 176.24 1a01 h GLU 90 N -0.13 0.40 -0.29 2.24 5.08 -1.16 -2.04 114.58 118.68 1a01 h GLU 90 Ca -0.01 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1a01 h GLU 90 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1a01 h GLU 90 CO 0.01 0.27 0.09 1.25 -1.00 0.00 0.00 179.01 179.63 1a01 h LEU 91 N 0.41 0.10 -1.49 1.33 5.85 -1.06 0.14 115.31 120.59 1a01 h LEU 91 Ca 0.20 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1a01 h LEU 91 Cb 0.14 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1a01 h LEU 91 CO -0.16 0.09 -0.02 0.45 -0.34 0.00 0.00 178.44 178.46 1a01 h HIS 92 N 0.22 0.30 0.00 1.25 3.86 -0.82 -0.39 115.15 119.57 1a01 h HIS 92 Ca 0.13 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1a01 h HIS 92 Cb 0.10 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1a01 h HIS 92 CO -0.14 0.33 -0.03 0.00 0.86 0.00 0.00 177.93 178.96 1a01 h ASP 94 N -1.00 0.62 0.00 0.00 3.32 -0.73 -3.20 116.42 115.43 1a01 h ASP 94 Ca -0.00 -0.38 -0.16 0.00 0.02 0.00 0.00 57.03 56.51 1a01 h ASP 94 Cb 0.14 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1a01 h ASP 94 CO -0.00 1.12 -1.59 0.29 -1.72 0.00 0.00 179.24 177.33 1a01 n LYS 95 N -3.90 0.83 0.07 3.56 4.76 -0.25 -4.75 118.16 118.49 1a01 n LYS 95 Ca -0.04 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1a01 n LYS 95 Cb 0.68 -1.21 -0.05 0.00 -1.84 0.00 0.00 35.03 32.61 1a01 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1a01 h LEU 96 N 0.00 0.00 -1.66 -0.35 3.38 -1.40 -3.49 115.31 111.79 1a01 h LEU 96 Ca -0.23 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.36 1a01 h LEU 96 Cb 1.40 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.26 1a01 h LEU 96 CO -0.03 0.58 -0.80 1.41 0.09 0.00 0.00 178.44 179.70 1a01 n HIS 97 N -3.03 -2.09 -3.48 1.13 8.25 -0.19 -4.97 115.22 110.84 1a01 n HIS 97 Ca -0.05 0.89 -0.39 0.00 -0.26 0.00 0.00 57.72 57.92 1a01 n HIS 97 Cb 0.81 -4.71 -0.10 0.00 1.12 0.00 0.00 29.99 27.11 1a01 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1a01 s VAL 98 N -3.51 5.23 0.09 1.59 1.01 -0.45 -5.04 120.40 119.33 1a01 s VAL 98 Ca 0.05 0.38 -0.31 0.00 0.00 0.00 0.00 61.98 62.11 1a01 s VAL 98 Cb -0.02 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 1a01 s VAL 98 CO 0.77 0.19 1.89 -0.62 0.00 0.00 0.00 175.10 177.33 1a01 s ASP 99 N 1.69 6.43 0.37 3.32 -1.08 -1.26 -4.77 116.67 121.37 1a01 s ASP 99 Ca 0.11 2.73 0.22 0.00 -0.52 0.00 0.00 52.55 55.10 1a01 s ASP 99 Cb -0.16 -2.55 1.20 0.00 -1.46 0.00 0.00 42.92 39.95 1a01 s ASP 99 CO 0.10 -1.03 1.65 -0.65 0.52 0.00 0.00 175.17 175.77 1a01 h PRO 100 N 9.41 0.00 -0.49 4.34 0.11 -1.96 -1.58 132.00 141.83 1a01 h PRO 100 Ca -0.48 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1a01 h PRO 100 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1a01 h PRO 100 CO 0.95 0.00 0.33 1.49 -0.21 0.00 0.00 178.00 180.55 1a01 h GLU 101 N 0.00 0.36 -0.07 1.05 4.57 -1.99 -0.91 114.58 117.59 1a01 h GLU 101 Ca 0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1a01 h GLU 101 Cb 0.18 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1a01 h GLU 101 CO 0.00 0.24 -0.11 -0.91 -1.18 0.00 0.00 179.01 177.05 1a01 h ASN 102 N 0.37 0.10 -0.44 1.04 -0.26 -1.66 -1.83 115.58 112.90 1a01 h ASN 102 Ca 0.22 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.89 1a01 h ASN 102 Cb 0.38 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 1a01 h ASN 102 CO -0.05 0.22 0.08 -0.26 -1.06 0.00 0.00 177.43 176.37 1a01 h PHE 103 N 0.10 0.82 -0.28 1.19 0.04 -1.36 -0.32 116.94 117.14 1a01 h PHE 103 Ca 0.02 -0.09 -0.10 0.00 2.80 0.00 0.00 57.97 60.61 1a01 h PHE 103 Cb 0.26 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1a01 h PHE 103 CO 0.00 0.72 -0.22 0.00 -0.60 0.00 0.00 178.31 178.21 1a01 h ARG 104 N 0.76 0.64 -0.29 1.51 3.08 -1.36 -0.96 114.38 117.75 1a01 h ARG 104 Ca 0.16 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1a01 h ARG 104 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1a01 h ARG 104 CO 0.00 0.91 0.19 -0.07 -1.07 0.00 0.00 179.97 179.94 1a01 h LEU 105 N 0.37 0.34 -0.59 3.04 3.38 -1.26 -1.91 115.31 118.68 1a01 h LEU 105 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1a01 h LEU 105 Cb 0.76 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1a01 h LEU 105 CO 0.06 0.24 0.33 0.25 0.09 0.00 0.00 178.44 179.41 1a01 h LEU 106 N 0.40 0.74 -0.77 1.67 5.85 -0.97 -0.27 115.31 121.95 1a01 h LEU 106 Ca 0.11 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1a01 h LEU 106 Cb -0.05 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 1a01 h LEU 106 CO -0.02 0.61 0.45 1.23 -0.34 0.00 0.00 178.44 180.37 1a01 h GLY 107 N 0.80 1.16 1.36 3.75 0.00 -0.86 0.31 103.07 109.59 1a01 h GLY 107 Ca 0.21 -0.32 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 1a01 h GLY 107 CO -0.03 0.19 -0.65 3.43 0.00 0.00 0.00 176.54 179.47 1a01 h ASN 108 N 0.81 0.74 -0.50 0.19 2.35 -0.85 -2.22 115.58 116.10 1a01 h ASN 108 Ca 0.35 -0.44 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 1a01 h ASN 108 Cb 0.23 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1a01 h ASN 108 CO -0.20 1.20 0.01 0.58 -1.65 0.00 0.00 177.43 177.37 1a01 h VAL 109 N 0.47 1.26 -0.22 2.81 2.07 -0.60 -2.24 116.25 119.79 1a01 h VAL 109 Ca -0.02 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.46 1a01 h VAL 109 Cb 1.24 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1a01 h VAL 109 CO 0.13 0.39 0.07 0.25 0.02 0.00 0.00 177.57 178.42 1a01 h LEU 110 N 0.86 0.06 -0.73 2.57 5.85 -0.22 -0.85 115.31 122.86 1a01 h LEU 110 Ca 0.16 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1a01 h LEU 110 Cb 0.50 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1a01 h LEU 110 CO 0.02 0.06 0.46 0.58 -0.34 0.00 0.00 178.44 179.22 1a01 h VAL 111 N 0.16 1.10 -0.82 1.05 2.07 -1.22 -0.84 116.25 117.75 1a01 h VAL 111 Ca 0.10 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1a01 h VAL 111 Cb 0.08 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1a01 h VAL 111 CO -0.11 0.16 0.53 0.00 0.02 0.00 0.00 177.57 178.18 1a01 h VAL 113 N 1.11 1.18 -0.81 0.00 2.07 -0.40 -0.99 116.25 118.41 1a01 h VAL 113 Ca 0.30 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1a01 h VAL 113 Cb -0.11 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1a01 h VAL 113 CO -0.06 0.20 0.36 -0.07 0.02 0.00 0.00 177.57 178.02 1a01 h LEU 114 N 0.53 1.09 -0.44 2.57 3.38 -0.97 0.80 115.31 122.28 1a01 h LEU 114 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1a01 h LEU 114 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1a01 h LEU 114 CO -0.02 0.94 0.25 0.00 0.09 0.00 0.00 178.44 179.70 1a01 h ALA 115 N 1.19 0.56 -0.63 1.53 0.00 -0.88 0.19 119.26 121.22 1a01 h ALA 115 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1a01 h ALA 115 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1a01 h ALA 115 CO -0.03 0.07 0.32 1.25 0.00 0.00 0.00 179.25 180.86 1a01 h HIS 116 N 0.57 0.90 -0.34 0.00 -0.00 -0.83 -0.68 115.15 114.77 1a01 h HIS 116 Ca 0.15 -0.04 -0.10 0.00 -0.00 0.00 0.00 60.37 60.39 1a01 h HIS 116 Cb 0.04 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 1a01 h HIS 116 CO -0.02 0.67 -0.17 0.45 -0.00 0.00 0.00 177.93 178.85 1a01 h HIS 117 N 0.87 0.82 0.00 5.26 -0.00 -0.55 -3.35 115.15 118.20 1a01 h HIS 117 Ca 0.22 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1a01 h HIS 117 Cb 0.09 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1a01 h HIS 117 CO -0.00 0.92 -1.12 1.19 -0.00 0.00 0.00 177.93 178.92 1a01 n PHE 118 N -4.33 0.06 0.00 2.45 3.72 0.64 -5.05 117.46 114.95 1a01 n PHE 118 Ca -0.03 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1a01 n PHE 118 Cb 0.40 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1a01 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a01 n GLY 119 N 1.43 3.39 0.33 1.37 0.00 -0.27 -1.96 105.19 109.49 1a01 n GLY 119 Ca 0.02 -0.06 0.19 0.00 0.00 0.00 0.00 46.02 46.18 1a01 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a01 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.51 116.57 117.80 1a01 h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1a01 h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1a01 h LYS 120 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 1a01 h GLU 121 N 0.00 0.00 -3.95 0.07 5.08 -1.79 -3.33 114.58 110.66 1a01 h GLU 121 Ca 0.02 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.63 1a01 h GLU 121 Cb 0.22 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.30 1a01 h GLU 121 CO -0.00 0.00 1.66 0.34 -1.00 0.00 0.00 179.01 180.01 1a01 n PHE 122 N -2.37 3.74 -1.56 4.33 7.35 -0.20 -4.93 117.46 123.82 1a01 n PHE 122 Ca 0.03 -3.03 -0.30 0.00 -0.76 0.00 0.00 57.45 53.39 1a01 n PHE 122 Cb 0.29 -2.00 0.10 0.00 0.35 0.00 0.00 39.48 38.22 1a01 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a01 s THR 123 N 0.61 2.79 0.22 -2.13 -4.23 -1.25 -4.70 115.64 106.94 1a01 s THR 123 Ca 0.40 0.26 -0.09 0.00 -1.18 0.00 0.00 61.69 61.08 1a01 s THR 123 Cb 0.04 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 71.06 1a01 s THR 123 CO 0.01 -0.33 1.70 -0.65 -0.54 0.00 0.00 174.62 174.80 1a01 h PRO 124 N -1.19 0.25 -0.49 3.99 0.11 -1.94 0.28 132.00 133.02 1a01 h PRO 124 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1a01 h PRO 124 Cb 1.29 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1a01 h PRO 124 CO 0.60 0.17 -0.05 -1.35 -0.21 0.00 0.00 178.00 177.16 1a01 h PRO 125 N 0.26 0.85 -0.30 1.05 0.11 -1.99 -0.91 132.00 131.06 1a01 h PRO 125 Ca 0.34 -0.26 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 1a01 h PRO 125 Cb 0.53 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1a01 h PRO 125 CO -0.44 0.88 -0.02 0.28 -0.21 0.00 0.00 178.00 178.50 1a01 h VAL 126 N 0.78 1.26 -0.17 3.15 2.07 -1.59 -2.25 116.25 119.51 1a01 h VAL 126 Ca 0.14 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1a01 h VAL 126 Cb 0.54 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1a01 h VAL 126 CO 0.03 0.32 -0.04 -0.61 0.02 0.00 0.00 177.57 177.28 1a01 h GLN 127 N 0.34 -0.00 -0.81 1.57 4.15 -0.27 -1.75 115.11 118.33 1a01 h GLN 127 Ca 0.08 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.62 1a01 h GLN 127 Cb 0.47 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.08 1a01 h GLN 127 CO 0.02 -0.00 0.43 0.00 -1.93 0.00 0.00 178.83 177.35 1a01 h ALA 128 N 1.16 1.19 -0.49 3.38 0.00 -0.94 0.22 119.26 123.78 1a01 h ALA 128 Ca 0.08 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1a01 h ALA 128 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1a01 h ALA 128 CO -0.17 -0.02 0.23 0.00 0.00 0.00 0.00 179.25 179.29 1a01 h ALA 129 N 1.50 0.63 -0.24 0.00 0.00 -1.00 -2.26 119.26 117.90 1a01 h ALA 129 Ca 0.42 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1a01 h ALA 129 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1a01 h ALA 129 CO -0.31 0.20 -0.23 1.88 0.00 0.00 0.00 179.25 180.80 1a01 h TYR 130 N 0.65 0.50 -0.58 0.00 0.05 -0.38 -2.42 116.97 114.80 1a01 h TYR 130 Ca 0.17 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.86 1a01 h TYR 130 Cb 0.13 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1a01 h TYR 130 CO -0.01 0.64 0.37 1.96 -1.05 0.00 0.00 178.16 180.08 1a01 h GLN 131 N 0.40 0.74 -0.37 4.88 1.08 -0.32 0.77 115.11 122.29 1a01 h GLN 131 Ca 0.06 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1a01 h GLN 131 Cb 0.62 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1a01 h GLN 131 CO 0.04 0.49 0.19 0.87 -0.95 0.00 0.00 178.83 179.47 1a01 h LYS 132 N 0.76 0.53 -0.15 1.46 1.57 -1.10 -1.99 116.57 117.65 1a01 h LYS 132 Ca 0.22 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1a01 h LYS 132 Cb -0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1a01 h LYS 132 CO -0.06 0.46 0.09 0.28 -0.57 0.00 0.00 179.45 179.65 1a01 h VAL 133 N 0.46 1.05 -0.32 0.50 2.07 -1.11 0.15 116.25 119.05 1a01 h VAL 133 Ca 0.13 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 1a01 h VAL 133 Cb 0.10 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1a01 h VAL 133 CO -0.02 0.05 -0.08 -0.37 0.02 0.00 0.00 177.57 177.17 1a01 h VAL 134 N 0.19 1.22 -0.38 2.57 -1.51 -0.78 -0.49 116.25 117.07 1a01 h VAL 134 Ca 0.05 -0.94 -0.15 0.00 -1.23 0.00 0.00 66.70 64.43 1a01 h VAL 134 Cb -0.00 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.21 1a01 h VAL 134 CO -0.01 0.31 -0.36 0.00 -1.23 0.00 0.00 177.57 176.28 1a01 h ALA 135 N 1.43 0.63 -0.16 5.19 0.00 -1.03 -1.62 119.26 123.71 1a01 h ALA 135 Ca 0.10 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1a01 h ALA 135 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1a01 h ALA 135 CO 0.02 0.67 0.01 0.78 0.00 0.00 0.00 179.25 180.73 1a01 h GLY 136 N 0.83 0.15 0.97 0.00 0.00 -0.01 -0.37 103.07 104.63 1a01 h GLY 136 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1a01 h GLY 136 CO 0.09 -0.02 0.15 -2.08 0.00 0.00 0.00 176.54 174.68 1a01 h VAL 137 N 0.06 1.22 -0.62 4.60 2.07 -1.08 0.02 116.25 122.53 1a01 h VAL 137 Ca 0.07 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1a01 h VAL 137 Cb 0.08 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1a01 h VAL 137 CO -0.12 0.27 0.38 0.00 0.02 0.00 0.00 177.57 178.13 1a01 h ALA 138 N 1.01 0.79 -0.25 1.67 0.00 -1.02 -0.31 119.26 121.15 1a01 h ALA 138 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1a01 h ALA 138 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a01 h ALA 138 CO -0.01 0.25 0.12 -0.91 0.00 0.00 0.00 179.25 178.70 1a01 h ASN 139 N 0.84 0.32 -0.90 0.00 2.35 -0.87 -1.76 115.58 115.56 1a01 h ASN 139 Ca 0.22 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1a01 h ASN 139 Cb -0.05 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 1a01 h ASN 139 CO -0.04 0.35 0.60 0.00 -1.65 0.00 0.00 177.43 176.68 1a01 h ALA 140 N 0.98 1.38 0.00 -0.83 0.00 -0.46 -1.43 119.26 118.90 1a01 h ALA 140 Ca 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1a01 h ALA 140 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1a01 h ALA 140 CO -0.01 0.56 -0.23 -0.07 0.00 0.00 0.00 179.25 179.49 1a01 h LEU 141 N 1.19 0.00 0.00 0.00 3.38 -0.84 -3.13 115.31 115.91 1a01 h LEU 141 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1a01 h LEU 141 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1a01 h LEU 141 CO -0.08 0.23 -0.70 0.00 0.09 0.00 0.00 178.44 177.98 1a01 n ALA 142 N -2.19 3.64 -0.34 1.53 0.00 -0.68 -4.44 120.51 118.03 1a01 n ALA 142 Ca 0.01 -0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.16 1a01 n ALA 142 Cb 0.51 -1.04 0.26 0.00 0.00 0.00 0.00 19.45 19.18 1a01 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a01 h HIS 143 N 0.00 1.00 -0.50 0.00 6.17 -1.22 -2.61 115.15 118.00 1a01 h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1a01 h HIS 143 Cb 0.57 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.20 1a01 h HIS 143 CO 0.00 0.29 0.00 1.63 0.71 0.00 0.00 177.93 180.56 1a01 n LYS 144 N -4.75 2.22 -2.15 5.26 4.76 -1.26 -4.95 118.16 117.30 1a01 n LYS 144 Ca 0.20 -1.89 -0.38 0.00 -2.87 0.00 0.00 58.31 53.37 1a01 n LYS 144 Cb 0.45 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1a01 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1a01 s TYR 145 N -1.34 2.76 0.00 2.13 1.51 -0.99 -4.76 117.35 116.66 1a01 s TYR 145 Ca 0.36 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.91 1a01 s TYR 145 Cb 0.19 -3.49 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 1a01 s TYR 145 CO 0.25 -1.83 0.00 -2.39 -1.11 0.00 0.00 175.55 170.48