#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abw s HIS 2 N 0.00 3.39 0.01 2.03 2.46 -1.26 -4.52 115.29 117.40 1abw s HIS 2 Ca 0.00 1.43 0.09 0.00 0.47 0.00 0.00 55.06 57.05 1abw s HIS 2 Cb 0.00 -3.18 -0.02 0.00 -0.13 0.00 0.00 32.58 29.24 1abw s HIS 2 CO 0.00 -0.37 -0.26 -0.51 -2.47 0.00 0.00 174.74 171.13 1abw s LEU 3 N 2.68 2.11 0.76 8.88 1.43 -1.26 -5.13 118.68 128.16 1abw s LEU 3 Ca 0.43 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1abw s LEU 3 Cb -0.16 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.80 1abw s LEU 3 CO 0.10 0.29 1.08 0.42 0.23 0.00 0.00 176.35 178.47 1abw s THR 4 N -0.71 3.46 0.25 5.49 -4.23 -1.26 -4.74 115.64 113.90 1abw s THR 4 Ca 0.11 0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 61.06 1abw s THR 4 Cb -0.10 -3.06 0.23 0.00 1.34 0.00 0.00 72.50 70.91 1abw s THR 4 CO 0.01 -0.62 1.73 -0.65 -0.54 0.00 0.00 174.62 174.55 1abw h PRO 5 N -1.04 0.46 -0.49 3.99 0.10 -2.00 -0.69 132.00 132.33 1abw h PRO 5 Ca -0.44 -0.03 -0.06 0.00 0.10 0.00 0.00 66.00 65.57 1abw h PRO 5 Cb 1.23 -0.10 -0.02 0.00 0.10 0.00 0.00 31.00 32.21 1abw h PRO 5 CO 0.54 0.31 0.06 0.93 0.10 0.00 0.00 178.00 179.93 1abw h GLU 6 N 0.48 0.77 -0.33 1.05 5.08 -1.99 -1.35 114.58 118.29 1abw h GLU 6 Ca 0.43 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.45 1abw h GLU 6 Cb 0.66 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1abw h GLU 6 CO -0.40 0.74 -0.45 0.93 -1.00 0.00 0.00 179.01 178.83 1abw h GLU 7 N 0.74 0.86 -0.26 2.33 5.08 -1.58 -1.09 114.58 120.66 1abw h GLU 7 Ca 0.15 -0.49 -0.18 0.00 -1.00 0.00 0.00 59.36 57.84 1abw h GLU 7 Cb 0.36 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1abw h GLU 7 CO 0.01 1.13 -0.54 -0.22 -1.00 0.00 0.00 179.01 178.39 1abw h LYS 8 N 0.69 0.82 -0.03 2.33 3.64 -0.99 -2.44 116.57 120.59 1abw h LYS 8 Ca 0.04 -0.54 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 1abw h LYS 8 Cb 1.04 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1abw h LYS 8 CO 0.10 1.17 -0.42 0.66 -2.27 0.00 0.00 179.45 178.69 1abw h SER 9 N 0.58 0.06 -0.34 4.20 4.64 -1.22 -0.93 113.55 120.54 1abw h SER 9 Ca 0.01 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1abw h SER 9 Cb 1.15 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1abw h SER 9 CO 0.12 0.47 0.09 0.00 -0.87 0.00 0.00 176.83 176.64 1abw h ALA 10 N 1.53 0.44 0.02 5.18 0.00 -1.08 -0.13 119.26 125.24 1abw h ALA 10 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1abw h ALA 10 Cb 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1abw h ALA 10 CO 0.06 0.10 -0.01 0.28 0.00 0.00 0.00 179.25 179.67 1abw h VAL 11 N 0.39 1.13 0.00 0.00 2.07 -1.17 -2.69 116.25 115.98 1abw h VAL 11 Ca 0.11 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1abw h VAL 11 Cb 0.28 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1abw h VAL 11 CO -0.00 0.12 -0.00 0.74 0.02 0.00 0.00 177.57 178.45 1abw h THR 12 N -0.24 1.16 -0.80 2.57 2.02 -1.16 -1.11 112.91 115.34 1abw h THR 12 Ca -0.00 -0.47 0.10 0.00 0.77 0.00 0.00 66.41 66.80 1abw h THR 12 Cb 0.22 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 1abw h THR 12 CO 0.01 0.12 0.44 0.00 0.37 0.00 0.00 175.52 176.46 1abw h ALA 13 N 0.79 1.14 -0.23 6.16 0.00 -1.06 -2.46 119.26 123.60 1abw h ALA 13 Ca -0.00 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1abw h ALA 13 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1abw h ALA 13 CO 0.00 0.05 -0.46 1.25 0.00 0.00 0.00 179.25 180.09 1abw h LEU 14 N 0.74 0.80 -2.35 0.00 7.12 -1.30 -3.17 115.31 117.13 1abw h LEU 14 Ca 0.39 -0.55 -0.01 0.00 0.13 0.00 0.00 57.88 57.85 1abw h LEU 14 Cb 0.38 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.28 1abw h LEU 14 CO -0.26 1.20 -0.03 -0.25 -0.13 0.00 0.00 178.44 178.97 1abw h TRP 15 N 0.43 0.00 0.00 1.25 2.91 -0.75 -1.80 115.95 117.99 1abw h TRP 15 Ca 0.01 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1abw h TRP 15 Cb 1.07 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.72 1abw h TRP 15 CO 0.08 0.03 -0.07 0.78 -1.03 0.00 0.00 178.44 178.24 1abw h GLY 16 N 0.23 0.00 -1.27 2.65 0.00 -1.45 -1.93 103.07 101.31 1abw h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1abw h GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1abw n LYS 17 N -3.28 2.02 -3.14 4.80 5.02 -0.68 -4.92 118.16 117.98 1abw n LYS 17 Ca -0.01 -1.49 -0.40 0.00 -2.02 0.00 0.00 58.31 54.39 1abw n LYS 17 Cb 0.26 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 1abw n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1abw s VAL 18 N -1.95 5.06 -0.68 -0.18 1.01 -0.73 -5.00 120.40 117.92 1abw s VAL 18 Ca 0.33 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 1abw s VAL 18 Cb 0.20 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.72 1abw s VAL 18 CO 0.31 0.18 0.96 0.21 0.00 0.00 0.00 175.10 176.77 1abw s ASN 19 N 1.00 6.22 0.32 3.32 3.84 -1.26 -4.92 114.94 123.46 1abw s ASN 19 Ca 0.30 -1.14 0.08 0.00 0.21 0.00 0.00 52.86 52.31 1abw s ASN 19 Cb -0.16 -2.41 0.81 0.00 -0.55 0.00 0.00 41.25 38.94 1abw s ASN 19 CO 0.12 -1.38 1.77 0.58 -2.79 0.00 0.00 177.10 175.40 1abw h VAL 20 N 5.96 0.66 -0.05 -5.21 2.07 -1.94 -0.46 116.25 117.29 1abw h VAL 20 Ca -0.24 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1abw h VAL 20 Cb 1.07 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1abw h VAL 20 CO 1.17 0.13 0.03 0.44 0.02 0.00 0.00 177.57 179.35 1abw h ASP 21 N 0.69 0.05 -0.14 0.57 3.32 -1.91 0.11 116.42 119.11 1abw h ASP 21 Ca 0.59 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.56 1abw h ASP 21 Cb 1.01 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1abw h ASP 21 CO -0.38 0.08 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.09 1abw h GLU 22 N 0.02 0.29 -0.09 3.56 4.81 -1.76 -2.83 114.58 118.59 1abw h GLU 22 Ca 0.02 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 1abw h GLU 22 Cb 0.03 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1abw h GLU 22 CO -0.00 0.59 -0.53 0.28 -0.73 0.00 0.00 179.01 178.61 1abw h VAL 23 N -0.03 1.36 -0.34 0.32 2.07 -1.09 -2.61 116.25 115.92 1abw h VAL 23 Ca 0.03 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.69 1abw h VAL 23 Cb 0.49 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1abw h VAL 23 CO 0.02 0.54 0.02 1.23 0.02 0.00 0.00 177.57 179.40 1abw h GLY 24 N 1.37 0.64 1.43 2.17 0.00 -0.82 -0.73 103.07 107.14 1abw h GLY 24 Ca 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 1abw h GLY 24 CO 0.08 0.42 -0.21 -1.33 0.00 0.00 0.00 176.54 175.50 1abw h GLY 25 N 0.41 0.72 0.84 4.60 0.00 -1.47 -1.95 103.07 106.23 1abw h GLY 25 Ca 0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1abw h GLY 25 CO 0.01 0.54 -0.12 0.83 0.00 0.00 0.00 176.54 177.80 1abw h GLU 26 N 0.59 -0.32 -0.34 4.80 4.39 -1.27 -1.31 114.58 121.13 1abw h GLU 26 Ca 0.09 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1abw h GLU 26 Cb 0.68 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1abw h GLU 26 CO 0.05 -0.09 0.19 0.00 -1.16 0.00 0.00 179.01 178.00 1abw h ALA 27 N 0.22 0.43 -0.51 3.43 0.00 -1.09 -0.14 119.26 121.60 1abw h ALA 27 Ca -0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1abw h ALA 27 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1abw h ALA 27 CO 0.06 -0.05 -0.16 1.25 0.00 0.00 0.00 179.25 180.34 1abw h LEU 28 N 0.43 1.01 0.00 0.00 5.85 -1.41 -0.88 115.31 120.31 1abw h LEU 28 Ca 0.12 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1abw h LEU 28 Cb 0.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1abw h LEU 28 CO -0.02 1.15 -0.00 1.23 -0.34 0.00 0.00 178.44 180.46 1abw h GLY 29 N 0.91 -0.00 1.58 3.75 0.00 -1.01 -2.20 103.07 106.12 1abw h GLY 29 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1abw h GLY 29 CO 0.06 -0.00 0.06 3.21 0.00 0.00 0.00 176.54 179.86 1abw h ARG 30 N -0.06 0.53 -0.59 4.80 3.08 -0.95 -1.99 114.38 119.20 1abw h ARG 30 Ca -0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1abw h ARG 30 Cb 0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1abw h ARG 30 CO 0.00 0.51 0.34 1.25 -1.07 0.00 0.00 179.97 181.01 1abw h LEU 31 N 0.52 0.71 -1.27 3.04 5.85 -0.80 0.33 115.31 123.70 1abw h LEU 31 Ca 0.12 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1abw h LEU 31 Cb 0.24 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1abw h LEU 31 CO 0.00 0.57 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.27 1abw h LEU 32 N 0.79 0.00 0.00 2.25 4.07 -0.97 -0.73 115.31 120.72 1abw h LEU 32 Ca 0.21 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.07 1abw h LEU 32 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1abw h LEU 32 CO -0.04 0.33 -0.55 0.58 -1.08 0.00 0.00 178.44 177.68 1abw h VAL 33 N 0.00 1.28 -0.22 1.22 2.07 -0.76 -3.25 116.25 116.58 1abw h VAL 33 Ca -0.00 -2.17 -0.11 0.00 0.82 0.00 0.00 66.70 65.24 1abw h VAL 33 Cb 0.69 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1abw h VAL 33 CO 0.04 0.43 -0.34 0.58 0.02 0.00 0.00 177.57 178.31 1abw h VAL 34 N -1.00 1.29 -2.63 2.57 2.07 -0.39 -3.34 116.25 114.82 1abw h VAL 34 Ca -0.15 -1.43 -0.60 0.00 0.82 0.00 0.00 66.70 65.34 1abw h VAL 34 Cb 1.07 1.49 -0.41 0.00 -1.52 0.00 0.00 31.29 31.92 1abw h VAL 34 CO -0.09 0.45 -0.75 -1.22 0.02 0.00 0.00 177.57 175.98 1abw n TYR 35 N -4.07 1.75 0.32 1.57 4.01 -0.28 -4.99 117.16 115.47 1abw n TYR 35 Ca -0.01 -3.92 0.19 0.00 -0.16 0.00 0.00 57.90 53.99 1abw n TYR 35 Cb 0.46 -0.33 0.99 0.00 -0.31 0.00 0.00 39.34 40.15 1abw n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1abw h PRO 36 N 5.13 0.00 0.00 -0.72 0.13 -1.69 -1.55 132.00 133.30 1abw h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1abw h PRO 36 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1abw h PRO 36 CO 0.61 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.71 1abw n TRP 37 N -3.10 0.77 0.56 1.56 2.14 -1.26 -1.30 117.44 116.81 1abw n TRP 37 Ca -0.02 0.33 0.10 0.00 2.07 0.00 0.00 57.50 59.99 1abw n TRP 37 Cb 0.24 -1.04 0.43 0.00 -0.81 0.00 0.00 31.31 30.13 1abw n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1abw n THR 38 N -2.23 0.74 0.51 -1.67 -2.24 -0.58 -2.63 114.28 106.18 1abw n THR 38 Ca 0.01 0.14 0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1abw n THR 38 Cb 0.16 -0.92 0.42 0.00 -2.10 0.00 0.00 70.33 67.89 1abw n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1abw n GLN 39 N -1.81 0.10 0.33 -0.78 6.02 -0.42 -3.05 117.38 117.77 1abw n GLN 39 Ca 0.04 0.30 0.22 0.00 -0.01 0.00 0.00 57.00 57.54 1abw n GLN 39 Cb 0.24 -1.67 1.17 0.00 1.02 0.00 0.00 30.24 31.00 1abw n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1abw h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.72 -1.04 114.38 110.63 1abw h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1abw h ARG 40 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1abw h ARG 40 CO 0.00 0.00 -0.37 1.19 0.10 0.00 0.00 179.97 180.89 1abw n PHE 41 N -3.16 0.00 -2.12 4.08 3.72 -1.17 -4.45 117.46 114.36 1abw n PHE 41 Ca -0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.28 1abw n PHE 41 Cb 0.08 -0.10 0.07 0.00 -0.94 0.00 0.00 39.48 38.59 1abw n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1abw n PHE 42 N -0.63 1.53 -0.13 1.38 3.72 -0.40 -4.83 117.46 118.11 1abw n PHE 42 Ca 0.10 -1.86 0.18 0.00 -0.05 0.00 0.00 57.45 55.82 1abw n PHE 42 Cb 0.37 -0.28 0.57 0.00 -0.94 0.00 0.00 39.48 39.20 1abw n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1abw h GLU 43 N 1.86 0.27 -0.08 -1.08 4.39 -1.78 -0.54 114.58 117.62 1abw h GLU 43 Ca 0.12 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1abw h GLU 43 Cb 1.39 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1abw h GLU 43 CO 0.40 0.18 0.00 0.43 -1.16 0.00 0.00 179.01 178.86 1abw n SER 44 N -4.44 0.85 -0.01 1.42 7.64 -1.26 -3.94 113.62 113.87 1abw n SER 44 Ca 0.14 -1.57 0.14 0.00 1.01 0.00 0.00 58.87 58.59 1abw n SER 44 Cb 0.60 -0.05 0.59 0.00 -1.01 0.00 0.00 64.21 64.34 1abw n SER 44 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1abw n PHE 45 N -0.22 0.00 0.00 1.43 3.01 -0.21 -5.03 117.46 116.44 1abw n PHE 45 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1abw n PHE 45 Cb 0.20 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1abw n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1abw n GLY 46 N 1.45 0.91 3.60 1.37 0.00 -1.25 -4.73 105.19 106.53 1abw n GLY 46 Ca 0.09 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 1abw n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1abw s ASP 47 N -4.00 6.68 -0.07 1.61 2.15 -1.26 -4.85 116.67 116.93 1abw s ASP 47 Ca 0.00 0.55 0.10 0.00 0.43 0.00 0.00 52.55 53.64 1abw s ASP 47 Cb 0.00 -2.49 0.16 0.00 -0.30 0.00 0.00 42.92 40.29 1abw s ASP 47 CO 0.00 -0.95 1.06 0.18 -0.17 0.00 0.00 175.17 175.28 1abw n LEU 48 N 7.02 1.44 -0.16 -1.34 4.77 -1.26 -4.07 117.00 123.40 1abw n LEU 48 Ca 0.08 -2.16 -0.09 0.00 -0.03 0.00 0.00 56.01 53.81 1abw n LEU 48 Cb 0.48 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1abw n LEU 48 CO 0.61 0.51 0.87 0.77 -1.33 0.00 0.00 177.39 178.82 1abw h SER 49 N 0.00 0.71 -2.92 -1.43 4.64 -1.92 -3.44 113.55 109.19 1abw h SER 49 Ca 0.00 -0.24 -0.52 0.00 -0.47 0.00 0.00 61.79 60.56 1abw h SER 49 Cb 1.09 -0.19 -0.15 0.00 -0.31 0.00 0.00 62.40 62.84 1abw h SER 49 CO 0.00 0.77 -0.75 0.42 -0.87 0.00 0.00 176.83 176.39 1abw s THR 50 N -5.26 2.02 0.30 2.95 -4.23 -1.26 -5.01 115.64 105.15 1abw s THR 50 Ca -0.13 -2.23 0.06 0.00 -1.18 0.00 0.00 61.69 58.21 1abw s THR 50 Cb 0.11 -2.10 0.30 0.00 1.34 0.00 0.00 72.50 72.14 1abw s THR 50 CO 0.79 -0.47 1.76 -0.65 -0.54 0.00 0.00 174.62 175.50 1abw h PRO 51 N 2.58 0.68 0.00 3.99 0.11 -1.99 0.24 132.00 137.61 1abw h PRO 51 Ca -0.40 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 1abw h PRO 51 Cb 1.23 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1abw h PRO 51 CO 0.59 0.45 -0.65 -0.44 -0.21 0.00 0.00 178.00 177.74 1abw h ASP 52 N 0.70 0.00 -0.16 -2.05 5.19 -1.97 0.11 116.42 118.24 1abw h ASP 52 Ca 0.59 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.97 1abw h ASP 52 Cb 0.98 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 1abw h ASP 52 CO -0.41 0.65 -0.02 0.00 -3.12 0.00 0.00 179.24 176.34 1abw h ALA 53 N 1.35 0.21 -0.15 3.45 0.00 -0.96 -2.69 119.26 120.46 1abw h ALA 53 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1abw h ALA 53 Cb 1.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1abw h ALA 53 CO 0.08 -0.06 0.01 0.28 0.00 0.00 0.00 179.25 179.57 1abw h VAL 54 N 0.01 1.24 0.00 0.00 2.07 -0.75 -2.34 116.25 116.48 1abw h VAL 54 Ca 0.04 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1abw h VAL 54 Cb 0.42 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1abw h VAL 54 CO 0.01 0.23 -0.09 0.24 0.02 0.00 0.00 177.57 177.98 1abw h MET 55 N 0.02 0.00 -0.01 1.57 2.07 -1.02 -2.87 114.93 114.68 1abw h MET 55 Ca 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1abw h MET 55 Cb 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.07 1abw h MET 55 CO 0.01 0.09 -0.17 0.41 1.07 0.00 0.00 176.91 178.31 1abw n GLY 56 N -0.60 -0.05 3.64 8.32 0.00 -1.02 -4.92 105.19 110.57 1abw n GLY 56 Ca -0.02 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1abw n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1abw s ASN 57 N -1.50 6.23 0.47 1.61 3.84 -0.88 -4.88 114.94 119.84 1abw s ASN 57 Ca 0.13 2.18 0.18 0.00 0.21 0.00 0.00 52.86 55.56 1abw s ASN 57 Cb 0.11 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.46 1abw s ASN 57 CO 0.28 -1.29 2.01 1.55 -2.79 0.00 0.00 177.10 176.85 1abw h PRO 58 N 11.51 0.22 -0.04 0.43 0.13 -1.91 -2.24 132.00 140.10 1abw h PRO 58 Ca -0.42 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 1abw h PRO 58 Cb 1.21 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1abw h PRO 58 CO 0.96 0.15 -0.65 0.87 -0.23 0.00 0.00 178.00 179.10 1abw h LYS 59 N 0.23 0.17 -0.12 0.86 1.57 -1.89 -0.50 116.57 116.88 1abw h LYS 59 Ca 0.24 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1abw h LYS 59 Cb 0.62 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1abw h LYS 59 CO -0.04 0.76 -0.04 0.28 -0.57 0.00 0.00 179.45 179.83 1abw h VAL 60 N 0.12 1.30 -0.31 0.50 2.07 -1.73 -0.01 116.25 118.18 1abw h VAL 60 Ca -0.01 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1abw h VAL 60 Cb 1.16 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1abw h VAL 60 CO 0.10 0.29 0.20 0.11 0.02 0.00 0.00 177.57 178.29 1abw h LYS 61 N -0.08 0.40 -0.75 1.57 1.57 -1.38 0.24 116.57 118.14 1abw h LYS 61 Ca 0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1abw h LYS 61 Cb 0.47 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 1abw h LYS 61 CO 0.01 0.26 0.49 0.00 -0.57 0.00 0.00 179.45 179.65 1abw h ALA 62 N 1.12 0.95 -0.23 3.86 0.00 -0.98 -1.86 119.26 122.13 1abw h ALA 62 Ca 0.12 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1abw h ALA 62 Cb -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1abw h ALA 62 CO -0.04 0.35 -0.49 1.25 0.00 0.00 0.00 179.25 180.32 1abw h HIS 63 N 1.00 0.94 -0.74 0.00 -0.00 -0.59 -2.86 115.15 112.91 1abw h HIS 63 Ca 0.28 -0.35 0.04 0.00 -0.00 0.00 0.00 60.37 60.34 1abw h HIS 63 Cb -0.10 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.09 1abw h HIS 63 CO -0.02 1.14 0.49 0.78 -0.00 0.00 0.00 177.93 180.32 1abw h GLY 64 N 0.47 1.02 1.26 5.26 0.00 -0.28 0.02 103.07 110.82 1abw h GLY 64 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1abw h GLY 64 CO 0.11 0.29 0.10 1.70 0.00 0.00 0.00 176.54 178.74 1abw h LYS 65 N 0.87 0.92 -0.21 4.80 3.64 -1.24 -0.47 116.57 124.88 1abw h LYS 65 Ca 0.30 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1abw h LYS 65 Cb 0.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1abw h LYS 65 CO -0.09 0.85 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.64 1abw h LYS 66 N 0.87 0.43 0.15 1.90 3.64 -1.09 -0.66 116.57 121.81 1abw h LYS 66 Ca 0.18 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1abw h LYS 66 Cb 0.37 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1abw h LYS 66 CO 0.01 0.70 -0.07 0.28 -2.27 0.00 0.00 179.45 178.09 1abw h VAL 67 N 0.14 0.92 0.00 2.00 2.07 -0.78 -1.98 116.25 118.62 1abw h VAL 67 Ca 0.05 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1abw h VAL 67 Cb 0.56 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1abw h VAL 67 CO 0.03 0.07 -0.27 -0.07 0.02 0.00 0.00 177.57 177.35 1abw h LEU 68 N -0.33 0.00 -0.05 2.57 3.38 -1.12 -1.47 115.31 118.28 1abw h LEU 68 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1abw h LEU 68 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1abw h LEU 68 CO 0.03 0.27 0.03 1.23 0.09 0.00 0.00 178.44 180.09 1abw h GLY 69 N 1.92 0.07 1.57 0.83 0.00 -0.91 0.23 103.07 106.78 1abw h GLY 69 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1abw h GLY 69 CO 0.03 0.03 -0.22 0.00 0.00 0.00 0.00 176.54 176.38 1abw h ALA 70 N 0.98 1.12 -0.49 3.60 0.00 -0.88 -2.10 119.26 121.48 1abw h ALA 70 Ca 0.02 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1abw h ALA 70 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1abw h ALA 70 CO -0.00 0.55 0.11 0.35 0.00 0.00 0.00 179.25 180.26 1abw h PHE 71 N 0.45 0.83 -0.78 0.00 3.04 -0.98 -2.40 116.94 117.11 1abw h PHE 71 Ca 0.07 -0.10 0.05 0.00 3.98 0.00 0.00 57.97 61.97 1abw h PHE 71 Cb 0.63 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.85 1abw h PHE 71 CO 0.02 0.75 0.48 0.77 -2.02 0.00 0.00 178.31 178.30 1abw h SER 72 N 0.68 0.75 -0.95 0.41 0.02 0.10 -1.26 113.55 113.29 1abw h SER 72 Ca 0.15 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1abw h SER 72 Cb 0.34 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 1abw h SER 72 CO 0.00 0.50 0.62 0.44 -1.14 0.00 0.00 176.83 177.25 1abw h ASP 73 N 0.89 0.98 0.34 3.07 3.32 -1.08 -1.80 116.42 122.14 1abw h ASP 73 Ca 0.33 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 1abw h ASP 73 Cb 0.11 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1abw h ASP 73 CO -0.15 0.63 -0.30 1.23 -1.72 0.00 0.00 179.24 178.93 1abw h GLY 74 N 1.11 0.00 1.76 2.75 0.00 -0.75 -2.54 103.07 105.40 1abw h GLY 74 Ca 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 1abw h GLY 74 CO -0.15 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.76 1abw h LEU 75 N 0.00 0.28 0.00 3.11 -0.00 -0.96 -0.90 115.31 116.84 1abw h LEU 75 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1abw h LEU 75 Cb 0.55 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1abw h LEU 75 CO 0.04 0.37 0.00 0.00 -0.00 0.00 0.00 178.44 178.85 1abw n ALA 76 N -2.49 2.16 -2.53 1.53 0.00 -0.96 -3.47 120.51 114.75 1abw n ALA 76 Ca -0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1abw n ALA 76 Cb 0.22 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.30 1abw n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1abw n HIS 77 N -1.41 2.06 0.26 0.00 8.25 -0.36 -4.89 115.22 119.14 1abw n HIS 77 Ca 0.08 -2.61 0.16 0.00 -0.26 0.00 0.00 57.72 55.09 1abw n HIS 77 Cb 0.24 -0.26 0.88 0.00 1.12 0.00 0.00 29.99 31.98 1abw n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1abw h LEU 78 N 2.64 0.00 -0.64 2.41 4.07 -1.54 -1.28 115.31 120.97 1abw h LEU 78 Ca 0.08 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.94 1abw h LEU 78 Cb 1.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1abw h LEU 78 CO 0.56 0.00 -0.48 0.44 -1.08 0.00 0.00 178.44 177.88 1abw h ASP 79 N 0.00 0.00 -2.26 -0.43 3.32 -1.89 -3.32 116.42 111.84 1abw h ASP 79 Ca 0.03 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.50 1abw h ASP 79 Cb 0.19 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.34 1abw h ASP 79 CO -0.00 0.48 -0.94 -3.20 -1.72 0.00 0.00 179.24 173.86 1abw n ASN 80 N -3.48 0.72 -0.13 6.45 5.15 -0.49 -2.58 115.26 120.90 1abw n ASN 80 Ca 0.00 -2.74 -0.11 0.00 -0.60 0.00 0.00 54.58 51.13 1abw n ASN 80 Cb 0.60 -0.63 -0.02 0.00 -0.53 0.00 0.00 39.78 39.21 1abw n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1abw h LEU 81 N 4.71 0.77 -0.03 1.20 3.38 -1.74 -2.64 115.31 120.96 1abw h LEU 81 Ca 0.16 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1abw h LEU 81 Cb 0.85 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1abw h LEU 81 CO 0.51 0.97 -0.16 0.11 0.09 0.00 0.00 178.44 179.96 1abw h LYS 82 N 0.56 -0.24 -0.69 1.13 1.57 -1.90 -1.59 116.57 115.41 1abw h LYS 82 Ca 0.09 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1abw h LYS 82 Cb 0.65 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1abw h LYS 82 CO 0.04 -0.16 0.46 0.78 -0.57 0.00 0.00 179.45 180.00 1abw h GLY 83 N -0.25 0.98 1.03 3.86 0.00 -1.94 -2.00 103.07 104.74 1abw h GLY 83 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1abw h GLY 83 CO -0.18 0.36 0.41 -0.84 0.00 0.00 0.00 176.54 176.29 1abw h THR 84 N 0.94 1.25 -0.03 4.70 2.02 -1.19 -3.21 112.91 117.41 1abw h THR 84 Ca 0.25 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1abw h THR 84 Cb -0.10 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1abw h THR 84 CO -0.05 0.30 0.00 0.49 0.37 0.00 0.00 175.52 176.63 1abw n PHE 85 N -4.34 0.00 -0.24 3.16 3.72 -0.62 -4.60 117.46 114.54 1abw n PHE 85 Ca 0.08 -0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.52 1abw n PHE 85 Cb 0.13 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 38.83 1abw n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1abw h ALA 86 N 4.56 0.92 0.13 4.37 0.00 -1.36 0.54 119.26 128.41 1abw h ALA 86 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1abw h ALA 86 Cb 0.79 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1abw h ALA 86 CO 0.00 -0.29 -0.06 1.15 0.00 0.00 0.00 179.25 180.05 1abw h THR 87 N 0.32 0.98 -0.27 0.00 2.02 -1.84 -1.30 112.91 112.82 1abw h THR 87 Ca 0.39 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1abw h THR 87 Cb 0.62 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1abw h THR 87 CO -0.45 0.10 0.04 -0.07 0.37 0.00 0.00 175.52 175.51 1abw h LEU 88 N -0.37 0.35 0.12 2.58 3.38 -1.72 -1.42 115.31 118.23 1abw h LEU 88 Ca -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1abw h LEU 88 Cb 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1abw h LEU 88 CO 0.03 0.38 -0.06 -1.28 0.09 0.00 0.00 178.44 177.60 1abw h SER 89 N 0.38 -0.14 -0.47 -0.43 0.87 0.47 0.26 113.55 114.49 1abw h SER 89 Ca 0.09 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1abw h SER 89 Cb 0.19 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1abw h SER 89 CO -0.00 -0.08 0.24 -0.33 -0.53 0.00 0.00 176.83 176.13 1abw h GLU 90 N -0.18 0.71 -0.35 2.24 5.08 -0.97 -1.14 114.58 119.96 1abw h GLU 90 Ca -0.02 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 1abw h GLU 90 Cb 0.14 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1abw h GLU 90 CO 0.03 0.55 -0.18 1.25 -1.00 0.00 0.00 179.01 179.66 1abw h LEU 91 N 0.71 0.77 -1.16 1.33 5.85 -0.82 0.12 115.31 122.10 1abw h LEU 91 Ca 0.18 -0.41 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 1abw h LEU 91 Cb 0.08 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1abw h LEU 91 CO -0.02 1.01 -0.38 0.45 -0.34 0.00 0.00 178.44 179.16 1abw h HIS 92 N 0.52 0.08 0.00 1.25 3.86 -0.50 -1.76 115.15 118.61 1abw h HIS 92 Ca 0.08 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1abw h HIS 92 Cb 0.73 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1abw h HIS 92 CO 0.06 0.45 -0.03 0.00 0.86 0.00 0.00 177.93 179.27 1abw h ASP 94 N -0.82 0.63 0.00 0.00 3.32 -0.85 -2.85 116.42 115.85 1abw h ASP 94 Ca 0.00 -0.46 -0.37 0.00 0.02 0.00 0.00 57.03 56.22 1abw h ASP 94 Cb 0.03 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.33 1abw h ASP 94 CO 0.00 0.96 -2.41 0.29 -1.72 0.00 0.00 179.24 176.35 1abw n LYS 95 N -4.37 0.69 0.00 3.56 4.76 -0.96 -4.64 118.16 117.20 1abw n LYS 95 Ca -0.04 0.05 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1abw n LYS 95 Cb 0.42 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 31.98 1abw n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1abw n LEU 96 N -2.93 0.51 -3.55 -0.35 4.77 -0.70 -5.01 117.00 109.75 1abw n LEU 96 Ca -0.37 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.61 1abw n LEU 96 Cb 1.09 0.14 0.08 0.00 -2.33 0.00 0.00 43.42 42.40 1abw n LEU 96 CO 0.37 0.17 0.19 1.41 -1.33 0.00 0.00 177.39 178.19 1abw n HIS 97 N -2.72 -2.62 -3.15 -1.77 8.25 -0.28 -4.97 115.22 107.96 1abw n HIS 97 Ca -0.13 0.99 -0.41 0.00 -0.26 0.00 0.00 57.72 57.91 1abw n HIS 97 Cb 0.83 -5.03 -0.07 0.00 1.12 0.00 0.00 29.99 26.85 1abw n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1abw s VAL 98 N -3.34 4.95 0.11 1.59 1.01 -0.43 -5.02 120.40 119.27 1abw s VAL 98 Ca 0.37 0.68 -0.33 0.00 0.00 0.00 0.00 61.98 62.70 1abw s VAL 98 Cb -0.17 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.09 1abw s VAL 98 CO 0.73 -0.18 1.69 -0.67 0.00 0.00 0.00 175.10 176.68 1abw n ASP 99 N 5.87 3.42 0.31 3.32 -0.08 -1.26 -4.73 116.55 123.39 1abw n ASP 99 Ca -0.02 1.04 0.20 0.00 -1.51 0.00 0.00 54.79 54.50 1abw n ASP 99 Cb 0.49 -1.45 1.06 0.00 2.34 0.00 0.00 41.12 43.56 1abw n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1abw h PRO 100 N 7.08 0.00 -0.05 -0.67 0.11 -1.96 -1.34 132.00 135.17 1abw h PRO 100 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1abw h PRO 100 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1abw h PRO 100 CO 0.92 0.00 0.09 1.49 -0.21 0.00 0.00 178.00 180.29 1abw h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.98 -0.56 114.58 117.66 1abw h GLU 101 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1abw h GLU 101 Cb 0.10 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1abw h GLU 101 CO 0.00 0.00 -0.22 -0.91 -1.18 0.00 0.00 179.01 176.70 1abw h ASN 102 N 0.00 0.00 0.26 1.04 2.35 -1.61 -1.96 115.58 115.67 1abw h ASN 102 Ca 0.03 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 1abw h ASN 102 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1abw h ASN 102 CO -0.00 0.22 -0.56 -0.26 -1.65 0.00 0.00 177.43 175.19 1abw h PHE 103 N 0.00 0.39 -0.23 1.19 0.04 -1.30 -1.29 116.94 115.74 1abw h PHE 103 Ca -0.00 -0.14 -0.13 0.00 2.80 0.00 0.00 57.97 60.50 1abw h PHE 103 Cb 0.47 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 1abw h PHE 103 CO 0.00 0.79 -0.37 0.00 -0.60 0.00 0.00 178.31 178.13 1abw h ARG 104 N 0.24 0.66 -0.58 1.51 3.08 -1.43 -1.79 114.38 116.07 1abw h ARG 104 Ca 0.00 -0.40 -0.05 0.00 0.07 0.00 0.00 59.98 59.60 1abw h ARG 104 Cb 1.05 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1abw h ARG 104 CO 0.09 1.02 0.17 -0.07 -1.07 0.00 0.00 179.97 180.11 1abw h LEU 105 N 0.37 0.86 -1.26 3.04 3.38 -1.33 -1.64 115.31 118.73 1abw h LEU 105 Ca 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1abw h LEU 105 Cb 0.96 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1abw h LEU 105 CO 0.09 0.85 0.31 0.25 0.09 0.00 0.00 178.44 180.03 1abw h LEU 106 N 0.83 0.73 -0.52 1.67 5.85 -1.13 -2.03 115.31 120.71 1abw h LEU 106 Ca 0.19 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1abw h LEU 106 Cb 0.30 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1abw h LEU 106 CO -0.00 0.60 0.35 1.23 -0.34 0.00 0.00 178.44 180.28 1abw h GLY 107 N 0.90 0.74 0.93 3.75 0.00 -0.66 0.12 103.07 108.84 1abw h GLY 107 Ca 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1abw h GLY 107 CO -0.03 0.26 0.09 0.50 0.00 0.00 0.00 176.54 177.37 1abw h LYS 108 N 0.71 0.26 -0.42 4.80 1.57 -0.82 -2.13 116.57 120.53 1abw h LYS 108 Ca 0.19 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1abw h LYS 108 Cb -0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1abw h LYS 108 CO -0.05 0.28 0.21 0.28 -0.57 0.00 0.00 179.45 179.60 1abw h VAL 109 N 0.18 1.17 -0.97 0.50 2.07 -1.15 -1.87 116.25 116.18 1abw h VAL 109 Ca 0.06 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.15 1abw h VAL 109 Cb 0.10 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1abw h VAL 109 CO -0.01 0.19 0.63 0.25 0.02 0.00 0.00 177.57 178.65 1abw h LEU 110 N 0.54 1.01 -0.80 2.57 5.85 -0.58 0.25 115.31 124.16 1abw h LEU 110 Ca 0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1abw h LEU 110 Cb 0.11 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1abw h LEU 110 CO -0.02 0.66 0.38 0.58 -0.34 0.00 0.00 178.44 179.70 1abw h VAL 111 N 1.16 1.25 -0.57 1.05 2.07 -0.88 -0.18 116.25 120.16 1abw h VAL 111 Ca 0.41 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1abw h VAL 111 Cb 0.12 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1abw h VAL 111 CO -0.15 0.31 0.09 0.00 0.02 0.00 0.00 177.57 177.84 1abw h VAL 113 N 0.86 1.27 -0.45 0.00 2.07 -0.44 -0.38 116.25 119.18 1abw h VAL 113 Ca 0.18 -1.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 1abw h VAL 113 Cb 0.38 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1abw h VAL 113 CO 0.01 0.48 -0.01 -0.07 0.02 0.00 0.00 177.57 178.01 1abw h LEU 114 N 0.86 0.78 -0.61 2.57 3.38 -0.78 0.78 115.31 122.29 1abw h LEU 114 Ca 0.11 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1abw h LEU 114 Cb 0.81 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1abw h LEU 114 CO 0.07 0.90 0.29 0.00 0.09 0.00 0.00 178.44 179.79 1abw h ALA 115 N 0.91 0.78 -0.35 1.53 0.00 -1.19 -0.14 119.26 120.80 1abw h ALA 115 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1abw h ALA 115 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1abw h ALA 115 CO 0.02 0.36 0.15 1.25 0.00 0.00 0.00 179.25 181.03 1abw h HIS 116 N 0.83 0.53 -0.16 0.00 -0.00 -0.69 0.89 115.15 116.55 1abw h HIS 116 Ca 0.21 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.48 1abw h HIS 116 Cb 0.13 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1abw h HIS 116 CO 0.00 0.47 -0.14 1.25 -0.00 0.00 0.00 177.93 179.51 1abw h HIS 117 N 0.43 0.45 0.00 5.26 6.17 -0.69 -3.34 115.15 123.43 1abw h HIS 117 Ca 0.12 -0.13 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1abw h HIS 117 Cb 0.16 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 29.99 1abw h HIS 117 CO -0.01 0.75 -0.71 1.19 0.71 0.00 0.00 177.93 179.86 1abw n PHE 118 N -4.55 0.38 -0.08 5.26 3.72 -0.08 -5.04 117.46 117.08 1abw n PHE 118 Ca -0.06 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1abw n PHE 118 Cb 0.36 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1abw n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1abw n GLY 119 N 1.37 3.40 0.46 1.37 0.00 0.31 -2.37 105.19 109.73 1abw n GLY 119 Ca 0.03 -0.08 0.28 0.00 0.00 0.00 0.00 46.02 46.25 1abw n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1abw h LYS 120 N 0.00 0.08 0.00 1.61 3.64 -1.96 -1.08 116.57 118.86 1abw h LYS 120 Ca 0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1abw h LYS 120 Cb 0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1abw h LYS 120 CO 0.00 0.06 -0.19 1.49 -2.27 0.00 0.00 179.45 178.54 1abw h GLU 121 N 0.09 0.00 -4.50 1.90 4.81 -1.86 -3.30 114.58 111.71 1abw h GLU 121 Ca 0.46 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.98 1abw h GLU 121 Cb 1.68 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.97 1abw h GLU 121 CO -0.05 0.19 2.47 0.34 -0.73 0.00 0.00 179.01 181.23 1abw n PHE 122 N -4.26 3.90 -1.45 0.92 7.35 -0.41 -4.94 117.46 118.57 1abw n PHE 122 Ca -0.02 -2.95 -0.30 0.00 -0.76 0.00 0.00 57.45 53.42 1abw n PHE 122 Cb 0.25 -2.43 0.11 0.00 0.35 0.00 0.00 39.48 37.77 1abw n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1abw s THR 123 N 2.77 2.74 0.21 -2.13 -4.23 -1.25 -4.71 115.64 109.05 1abw s THR 123 Ca 0.47 0.24 -0.10 0.00 -1.18 0.00 0.00 61.69 61.12 1abw s THR 123 Cb 0.09 -2.91 0.17 0.00 1.34 0.00 0.00 72.50 71.18 1abw s THR 123 CO -0.02 -0.31 1.70 -0.65 -0.54 0.00 0.00 174.62 174.80 1abw h PRO 124 N -1.31 0.24 -0.21 3.99 0.11 -1.93 0.75 132.00 133.64 1abw h PRO 124 Ca -0.49 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1abw h PRO 124 Cb 1.29 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1abw h PRO 124 CO 0.58 0.16 -0.13 -1.35 -0.21 0.00 0.00 178.00 177.06 1abw h PRO 125 N 0.25 0.35 -0.31 1.05 0.11 -1.99 -0.83 132.00 130.63 1abw h PRO 125 Ca 0.32 -0.09 -0.18 0.00 0.11 0.00 0.00 66.00 66.16 1abw h PRO 125 Cb 0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 1abw h PRO 125 CO -0.41 0.48 -0.50 0.28 -0.21 0.00 0.00 178.00 177.64 1abw h VAL 126 N 0.33 1.27 -0.55 3.15 2.07 -1.64 -2.38 116.25 118.51 1abw h VAL 126 Ca 0.06 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 1abw h VAL 126 Cb 0.43 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1abw h VAL 126 CO 0.02 0.55 0.27 -0.61 0.02 0.00 0.00 177.57 177.83 1abw h GLN 127 N 0.68 0.78 -0.79 1.57 4.15 -0.47 -1.06 115.11 119.97 1abw h GLN 127 Ca 0.03 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.38 1abw h GLN 127 Cb 1.11 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.60 1abw h GLN 127 CO 0.11 0.64 0.52 0.00 -1.93 0.00 0.00 178.83 178.17 1abw h ALA 128 N 1.11 1.57 -0.37 3.38 0.00 -1.09 0.25 119.26 124.11 1abw h ALA 128 Ca 0.19 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1abw h ALA 128 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1abw h ALA 128 CO -0.03 0.33 -0.38 0.00 0.00 0.00 0.00 179.25 179.18 1abw h ALA 129 N 1.55 0.54 0.00 0.00 0.00 -0.92 -2.83 119.26 117.60 1abw h ALA 129 Ca 0.32 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1abw h ALA 129 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1abw h ALA 129 CO -0.10 0.64 -0.39 1.88 0.00 0.00 0.00 179.25 181.28 1abw h TYR 130 N 0.72 0.00 -0.41 0.00 0.05 -0.31 -2.58 116.97 114.44 1abw h TYR 130 Ca 0.06 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 1abw h TYR 130 Cb 0.97 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 1abw h TYR 130 CO 0.07 0.39 -0.14 1.96 -1.05 0.00 0.00 178.16 179.39 1abw h GLN 131 N 0.00 0.74 -0.55 4.88 1.08 -0.36 -1.31 115.11 119.59 1abw h GLN 131 Ca -0.00 -0.26 -0.10 0.00 -1.45 0.00 0.00 58.65 56.84 1abw h GLN 131 Cb 0.72 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 1abw h GLN 131 CO 0.05 0.85 -0.03 0.87 -0.95 0.00 0.00 178.83 179.61 1abw h LYS 132 N 0.67 0.98 -0.07 1.46 1.57 -1.25 -2.44 116.57 117.48 1abw h LYS 132 Ca 0.11 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1abw h LYS 132 Cb 0.62 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1abw h LYS 132 CO 0.04 0.98 -0.01 0.28 -0.57 0.00 0.00 179.45 180.17 1abw h VAL 133 N 0.89 1.28 -0.26 0.50 2.07 -1.21 -1.14 116.25 118.38 1abw h VAL 133 Ca 0.16 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 1abw h VAL 133 Cb 0.57 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1abw h VAL 133 CO 0.03 0.25 -0.27 -0.37 0.02 0.00 0.00 177.57 177.22 1abw h VAL 134 N -0.19 1.27 -0.65 2.57 -1.51 -1.27 -0.55 116.25 115.92 1abw h VAL 134 Ca 0.02 -1.33 -0.08 0.00 -1.23 0.00 0.00 66.70 64.08 1abw h VAL 134 Cb 0.40 1.37 -0.03 0.00 -2.13 0.00 0.00 31.29 30.90 1abw h VAL 134 CO 0.01 0.42 0.09 0.00 -1.23 0.00 0.00 177.57 176.86 1abw h ALA 135 N 1.25 0.93 -0.45 5.19 0.00 -1.43 -0.52 119.26 124.21 1abw h ALA 135 Ca 0.06 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1abw h ALA 135 Cb 0.72 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1abw h ALA 135 CO 0.05 0.66 -0.07 0.78 0.00 0.00 0.00 179.25 180.67 1abw h GLY 136 N 1.04 0.92 1.04 0.00 0.00 -0.76 -1.56 103.07 103.75 1abw h GLY 136 Ca 0.20 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1abw h GLY 136 CO 0.01 0.67 -0.08 -2.08 0.00 0.00 0.00 176.54 175.07 1abw h VAL 137 N 0.69 1.27 -0.64 4.60 2.07 -1.01 -0.01 116.25 123.22 1abw h VAL 137 Ca 0.12 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1abw h VAL 137 Cb 0.60 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1abw h VAL 137 CO 0.04 0.42 0.23 0.00 0.02 0.00 0.00 177.57 178.27 1abw h ALA 138 N 0.90 0.84 -0.43 1.67 0.00 -0.98 -0.67 119.26 120.59 1abw h ALA 138 Ca 0.13 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1abw h ALA 138 Cb 0.62 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1abw h ALA 138 CO 0.04 0.48 -0.10 -0.91 0.00 0.00 0.00 179.25 178.76 1abw h ASN 139 N 0.91 0.75 -0.11 0.00 -0.26 -1.07 -2.19 115.58 113.62 1abw h ASN 139 Ca 0.21 -0.22 -0.08 0.00 -0.56 0.00 0.00 56.30 55.65 1abw h ASN 139 Cb 0.25 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1abw h ASN 139 CO -0.01 0.88 -0.16 0.00 -1.06 0.00 0.00 177.43 177.08 1abw h ALA 140 N 1.19 1.22 0.00 -0.83 0.00 -0.56 -1.76 119.26 118.52 1abw h ALA 140 Ca 0.12 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1abw h ALA 140 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1abw h ALA 140 CO 0.04 0.50 -0.30 -0.07 0.00 0.00 0.00 179.25 179.42 1abw h LEU 141 N 0.44 0.00 0.00 0.00 3.38 -0.80 -3.21 115.31 115.12 1abw h LEU 141 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1abw h LEU 141 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1abw h LEU 141 CO 0.03 0.30 -0.73 0.00 0.09 0.00 0.00 178.44 178.13 1abw n ALA 142 N -2.18 3.64 -0.29 1.53 0.00 -0.85 -4.42 120.51 117.94 1abw n ALA 142 Ca 0.02 -0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.20 1abw n ALA 142 Cb 0.62 -1.03 0.38 0.00 0.00 0.00 0.00 19.45 19.42 1abw n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1abw h HIS 143 N 0.00 0.85 -0.47 0.00 6.17 -1.32 -2.49 115.15 117.89 1abw h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1abw h HIS 143 Cb 0.58 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1abw h HIS 143 CO 0.00 0.27 0.00 1.63 0.71 0.00 0.00 177.93 180.54 1abw n LYS 144 N -4.60 2.75 -2.60 5.26 4.76 -1.26 -4.94 118.16 117.53 1abw n LYS 144 Ca 0.19 -1.97 -0.37 0.00 -2.87 0.00 0.00 58.31 53.30 1abw n LYS 144 Cb 0.52 -1.63 -0.05 0.00 -1.84 0.00 0.00 35.03 32.03 1abw n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1abw s TYR 145 N -1.65 3.38 0.00 2.13 1.51 -0.94 -4.70 117.35 117.08 1abw s TYR 145 Ca 0.35 1.68 0.00 0.00 -1.01 0.00 0.00 57.07 58.09 1abw s TYR 145 Cb 0.22 -3.09 0.00 0.00 -0.11 0.00 0.00 41.96 38.98 1abw s TYR 145 CO 0.19 -0.43 0.00 -2.39 -1.11 0.00 0.00 175.55 171.81