#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abw n HIS 2 N 0.00 0.00 -3.65 1.12 -0.00 -1.26 -5.09 115.22 106.34 1abw n HIS 2 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1abw n HIS 2 Cb 0.00 -0.56 -0.07 0.00 -0.00 0.00 0.00 29.99 29.37 1abw n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1abw s LEU 3 N 0.00 -0.29 0.71 2.41 1.43 -1.26 -5.08 118.68 116.61 1abw s LEU 3 Ca 0.00 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 1abw s LEU 3 Cb 0.00 1.47 0.02 0.00 0.03 0.00 0.00 46.19 47.71 1abw s LEU 3 CO 0.00 -0.08 1.10 0.42 0.23 0.00 0.00 176.35 178.01 1abw s THR 4 N 0.74 3.49 0.33 5.49 -4.23 -1.26 -4.77 115.64 115.44 1abw s THR 4 Ca -0.03 0.48 0.11 0.00 -1.18 0.00 0.00 61.69 61.08 1abw s THR 4 Cb -0.04 -3.46 0.33 0.00 1.34 0.00 0.00 72.50 70.67 1abw s THR 4 CO -0.12 -0.63 1.75 -0.65 -0.54 0.00 0.00 174.62 174.43 1abw h PRO 5 N -0.68 0.57 -0.18 3.99 0.11 -2.02 -0.74 132.00 133.05 1abw h PRO 5 Ca -0.45 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1abw h PRO 5 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1abw h PRO 5 CO 0.63 0.38 -0.45 1.05 -0.21 0.00 0.00 178.00 179.40 1abw h GLU 6 N 0.59 0.43 -0.29 1.05 9.09 -1.99 -2.27 114.58 121.19 1abw h GLU 6 Ca 0.61 -0.23 -0.16 0.00 0.05 0.00 0.00 59.36 59.63 1abw h GLU 6 Cb 1.19 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1abw h GLU 6 CO -0.40 0.80 -0.45 0.93 0.05 0.00 0.00 179.01 179.93 1abw h GLU 7 N 0.35 0.82 -0.80 1.06 5.08 -1.53 -1.42 114.58 118.16 1abw h GLU 7 Ca 0.02 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1abw h GLU 7 Cb 0.93 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1abw h GLU 7 CO 0.08 1.13 0.41 0.87 -1.00 0.00 0.00 179.01 180.49 1abw h LYS 8 N 0.59 1.13 -0.42 2.33 1.57 -1.16 -1.37 116.57 119.24 1abw h LYS 8 Ca 0.03 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 1abw h LYS 8 Cb 1.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1abw h LYS 8 CO 0.10 0.86 -0.28 0.77 -0.57 0.00 0.00 179.45 180.33 1abw h SER 9 N 1.12 0.95 -0.50 0.86 0.02 -1.31 -1.18 113.55 113.50 1abw h SER 9 Ca 0.28 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1abw h SER 9 Cb 0.08 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1abw h SER 9 CO -0.04 1.16 0.30 0.00 -1.14 0.00 0.00 176.83 177.11 1abw h ALA 10 N 0.90 0.64 0.56 3.77 0.00 -0.93 -0.37 119.26 123.84 1abw h ALA 10 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1abw h ALA 10 Cb 0.85 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1abw h ALA 10 CO 0.07 0.14 -0.27 0.28 0.00 0.00 0.00 179.25 179.47 1abw h VAL 11 N 0.67 0.45 -0.49 0.00 2.07 -1.07 -2.68 116.25 115.21 1abw h VAL 11 Ca 0.18 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.72 1abw h VAL 11 Cb 0.00 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1abw h VAL 11 CO -0.03 0.00 0.26 0.74 0.02 0.00 0.00 177.57 178.56 1abw h THR 12 N -0.76 0.98 -0.31 2.57 2.02 -1.17 -1.37 112.91 114.87 1abw h THR 12 Ca -0.08 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1abw h THR 12 Cb 0.58 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1abw h THR 12 CO 0.13 0.09 0.17 0.00 0.37 0.00 0.00 175.52 176.28 1abw h ALA 13 N 1.25 0.39 -0.27 6.16 0.00 -1.02 -1.78 119.26 123.98 1abw h ALA 13 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1abw h ALA 13 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1abw h ALA 13 CO -0.14 -0.21 -0.41 1.25 0.00 0.00 0.00 179.25 179.75 1abw h LEU 14 N 0.35 0.69 -1.75 0.00 5.85 -1.30 -2.73 115.31 116.42 1abw h LEU 14 Ca 0.13 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1abw h LEU 14 Cb 0.03 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1abw h LEU 14 CO -0.08 1.02 -0.08 -0.25 -0.34 0.00 0.00 178.44 178.71 1abw h TRP 15 N 0.53 0.00 0.00 1.25 2.91 -0.87 -1.81 115.95 117.96 1abw h TRP 15 Ca 0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1abw h TRP 15 Cb 0.93 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 1abw h TRP 15 CO 0.04 0.08 0.00 0.78 -1.03 0.00 0.00 178.44 178.31 1abw h GLY 16 N 1.40 0.00 -1.73 2.65 0.00 -1.00 -1.96 103.07 102.43 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 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1abw n LYS 17 N -2.85 2.23 -3.03 4.80 5.02 -0.68 -4.95 118.16 118.69 1abw n LYS 17 Ca 0.01 -1.83 -0.40 0.00 -2.02 0.00 0.00 58.31 54.07 1abw n LYS 17 Cb 0.26 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.75 4.99 -0.66 -0.18 1.01 -0.74 -5.00 120.40 118.07 1abw s VAL 18 Ca 0.34 1.40 -0.26 0.00 0.00 0.00 0.00 61.98 63.46 1abw s VAL 18 Cb 0.21 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1abw s VAL 18 CO 0.30 0.14 1.16 0.21 0.00 0.00 0.00 175.10 176.91 1abw s ASN 19 N 1.04 6.25 0.30 3.32 3.84 -1.26 -4.88 114.94 123.54 1abw s ASN 19 Ca 0.34 -0.40 0.02 0.00 0.21 0.00 0.00 52.86 53.03 1abw s ASN 19 Cb -0.17 -2.52 0.57 0.00 -0.55 0.00 0.00 41.25 38.58 1abw s ASN 19 CO 0.13 -1.61 1.86 0.58 -2.79 0.00 0.00 177.10 175.28 1abw h VAL 20 N 6.05 0.96 -0.17 -5.21 2.07 -1.94 -1.52 116.25 116.49 1abw h VAL 20 Ca -0.27 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1abw h VAL 20 Cb 1.06 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1abw h VAL 20 CO 1.22 0.18 -0.02 0.44 0.02 0.00 0.00 177.57 179.40 1abw h ASP 21 N 0.99 0.32 0.16 0.57 5.19 -1.91 0.82 116.42 122.56 1abw h ASP 21 Ca 0.46 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1abw h ASP 21 Cb 0.42 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1abw h ASP 21 CO -0.22 0.59 -0.08 -0.08 -3.12 0.00 0.00 179.24 176.33 1abw h GLU 22 N 0.05 -0.21 -0.16 3.56 4.81 -1.91 -2.07 114.58 118.65 1abw h GLU 22 Ca 0.05 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1abw h GLU 22 Cb 0.44 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1abw h GLU 22 CO 0.01 -0.01 -0.09 0.28 -0.73 0.00 0.00 179.01 178.48 1abw h VAL 23 N -0.38 1.16 -0.18 0.32 2.07 -1.31 -1.05 116.25 116.88 1abw h VAL 23 Ca -0.02 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1abw h VAL 23 Cb 0.30 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1abw h VAL 23 CO 0.04 0.22 -0.00 1.23 0.02 0.00 0.00 177.57 179.07 1abw h GLY 24 N 0.67 0.35 1.20 2.17 0.00 -0.66 0.84 103.07 107.64 1abw h GLY 24 Ca 0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 1abw h GLY 24 CO 0.02 0.24 -0.07 -1.33 0.00 0.00 0.00 176.54 175.40 1abw h GLY 25 N 0.07 1.02 0.96 4.60 0.00 -1.09 -1.67 103.07 106.95 1abw h GLY 25 Ca 0.05 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 1abw h GLY 25 CO 0.01 0.71 0.05 -2.09 0.00 0.00 0.00 176.54 175.22 1abw h GLU 26 N 0.86 0.74 -0.25 4.80 4.57 -1.00 -0.68 114.58 123.61 1abw h GLU 26 Ca 0.15 -0.21 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 1abw h GLU 26 Cb 0.60 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1abw h GLU 26 CO 0.04 0.78 -0.34 0.00 -1.18 0.00 0.00 179.01 178.31 1abw h ALA 27 N 0.93 0.38 -0.17 2.92 0.00 -0.73 -0.72 119.26 121.86 1abw h ALA 27 Ca 0.13 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1abw h ALA 27 Cb 0.41 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1abw h ALA 27 CO 0.01 0.43 -0.59 1.25 0.00 0.00 0.00 179.25 180.36 1abw h LEU 28 N 0.39 0.64 -0.10 0.00 5.85 -1.30 -1.21 115.31 119.59 1abw h LEU 28 Ca 0.03 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1abw h LEU 28 Cb 0.92 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1abw h LEU 28 CO 0.08 1.08 0.03 1.23 -0.34 0.00 0.00 178.44 180.52 1abw h GLY 29 N 1.04 0.17 1.57 3.75 0.00 -1.10 -2.16 103.07 106.33 1abw h GLY 29 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1abw h GLY 29 CO 0.11 0.09 0.04 3.21 0.00 0.00 0.00 176.54 179.99 1abw h ARG 30 N -0.03 0.55 -0.23 4.80 3.08 -1.09 -1.39 114.38 120.07 1abw h ARG 30 Ca 0.03 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1abw h ARG 30 Cb 0.22 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1abw h ARG 30 CO -0.00 0.55 0.10 1.25 -1.07 0.00 0.00 179.97 180.80 1abw h LEU 31 N 0.53 0.15 -1.47 3.04 5.85 -1.01 0.50 115.31 122.89 1abw h LEU 31 Ca 0.12 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1abw h LEU 31 Cb 0.28 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1abw h LEU 31 CO 0.00 0.12 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.91 1abw h LEU 32 N 0.23 0.00 0.00 2.25 4.07 -0.97 -1.54 115.31 119.35 1abw h LEU 32 Ca 0.10 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 1abw h LEU 32 Cb 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1abw h LEU 32 CO -0.08 0.24 -0.44 0.58 -1.08 0.00 0.00 178.44 177.67 1abw h VAL 33 N 0.00 1.28 -0.23 1.22 2.07 -0.81 -3.30 116.25 116.49 1abw h VAL 33 Ca -0.00 -2.13 -0.12 0.00 0.82 0.00 0.00 66.70 65.27 1abw h VAL 33 Cb 0.56 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1abw h VAL 33 CO 0.03 0.43 -0.37 0.58 0.02 0.00 0.00 177.57 178.27 1abw h VAL 34 N -1.00 1.29 -2.64 2.57 2.07 0.00 -3.35 116.25 115.20 1abw h VAL 34 Ca -0.12 -1.49 -0.60 0.00 0.82 0.00 0.00 66.70 65.31 1abw h VAL 34 Cb 1.00 1.52 -0.41 0.00 -1.52 0.00 0.00 31.29 31.88 1abw h VAL 34 CO -0.07 0.47 -0.73 -1.22 0.02 0.00 0.00 177.57 176.04 1abw n TYR 35 N -4.05 1.95 -0.08 1.57 4.01 -0.58 -5.00 117.16 114.98 1abw n TYR 35 Ca -0.01 -3.97 0.26 0.00 -0.16 0.00 0.00 57.90 54.02 1abw n TYR 35 Cb 0.48 -0.37 0.69 0.00 -0.31 0.00 0.00 39.34 39.84 1abw n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1abw h PRO 36 N 5.10 0.00 0.00 -0.72 0.11 -1.70 -1.82 132.00 132.96 1abw h PRO 36 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1abw h PRO 36 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1abw h PRO 36 CO 0.63 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.53 1abw h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -1.46 115.95 113.32 1abw h TRP 37 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.33 1abw h TRP 37 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.95 1abw h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1abw n THR 38 N -2.83 0.61 0.36 0.12 -2.24 -0.68 -2.67 114.28 106.95 1abw n THR 38 Ca -0.01 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 1abw n THR 38 Cb 0.14 -0.81 0.56 0.00 -2.10 0.00 0.00 70.33 68.12 1abw n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1abw h GLN 39 N 0.00 0.00 -0.82 -0.78 4.20 -1.48 -3.25 115.11 112.97 1abw h GLN 39 Ca 0.00 0.00 0.24 0.00 0.06 0.00 0.00 58.65 58.95 1abw h GLN 39 Cb 0.34 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1abw h GLN 39 CO 0.00 0.00 0.65 0.07 -0.67 0.00 0.00 178.83 178.88 1abw h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.72 0.50 114.38 114.73 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 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1abw h ARG 40 CO 0.00 0.00 -0.42 1.19 0.10 0.00 0.00 179.97 180.84 1abw n PHE 41 N -4.07 0.00 -1.54 4.08 3.72 -1.23 -4.44 117.46 113.99 1abw n PHE 41 Ca 0.17 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.56 1abw n PHE 41 Cb 0.95 -0.20 0.20 0.00 -0.94 0.00 0.00 39.48 39.48 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 -1.21 0.68 0.27 1.38 3.72 0.17 -4.75 117.46 117.72 1abw n PHE 42 Ca 0.08 -1.60 0.15 0.00 -0.05 0.00 0.00 57.45 56.04 1abw n PHE 42 Cb 0.34 -0.39 0.76 0.00 -0.94 0.00 0.00 39.48 39.25 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 1.04 0.00 0.00 -1.08 5.08 -1.78 -1.63 114.58 116.21 1abw h GLU 43 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1abw h GLU 43 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1abw h GLU 43 CO 0.24 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 177.20 1abw n SER 44 N -3.33 0.73 0.21 1.42 3.41 -1.26 -3.44 113.62 111.36 1abw n SER 44 Ca -0.01 0.60 0.15 0.00 -0.26 0.00 0.00 58.87 59.35 1abw n SER 44 Cb 0.26 -0.79 0.60 0.00 -0.26 0.00 0.00 64.21 64.02 1abw n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1abw h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.67 -3.49 116.94 118.11 1abw h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1abw h PHE 45 Cb 0.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.17 1abw h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1abw n GLY 46 N 0.06 0.88 3.64 -1.45 0.00 -1.22 -4.70 105.19 102.39 1abw n GLY 46 Ca 0.01 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 6.60 -0.05 1.61 2.15 -1.26 -4.85 116.67 116.88 1abw s ASP 47 Ca 0.00 1.77 0.10 0.00 0.43 0.00 0.00 52.55 54.85 1abw s ASP 47 Cb 0.00 -2.53 0.18 0.00 -0.30 0.00 0.00 42.92 40.26 1abw s ASP 47 CO 0.00 -1.05 1.08 0.18 -0.17 0.00 0.00 175.17 175.21 1abw n LEU 48 N 7.63 0.93 0.13 -1.34 4.77 -1.26 -4.35 117.00 123.52 1abw n LEU 48 Ca 0.17 -1.89 0.02 0.00 -0.03 0.00 0.00 56.01 54.28 1abw n LEU 48 Cb 0.45 -0.14 0.38 0.00 -2.33 0.00 0.00 43.42 41.77 1abw n LEU 48 CO 0.62 0.49 0.84 0.77 -1.33 0.00 0.00 177.39 178.78 1abw h SER 49 N 0.26 0.18 -4.70 -1.43 4.64 -1.92 -3.44 113.55 107.14 1abw h SER 49 Ca -0.04 -0.04 -0.28 0.00 -0.47 0.00 0.00 61.79 60.95 1abw h SER 49 Cb 1.36 -0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 63.26 1abw h SER 49 CO 0.02 0.39 -0.65 0.42 -0.87 0.00 0.00 176.83 176.14 1abw s THR 50 N -4.58 0.53 0.27 2.95 -4.23 -1.26 -5.02 115.64 104.29 1abw s THR 50 Ca -0.05 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1abw s THR 50 Cb 0.15 -2.25 0.27 0.00 1.34 0.00 0.00 72.50 72.01 1abw s THR 50 CO 0.73 -0.34 1.90 -0.65 -0.54 0.00 0.00 174.62 175.73 1abw h PRO 51 N 2.64 1.18 -0.51 3.99 0.11 -1.99 -0.56 132.00 136.87 1abw h PRO 51 Ca -0.37 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1abw h PRO 51 Cb 1.22 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1abw h PRO 51 CO 0.61 0.78 0.12 -0.44 -0.21 0.00 0.00 178.00 178.86 1abw h ASP 52 N 1.21 0.78 -0.62 -2.05 3.32 -1.98 -1.02 116.42 116.06 1abw h ASP 52 Ca 0.41 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1abw h ASP 52 Cb 0.08 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1abw h ASP 52 CO -0.14 0.81 0.24 0.00 -1.72 0.00 0.00 179.24 178.42 1abw h ALA 53 N 1.00 0.81 -0.28 3.45 0.00 -1.73 -0.79 119.26 121.71 1abw h ALA 53 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1abw h ALA 53 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1abw h ALA 53 CO 0.00 0.44 0.08 0.28 0.00 0.00 0.00 179.25 180.04 1abw h VAL 54 N 0.87 1.21 -0.10 0.00 2.07 -0.91 -0.78 116.25 118.61 1abw h VAL 54 Ca 0.21 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1abw h VAL 54 Cb 0.22 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1abw h VAL 54 CO -0.01 0.22 -0.29 0.24 0.02 0.00 0.00 177.57 177.75 1abw h MET 55 N 0.29 0.19 -0.01 1.57 2.07 -0.99 -2.82 114.93 115.23 1abw h MET 55 Ca 0.09 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 1abw h MET 55 Cb 0.27 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.98 1abw h MET 55 CO -0.00 0.47 -0.26 0.41 1.07 0.00 0.00 176.91 178.60 1abw n GLY 56 N -0.52 -0.16 3.66 8.32 0.00 -0.32 -4.85 105.19 111.31 1abw n GLY 56 Ca -0.01 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.37 6.65 0.55 1.61 3.84 -0.31 -4.89 114.94 120.01 1abw s ASN 57 Ca 0.25 2.11 0.29 0.00 0.21 0.00 0.00 52.86 55.72 1abw s ASN 57 Cb 0.19 -2.53 1.59 0.00 -0.55 0.00 0.00 41.25 39.94 1abw s ASN 57 CO 0.49 -0.96 2.12 1.55 -2.79 0.00 0.00 177.10 177.51 1abw h PRO 58 N 9.60 0.00 -0.03 0.43 0.13 -1.90 -1.79 132.00 138.45 1abw h PRO 58 Ca -0.37 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.57 1abw h PRO 58 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1abw h PRO 58 CO 0.96 0.08 -0.71 0.87 -0.23 0.00 0.00 178.00 178.98 1abw h LYS 59 N 0.00 0.53 -0.37 0.86 6.56 -1.90 -1.07 116.57 121.17 1abw h LYS 59 Ca -0.00 -0.53 -0.01 0.00 -1.06 0.00 0.00 60.65 59.05 1abw h LYS 59 Cb 0.26 0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.04 1abw h LYS 59 CO 0.01 1.16 0.21 0.28 -2.06 0.00 0.00 179.45 179.06 1abw h VAL 60 N 0.10 1.14 -0.15 0.50 2.07 -1.77 0.11 116.25 118.25 1abw h VAL 60 Ca -0.08 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1abw h VAL 60 Cb 1.39 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1abw h VAL 60 CO 0.14 0.14 0.10 0.11 0.02 0.00 0.00 177.57 178.08 1abw h LYS 61 N 0.48 0.20 -0.72 1.57 1.57 -1.35 0.21 116.57 118.52 1abw h LYS 61 Ca 0.13 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1abw h LYS 61 Cb 0.04 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1abw h LYS 61 CO -0.02 0.15 0.46 0.00 -0.57 0.00 0.00 179.45 179.47 1abw h ALA 62 N 1.04 0.94 -0.38 3.86 0.00 -0.82 -1.32 119.26 122.57 1abw h ALA 62 Ca 0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1abw h ALA 62 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1abw h ALA 62 CO -0.01 0.27 -0.20 1.25 0.00 0.00 0.00 179.25 180.56 1abw h HIS 63 N 0.91 0.83 -0.81 0.00 -0.00 -0.54 -2.63 115.15 112.91 1abw h HIS 63 Ca 0.28 -0.18 0.04 0.00 -0.00 0.00 0.00 60.37 60.52 1abw h HIS 63 Cb -0.02 -0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 27.14 1abw h HIS 63 CO -0.03 0.87 0.51 0.78 -0.00 0.00 0.00 177.93 180.06 1abw h GLY 64 N 0.97 1.18 1.05 5.26 0.00 0.40 -0.17 103.07 111.76 1abw h GLY 64 Ca 0.10 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1abw h GLY 64 CO 0.05 0.31 0.11 0.50 0.00 0.00 0.00 176.54 177.51 1abw h LYS 65 N 0.98 1.04 -0.27 4.80 1.57 -1.15 -0.33 116.57 123.21 1abw h LYS 65 Ca 0.33 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1abw h LYS 65 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1abw h LYS 65 CO -0.13 0.96 0.06 -0.22 -0.57 0.00 0.00 179.45 179.56 1abw h LYS 66 N 0.95 0.43 -0.03 3.15 3.64 -1.04 0.11 116.57 123.78 1abw h LYS 66 Ca 0.19 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1abw h LYS 66 Cb 0.42 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1abw h LYS 66 CO 0.01 0.53 -0.01 0.28 -2.27 0.00 0.00 179.45 177.99 1abw h VAL 67 N 0.27 1.28 0.00 2.00 2.07 -0.95 -2.54 116.25 118.38 1abw h VAL 67 Ca 0.08 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1abw h VAL 67 Cb 0.29 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1abw h VAL 67 CO 0.00 0.23 -0.18 -0.07 0.02 0.00 0.00 177.57 177.57 1abw h LEU 68 N -0.28 0.00 -0.29 2.57 -0.00 -1.09 -2.02 115.31 114.19 1abw h LEU 68 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.84 1abw h LEU 68 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1abw h LEU 68 CO 0.00 0.18 -0.02 1.23 -0.00 0.00 0.00 178.44 179.83 1abw h GLY 69 N 2.29 0.57 1.44 0.83 0.00 -0.67 0.69 103.07 108.21 1abw h GLY 69 Ca -0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1abw h GLY 69 CO 0.02 0.40 -0.02 0.00 0.00 0.00 0.00 176.54 176.94 1abw h ALA 70 N 0.82 1.18 -0.34 3.60 0.00 -1.25 -0.56 119.26 122.70 1abw h ALA 70 Ca 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1abw h ALA 70 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1abw h ALA 70 CO 0.02 0.53 0.04 0.35 0.00 0.00 0.00 179.25 180.20 1abw h PHE 71 N 0.65 0.62 -0.22 0.00 3.57 -1.20 -2.03 116.94 118.32 1abw h PHE 71 Ca 0.13 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1abw h PHE 71 Cb 0.44 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1abw h PHE 71 CO 0.02 0.65 -0.03 1.03 -2.23 0.00 0.00 178.31 177.75 1abw h SER 72 N 0.40 -0.16 0.14 0.41 0.87 -0.41 -0.77 113.55 114.03 1abw h SER 72 Ca 0.10 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1abw h SER 72 Cb 0.38 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1abw h SER 72 CO 0.01 -0.05 -0.09 0.44 -0.53 0.00 0.00 176.83 176.61 1abw h ASP 73 N 0.03 0.00 1.41 6.23 3.32 -1.00 -1.61 116.42 124.79 1abw h ASP 73 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1abw h ASP 73 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1abw h ASP 73 CO -0.21 0.09 0.00 1.23 -1.72 0.00 0.00 179.24 178.64 1abw h GLY 74 N 0.36 0.00 2.00 2.75 0.00 -0.40 -2.93 103.07 104.85 1abw h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1abw h GLY 74 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.96 1abw h LEU 75 N 0.00 0.00 0.00 3.11 3.38 -0.84 -2.33 115.31 118.63 1abw h LEU 75 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1abw h LEU 75 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1abw h LEU 75 CO 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.30 1abw h ALA 76 N 2.28 0.85 -1.30 1.53 0.00 -1.62 -3.35 119.26 117.66 1abw h ALA 76 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1abw h ALA 76 Cb 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.90 1abw h ALA 76 CO 0.00 0.00 -0.82 0.72 0.00 0.00 0.00 179.25 179.15 1abw n HIS 77 N -2.36 2.96 0.30 0.00 8.25 -0.88 -4.86 115.22 118.63 1abw n HIS 77 Ca 0.04 -2.91 0.17 0.00 -0.26 0.00 0.00 57.72 54.76 1abw n HIS 77 Cb 0.45 -0.16 0.94 0.00 1.12 0.00 0.00 29.99 32.34 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 2.57 0.00 0.00 2.41 4.07 -1.70 -1.49 115.31 121.17 1abw h LEU 78 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1abw h LEU 78 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1abw h LEU 78 CO 0.77 0.03 -0.13 0.44 -1.08 0.00 0.00 178.44 178.47 1abw h ASP 79 N 0.00 0.00 -2.03 -0.43 3.32 -1.91 -2.78 116.42 112.58 1abw h ASP 79 Ca -0.00 -0.03 -0.50 0.00 0.02 0.00 0.00 57.03 56.51 1abw h ASP 79 Cb 0.10 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.25 1abw h ASP 79 CO 0.00 0.02 -1.13 -3.20 -1.72 0.00 0.00 179.24 173.21 1abw n ASN 80 N -2.41 1.12 -0.15 6.45 5.15 -0.57 -4.11 115.26 120.74 1abw n ASN 80 Ca 0.05 -3.03 -0.12 0.00 -0.60 0.00 0.00 54.58 50.87 1abw n ASN 80 Cb 0.45 -0.62 -0.01 0.00 -0.53 0.00 0.00 39.78 39.08 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 3.16 0.97 -0.82 1.20 3.38 -1.71 -2.53 115.31 118.97 1abw h LEU 81 Ca 0.10 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1abw h LEU 81 Cb 0.91 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1abw h LEU 81 CO 0.53 1.17 0.49 0.11 0.09 0.00 0.00 178.44 180.83 1abw h LYS 82 N 0.78 1.11 -0.53 1.13 1.57 -1.91 -1.48 116.57 117.24 1abw h LYS 82 Ca 0.10 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1abw h LYS 82 Cb 0.81 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1abw h LYS 82 CO 0.07 0.78 0.04 0.78 -0.57 0.00 0.00 179.45 180.55 1abw h GLY 83 N 1.12 0.98 1.69 3.86 0.00 -1.94 -1.84 103.07 106.94 1abw h GLY 83 Ca 0.29 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1abw h GLY 83 CO -0.05 0.64 -0.21 -0.84 0.00 0.00 0.00 176.54 176.08 1abw h THR 84 N 0.78 1.24 -0.51 4.70 2.02 -1.04 -3.19 112.91 116.91 1abw h THR 84 Ca 0.15 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1abw h THR 84 Cb 0.47 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1abw h THR 84 CO 0.02 0.34 0.00 0.49 0.37 0.00 0.00 175.52 176.74 1abw n PHE 85 N -4.17 0.67 -0.03 3.16 3.72 -0.59 -4.65 117.46 115.57 1abw n PHE 85 Ca -0.00 -0.45 -0.09 0.00 -0.05 0.00 0.00 57.45 56.86 1abw n PHE 85 Cb 0.35 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 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 3.30 0.13 -0.15 4.37 0.00 -1.32 0.19 119.26 125.79 1abw h ALA 86 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1abw h ALA 86 Cb 0.86 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1abw h ALA 86 CO 0.00 -0.45 -0.59 1.15 0.00 0.00 0.00 179.25 179.35 1abw h THR 87 N 0.04 1.34 -0.25 0.00 2.02 -1.83 -2.01 112.91 112.22 1abw h THR 87 Ca 0.08 -1.89 -0.09 0.00 0.77 0.00 0.00 66.41 65.28 1abw h THR 87 Cb 0.10 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1abw h THR 87 CO -0.14 0.58 -0.24 -0.07 0.37 0.00 0.00 175.52 176.02 1abw h LEU 88 N 0.36 0.47 0.02 2.58 3.38 -1.78 -0.55 115.31 119.79 1abw h LEU 88 Ca -0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1abw h LEU 88 Cb 1.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1abw h LEU 88 CO 0.11 0.71 -0.01 -1.28 0.09 0.00 0.00 178.44 178.06 1abw h SER 89 N 0.42 -0.02 -0.84 -0.43 0.87 -0.33 0.35 113.55 113.56 1abw h SER 89 Ca 0.06 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1abw h SER 89 Cb 0.64 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 1abw h SER 89 CO 0.05 0.08 0.55 -0.33 -0.53 0.00 0.00 176.83 176.64 1abw h GLU 90 N -0.12 1.11 -0.32 2.24 5.08 -1.12 -1.33 114.58 120.12 1abw h GLU 90 Ca -0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1abw h GLU 90 Cb 0.11 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1abw h GLU 90 CO 0.00 0.74 0.14 1.25 -1.00 0.00 0.00 179.01 180.14 1abw h LEU 91 N 1.14 0.44 -1.67 1.33 5.85 -0.85 0.14 115.31 121.68 1abw h LEU 91 Ca 0.31 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1abw h LEU 91 Cb -0.12 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1abw h LEU 91 CO -0.06 0.47 -0.18 0.45 -0.34 0.00 0.00 178.44 178.77 1abw h HIS 92 N 0.37 0.00 0.00 1.25 3.86 -0.42 -0.98 115.15 119.23 1abw h HIS 92 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1abw h HIS 92 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1abw h HIS 92 CO -0.01 0.18 -0.14 0.00 0.86 0.00 0.00 177.93 178.83 1abw h ASP 94 N -0.65 0.75 0.00 0.00 3.32 -0.80 -3.06 116.42 115.98 1abw h ASP 94 Ca 0.00 -0.28 -0.27 0.00 0.02 0.00 0.00 57.03 56.50 1abw h ASP 94 Cb 0.14 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 1abw h ASP 94 CO 0.00 0.98 -2.03 0.29 -1.72 0.00 0.00 179.24 176.77 1abw n LYS 95 N -4.10 0.45 0.06 3.56 4.76 -0.55 -4.69 118.16 117.64 1abw n LYS 95 Ca -0.00 0.10 0.04 0.00 -2.87 0.00 0.00 58.31 55.58 1abw n LYS 95 Cb 0.45 -1.36 -0.06 0.00 -1.84 0.00 0.00 35.03 32.23 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 -3.03 0.85 -3.59 -0.35 4.77 -0.48 -4.99 117.00 110.18 1abw n LEU 96 Ca -0.32 0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 55.81 1abw n LEU 96 Cb 0.84 0.03 0.07 0.00 -2.33 0.00 0.00 43.42 42.02 1abw n LEU 96 CO 0.18 0.03 0.10 1.41 -1.33 0.00 0.00 177.39 177.78 1abw n HIS 97 N -2.81 -2.29 -3.28 -1.77 8.25 0.77 -4.96 115.22 109.13 1abw n HIS 97 Ca -0.06 0.93 -0.40 0.00 -0.26 0.00 0.00 57.72 57.93 1abw n HIS 97 Cb 0.74 -4.79 -0.08 0.00 1.12 0.00 0.00 29.99 26.98 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 -3.42 5.10 0.15 1.59 1.01 0.38 -5.01 120.40 120.20 1abw s VAL 98 Ca 0.20 0.81 -0.31 0.00 0.00 0.00 0.00 61.98 62.67 1abw s VAL 98 Cb -0.09 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1abw s VAL 98 CO 0.76 0.12 1.60 -0.62 0.00 0.00 0.00 175.10 176.96 1abw s ASP 99 N 1.50 6.57 0.65 3.32 -1.08 -1.26 -4.73 116.67 121.63 1abw s ASP 99 Ca 0.20 2.62 0.37 0.00 -0.52 0.00 0.00 52.55 55.22 1abw s ASP 99 Cb -0.16 -2.59 2.07 0.00 -1.46 0.00 0.00 42.92 40.78 1abw s ASP 99 CO 0.09 -0.85 2.22 -0.65 0.52 0.00 0.00 175.17 176.50 1abw h PRO 100 N 7.08 0.00 -0.50 4.34 0.11 -1.96 -0.80 132.00 140.27 1abw h PRO 100 Ca -0.43 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.76 1abw h PRO 100 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1abw h PRO 100 CO 0.92 0.00 0.34 1.49 -0.21 0.00 0.00 178.00 180.54 1abw h GLU 101 N 0.00 0.34 -0.60 1.05 4.57 -1.98 -0.85 114.58 117.12 1abw h GLU 101 Ca 0.01 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1abw h GLU 101 Cb 0.22 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1abw h GLU 101 CO -0.00 0.22 0.40 -0.91 -1.18 0.00 0.00 179.01 177.54 1abw h ASN 102 N 0.35 0.51 -0.15 1.04 2.35 -1.51 -0.80 115.58 117.37 1abw h ASN 102 Ca 0.23 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1abw h ASN 102 Cb 0.44 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1abw h ASN 102 CO -0.05 0.33 -0.19 -0.26 -1.65 0.00 0.00 177.43 175.60 1abw h PHE 103 N 0.58 0.62 -0.19 1.19 0.04 -1.33 -1.33 116.94 116.52 1abw h PHE 103 Ca 0.26 -0.12 -0.16 0.00 2.80 0.00 0.00 57.97 60.75 1abw h PHE 103 Cb 0.28 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1abw h PHE 103 CO -0.00 0.72 -0.53 0.00 -0.60 0.00 0.00 178.31 177.90 1abw h ARG 104 N 0.51 0.56 -0.48 1.51 3.08 -1.16 -0.74 114.38 117.66 1abw h ARG 104 Ca 0.08 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.67 1abw h ARG 104 Cb 0.62 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1abw h ARG 104 CO 0.04 0.95 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.66 1abw h LEU 105 N 0.43 0.96 -0.55 3.04 3.38 -1.09 -1.76 115.31 119.72 1abw h LEU 105 Ca 0.01 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1abw h LEU 105 Cb 1.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1abw h LEU 105 CO 0.10 1.12 0.25 0.25 0.09 0.00 0.00 178.44 180.25 1abw h LEU 106 N 0.80 0.74 -0.55 1.67 5.85 -1.08 -2.20 115.31 120.53 1abw h LEU 106 Ca 0.12 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1abw h LEU 106 Cb 0.72 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1abw h LEU 106 CO 0.06 0.67 0.23 1.23 -0.34 0.00 0.00 178.44 180.29 1abw h GLY 107 N 0.75 0.77 0.96 3.75 0.00 -0.71 0.16 103.07 108.75 1abw h GLY 107 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1abw h GLY 107 CO -0.02 0.03 0.16 0.50 0.00 0.00 0.00 176.54 177.21 1abw h LYS 108 N 0.43 0.39 -0.67 4.80 1.57 -0.99 -1.96 116.57 120.14 1abw h LYS 108 Ca 0.27 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1abw h LYS 108 Cb 0.27 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1abw h LYS 108 CO -0.24 0.33 0.34 0.28 -0.57 0.00 0.00 179.45 179.59 1abw h VAL 109 N 0.34 1.22 -0.55 0.50 2.07 -1.10 -1.94 116.25 116.80 1abw h VAL 109 Ca 0.10 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.03 1abw h VAL 109 Cb 0.05 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1abw h VAL 109 CO -0.02 0.25 0.35 0.25 0.02 0.00 0.00 177.57 178.43 1abw h LEU 110 N 0.93 0.59 -0.62 2.57 5.85 -0.50 0.08 115.31 124.21 1abw h LEU 110 Ca 0.23 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1abw h LEU 110 Cb 0.09 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1abw h LEU 110 CO -0.03 0.42 0.38 0.58 -0.34 0.00 0.00 178.44 179.45 1abw h VAL 111 N 0.71 1.18 -0.63 1.05 2.07 -1.02 -0.28 116.25 119.33 1abw h VAL 111 Ca 0.21 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1abw h VAL 111 Cb -0.04 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 1abw h VAL 111 CO -0.07 0.18 0.22 0.00 0.02 0.00 0.00 177.57 177.93 1abw h VAL 113 N 0.91 1.26 -0.60 0.00 2.07 -0.27 -0.70 116.25 118.92 1abw h VAL 113 Ca 0.21 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 1abw h VAL 113 Cb 0.22 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1abw h VAL 113 CO -0.01 0.37 0.06 -0.07 0.02 0.00 0.00 177.57 177.94 1abw h LEU 114 N 0.82 0.95 -0.92 2.57 3.38 -0.85 -0.31 115.31 120.95 1abw h LEU 114 Ca 0.16 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1abw h LEU 114 Cb 0.45 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1abw h LEU 114 CO 0.02 0.97 -0.05 0.00 0.09 0.00 0.00 178.44 179.47 1abw h ALA 115 N 1.13 1.10 -0.16 1.53 0.00 -0.86 -0.39 119.26 121.62 1abw h ALA 115 Ca 0.18 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1abw h ALA 115 Cb 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1abw h ALA 115 CO 0.02 0.57 -0.44 1.25 0.00 0.00 0.00 179.25 180.64 1abw h HIS 116 N 0.69 0.74 -0.77 0.00 -0.00 -0.84 -0.25 115.15 114.73 1abw h HIS 116 Ca 0.13 -0.29 -0.05 0.00 -0.00 0.00 0.00 60.37 60.15 1abw h HIS 116 Cb 0.49 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 1abw h HIS 116 CO 0.02 1.06 0.27 1.25 -0.00 0.00 0.00 177.93 180.53 1abw h HIS 117 N 0.22 1.20 -0.00 5.26 6.17 -0.90 -3.32 115.15 123.78 1abw h HIS 117 Ca -0.01 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.96 1abw h HIS 117 Cb 1.06 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 30.63 1abw h HIS 117 CO 0.10 0.93 -0.79 1.19 0.71 0.00 0.00 177.93 180.07 1abw n PHE 118 N -4.26 0.00 -0.41 5.26 3.72 -0.17 -5.07 117.46 116.53 1abw n PHE 118 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1abw n PHE 118 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.41 3.06 0.33 1.37 0.00 -0.11 -1.97 105.19 109.28 1abw n GLY 119 Ca 0.04 -0.09 0.20 0.00 0.00 0.00 0.00 46.02 46.18 1abw n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1abw h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.21 116.57 118.10 1abw h LYS 120 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1abw h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1abw h LYS 120 CO 0.00 0.00 -0.09 1.49 -2.00 0.00 0.00 179.45 178.85 1abw h GLU 121 N 0.00 0.00 -4.31 0.07 4.81 -1.79 -3.32 114.58 110.04 1abw h GLU 121 Ca 0.00 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.49 1abw h GLU 121 Cb 0.20 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.42 1abw h GLU 121 CO 0.00 0.09 1.76 0.34 -0.73 0.00 0.00 179.01 180.48 1abw n PHE 122 N -3.21 4.10 -1.48 0.92 7.35 -0.09 -4.93 117.46 120.11 1abw n PHE 122 Ca 0.01 -3.09 -0.30 0.00 -0.76 0.00 0.00 57.45 53.32 1abw n PHE 122 Cb 0.38 -2.15 0.11 0.00 0.35 0.00 0.00 39.48 38.18 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 1.37 2.75 0.28 -2.13 -4.23 -1.25 -4.73 115.64 107.70 1abw s THR 123 Ca 0.43 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.19 1abw s THR 123 Cb 0.03 -2.94 0.28 0.00 1.34 0.00 0.00 72.50 71.22 1abw s THR 123 CO 0.00 -0.32 1.85 -0.65 -0.54 0.00 0.00 174.62 174.97 1abw h PRO 124 N -1.27 1.00 -0.17 3.99 0.11 -1.94 -0.66 132.00 133.05 1abw h PRO 124 Ca -0.48 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 1abw h PRO 124 Cb 1.29 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1abw h PRO 124 CO 0.59 0.66 -0.41 -1.35 -0.21 0.00 0.00 178.00 177.28 1abw h PRO 125 N 1.03 0.40 -0.48 1.05 0.11 -1.99 -1.72 132.00 130.40 1abw h PRO 125 Ca 0.48 -0.20 -0.07 0.00 0.11 0.00 0.00 66.00 66.32 1abw h PRO 125 Cb 0.42 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1abw h PRO 125 CO -0.24 0.74 0.01 0.28 -0.21 0.00 0.00 178.00 178.59 1abw h VAL 126 N 0.33 1.26 -0.39 3.15 2.07 -1.71 -2.07 116.25 118.90 1abw h VAL 126 Ca 0.03 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1abw h VAL 126 Cb 0.87 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1abw h VAL 126 CO 0.07 0.36 0.25 -0.61 0.02 0.00 0.00 177.57 177.67 1abw h GLN 127 N 0.69 0.50 -0.97 1.57 4.15 -0.99 -1.34 115.11 118.72 1abw h GLN 127 Ca 0.14 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.63 1abw h GLN 127 Cb 0.49 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.99 1abw h GLN 127 CO 0.02 0.33 0.60 0.00 -1.93 0.00 0.00 178.83 177.85 1abw h ALA 128 N 1.15 1.41 -0.31 3.38 0.00 -1.07 0.31 119.26 124.13 1abw h ALA 128 Ca 0.14 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1abw h ALA 128 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1abw h ALA 128 CO -0.04 0.25 -0.09 0.00 0.00 0.00 0.00 179.25 179.37 1abw h ALA 129 N 1.50 0.43 -0.07 0.00 0.00 -0.86 -2.70 119.26 117.57 1abw h ALA 129 Ca 0.46 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1abw h ALA 129 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1abw h ALA 129 CO -0.24 0.28 -0.27 1.88 0.00 0.00 0.00 179.25 180.89 1abw h TYR 130 N 0.39 0.12 -0.70 0.00 0.05 -0.39 -1.99 116.97 114.45 1abw h TYR 130 Ca 0.08 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.76 1abw h TYR 130 Cb 0.59 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.27 1abw h TYR 130 CO 0.05 0.38 0.15 1.96 -1.05 0.00 0.00 178.16 179.66 1abw h GLN 131 N 0.10 1.14 -0.42 4.88 1.08 -0.20 0.28 115.11 121.97 1abw h GLN 131 Ca 0.02 -0.28 -0.10 0.00 -1.45 0.00 0.00 58.65 56.83 1abw h GLN 131 Cb 0.54 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1abw h GLN 131 CO 0.04 1.01 -0.14 0.87 -0.95 0.00 0.00 178.83 179.67 1abw h LYS 132 N 1.07 0.78 -0.34 1.46 1.57 -1.14 -2.10 116.57 117.87 1abw h LYS 132 Ca 0.22 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1abw h LYS 132 Cb 0.40 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1abw h LYS 132 CO 0.01 0.87 -0.17 0.28 -0.57 0.00 0.00 179.45 179.86 1abw h VAL 133 N 0.70 1.29 0.00 0.50 2.07 -0.72 -1.50 116.25 118.58 1abw h VAL 133 Ca 0.11 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.24 1abw h VAL 133 Cb 0.62 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1abw h VAL 133 CO 0.04 0.42 -0.46 -0.37 0.02 0.00 0.00 177.57 177.22 1abw h VAL 134 N 0.48 1.27 -0.23 2.57 -1.51 -0.86 -0.97 116.25 117.01 1abw h VAL 134 Ca 0.07 -1.61 -0.19 0.00 -1.23 0.00 0.00 66.70 63.74 1abw h VAL 134 Cb 0.71 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1abw h VAL 134 CO 0.05 0.45 -0.61 0.00 -1.23 0.00 0.00 177.57 176.23 1abw h ALA 135 N 1.54 0.47 -0.22 5.19 0.00 -1.28 -1.98 119.26 122.98 1abw h ALA 135 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1abw h ALA 135 Cb 0.84 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1abw h ALA 135 CO 0.06 0.69 0.07 0.78 0.00 0.00 0.00 179.25 180.85 1abw h GLY 136 N 0.74 0.37 1.01 0.00 0.00 -1.02 -0.54 103.07 103.63 1abw h GLY 136 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1abw h GLY 136 CO 0.13 0.20 0.34 -2.08 0.00 0.00 0.00 176.54 175.13 1abw h VAL 137 N 0.19 1.23 -0.43 4.60 2.07 -1.17 -0.15 116.25 122.59 1abw h VAL 137 Ca 0.07 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1abw h VAL 137 Cb 0.23 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1abw h VAL 137 CO -0.00 0.27 -0.05 0.00 0.02 0.00 0.00 177.57 177.80 1abw h ALA 138 N 1.16 1.11 -0.41 1.67 0.00 -1.18 -1.39 119.26 120.22 1abw h ALA 138 Ca 0.24 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1abw h ALA 138 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1abw h ALA 138 CO -0.03 0.56 -0.16 -0.91 0.00 0.00 0.00 179.25 178.71 1abw h ASN 139 N 0.67 0.86 -0.64 0.00 2.35 -0.72 -2.34 115.58 115.76 1abw h ASN 139 Ca 0.13 -0.39 -0.05 0.00 -0.55 0.00 0.00 56.30 55.44 1abw h ASN 139 Cb 0.49 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1abw h ASN 139 CO 0.03 1.05 0.21 0.00 -1.65 0.00 0.00 177.43 177.07 1abw h ALA 140 N 0.83 0.83 0.00 -0.83 0.00 -0.77 -1.16 119.26 118.16 1abw h ALA 140 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1abw h ALA 140 Cb 0.71 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1abw h ALA 140 CO 0.05 0.49 -0.10 -0.07 0.00 0.00 0.00 179.25 179.62 1abw h LEU 141 N 0.91 0.00 0.00 0.00 3.38 -1.18 -2.90 115.31 115.52 1abw h LEU 141 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1abw h LEU 141 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1abw h LEU 141 CO -0.01 0.10 -0.89 0.00 0.09 0.00 0.00 178.44 177.72 1abw n ALA 142 N -2.16 4.01 -0.14 1.53 0.00 -0.89 -4.33 120.51 118.54 1abw n ALA 142 Ca 0.00 -0.48 0.17 0.00 0.00 0.00 0.00 53.44 53.13 1abw n ALA 142 Cb 0.34 -0.92 0.55 0.00 0.00 0.00 0.00 19.45 19.41 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 0.38 -0.37 0.00 6.17 -1.00 -2.30 115.15 118.03 1abw h HIS 143 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1abw h HIS 143 Cb 0.57 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.38 1abw h HIS 143 CO 0.00 0.14 0.00 1.63 0.71 0.00 0.00 177.93 180.41 1abw n LYS 144 N -4.45 2.25 -2.25 5.26 4.01 -1.26 -4.92 118.16 116.79 1abw n LYS 144 Ca 0.14 -1.90 -0.41 0.00 -0.51 0.00 0.00 58.31 55.63 1abw n LYS 144 Cb 0.57 -1.46 -0.03 0.00 -0.51 0.00 0.00 35.03 33.59 1abw n LYS 144 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1abw s TYR 145 N -1.52 3.26 0.00 2.13 1.51 -0.87 -4.73 117.35 117.13 1abw s TYR 145 Ca 0.37 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.88 1abw s TYR 145 Cb 0.21 -3.54 0.00 0.00 -0.11 0.00 0.00 41.96 38.51 1abw s TYR 145 CO 0.29 -1.48 0.00 -2.39 -1.11 0.00 0.00 175.55 170.86