#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j40 n HIS 2 N 0.00 -1.31 -3.26 3.52 -0.00 -1.26 -5.06 115.22 107.84 1j40 n HIS 2 Ca 0.00 -2.58 -0.39 0.00 -0.00 0.00 0.00 57.72 54.75 1j40 n HIS 2 Cb 0.00 0.78 -0.07 0.00 -0.00 0.00 0.00 29.99 30.70 1j40 n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1j40 s LEU 3 N -2.71 4.17 0.74 2.39 1.02 -1.26 -5.07 118.68 117.96 1j40 s LEU 3 Ca 0.27 0.69 -0.14 0.00 0.02 0.00 0.00 54.13 54.97 1j40 s LEU 3 Cb 0.36 -2.70 0.05 0.00 0.02 0.00 0.00 46.19 43.92 1j40 s LEU 3 CO -0.05 -0.14 1.17 0.28 0.02 0.00 0.00 176.35 177.63 1j40 s THR 4 N 1.45 2.51 0.24 5.49 -1.32 -1.26 -4.75 115.64 117.99 1j40 s THR 4 Ca 0.24 0.23 -0.05 0.00 -1.21 0.00 0.00 61.69 60.90 1j40 s THR 4 Cb -0.15 -2.72 0.20 0.00 -1.51 0.00 0.00 72.50 68.32 1j40 s THR 4 CO 0.10 -0.15 1.78 -0.65 -2.21 0.00 0.00 174.62 173.48 1j40 h PRO 5 N -0.48 0.62 -0.65 7.08 0.11 -1.99 0.66 132.00 137.34 1j40 h PRO 5 Ca -0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1j40 h PRO 5 Cb 1.28 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1j40 h PRO 5 CO 0.50 0.41 0.26 1.49 -0.21 0.00 0.00 178.00 180.45 1j40 h GLU 6 N 0.64 0.94 -0.41 1.05 4.22 -1.99 -1.70 114.58 117.32 1j40 h GLU 6 Ca 0.38 -0.15 -0.10 0.00 0.08 0.00 0.00 59.36 59.58 1j40 h GLU 6 Cb 0.43 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1j40 h GLU 6 CO -0.29 0.76 -0.12 0.93 -2.18 0.00 0.00 179.01 178.11 1j40 h GLU 7 N 0.93 0.81 -0.60 1.92 5.08 -1.59 -1.94 114.58 119.19 1j40 h GLU 7 Ca 0.22 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1j40 h GLU 7 Cb 0.17 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1j40 h GLU 7 CO -0.02 0.94 0.28 0.87 -1.00 0.00 0.00 179.01 180.08 1j40 h LYS 8 N 0.63 0.87 -0.33 2.33 1.57 -0.68 0.20 116.57 121.16 1j40 h LYS 8 Ca 0.10 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1j40 h LYS 8 Cb 0.66 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1j40 h LYS 8 CO 0.05 0.71 0.17 1.03 -0.57 0.00 0.00 179.45 180.84 1j40 h SER 9 N 0.82 0.26 -0.46 0.86 0.87 -1.23 -0.08 113.55 114.58 1j40 h SER 9 Ca 0.20 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1j40 h SER 9 Cb 0.14 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1j40 h SER 9 CO -0.02 0.19 0.12 0.00 -0.53 0.00 0.00 176.83 176.59 1j40 h ALA 10 N 1.17 0.61 -0.03 6.23 0.00 -1.10 -1.47 119.26 124.66 1j40 h ALA 10 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1j40 h ALA 10 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1j40 h ALA 10 CO -0.09 0.29 0.02 0.28 0.00 0.00 0.00 179.25 179.75 1j40 h VAL 11 N 0.62 1.08 -0.70 0.00 2.07 -0.70 -2.07 116.25 116.54 1j40 h VAL 11 Ca 0.15 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1j40 h VAL 11 Cb 0.31 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1j40 h VAL 11 CO -0.00 0.06 0.37 0.74 0.02 0.00 0.00 177.57 178.76 1j40 h THR 12 N -0.03 1.22 -0.26 2.57 2.02 -1.00 -1.16 112.91 116.27 1j40 h THR 12 Ca 0.01 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1j40 h THR 12 Cb 0.08 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1j40 h THR 12 CO -0.00 0.25 0.12 0.00 0.37 0.00 0.00 175.52 176.26 1j40 h ALA 13 N 1.18 0.34 -0.61 6.16 0.00 -1.16 -1.99 119.26 123.18 1j40 h ALA 13 Ca 0.25 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1j40 h ALA 13 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1j40 h ALA 13 CO -0.04 -0.09 0.09 1.25 0.00 0.00 0.00 179.25 180.46 1j40 h LEU 14 N 0.28 0.98 -1.30 0.00 5.85 -1.20 -2.93 115.31 117.01 1j40 h LEU 14 Ca 0.09 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1j40 h LEU 14 Cb 0.14 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1j40 h LEU 14 CO -0.01 1.00 -0.06 -0.25 -0.34 0.00 0.00 178.44 178.78 1j40 h TRP 15 N 0.93 0.42 -0.01 1.25 2.91 -0.95 -1.15 115.95 119.34 1j40 h TRP 15 Ca 0.19 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1j40 h TRP 15 Cb 0.44 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.97 1j40 h TRP 15 CO 0.03 0.47 0.03 0.78 -1.03 0.00 0.00 178.44 178.72 1j40 h GLY 16 N 0.79 0.00 -1.87 2.65 0.00 -1.17 -1.88 103.07 101.60 1j40 h GLY 16 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1j40 h GLY 16 CO 0.02 0.00 -0.02 0.28 0.00 0.00 0.00 176.54 176.82 1j40 n LYS 17 N -3.28 2.25 -2.35 4.80 5.02 -0.44 -4.96 118.16 119.20 1j40 n LYS 17 Ca -0.03 -1.88 -0.42 0.00 -2.02 0.00 0.00 58.31 53.97 1j40 n LYS 17 Cb 0.10 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1j40 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j40 s VAL 18 N -2.00 3.73 -0.46 -0.18 1.01 -0.71 -4.97 120.40 116.83 1j40 s VAL 18 Ca 0.27 1.30 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 1j40 s VAL 18 Cb 0.20 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1j40 s VAL 18 CO 0.31 0.13 1.78 0.21 0.00 0.00 0.00 175.10 177.53 1j40 s ASN 19 N 0.78 5.68 0.44 3.32 3.84 -1.26 -4.88 114.94 122.86 1j40 s ASN 19 Ca 0.58 0.85 0.30 0.00 0.21 0.00 0.00 52.86 54.80 1j40 s ASN 19 Cb -0.32 -2.53 1.25 0.00 -0.55 0.00 0.00 41.25 39.10 1j40 s ASN 19 CO 0.32 -1.96 1.89 -0.37 -2.79 0.00 0.00 177.10 174.19 1j40 h VAL 20 N 6.80 0.00 0.00 -5.21 -1.51 -1.96 -1.00 116.25 113.37 1j40 h VAL 20 Ca -0.30 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1j40 h VAL 20 Cb 1.16 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 1j40 h VAL 20 CO 1.11 0.00 -0.70 0.47 -1.23 0.00 0.00 177.57 177.23 1j40 n ASP 21 N -2.77 0.65 0.00 4.19 8.00 -1.26 -4.61 116.55 120.75 1j40 n ASP 21 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1j40 n ASP 21 Cb 0.27 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1j40 n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1j40 n GLU 22 N -2.00 1.18 -0.16 -1.24 -0.58 -0.97 -4.72 120.64 112.16 1j40 n GLU 22 Ca 0.03 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.70 1j40 n GLU 22 Cb 0.42 -0.97 0.07 0.00 -0.57 0.00 0.00 31.44 30.40 1j40 n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1j40 h VAL 23 N 0.00 1.26 -0.37 2.62 2.07 -1.45 -0.21 116.25 120.17 1j40 h VAL 23 Ca 0.00 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1j40 h VAL 23 Cb 0.95 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1j40 h VAL 23 CO 0.00 0.41 0.20 1.23 0.02 0.00 0.00 177.57 179.43 1j40 h GLY 24 N 0.98 0.56 1.34 2.17 0.00 -1.81 -0.14 103.07 106.17 1j40 h GLY 24 Ca 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1j40 h GLY 24 CO 0.03 0.25 0.12 -1.33 0.00 0.00 0.00 176.54 175.61 1j40 h GLY 25 N 0.47 0.89 1.08 4.60 0.00 -1.62 -0.49 103.07 108.01 1j40 h GLY 25 Ca 0.13 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 1j40 h GLY 25 CO -0.02 0.49 -0.22 0.83 0.00 0.00 0.00 176.54 177.62 1j40 h GLU 26 N 0.80 0.93 -0.19 4.80 5.08 -0.74 0.17 114.58 125.42 1j40 h GLU 26 Ca 0.17 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1j40 h GLU 26 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1j40 h GLU 26 CO 0.00 1.07 -0.04 0.00 -1.00 0.00 0.00 179.01 179.04 1j40 h ALA 27 N 0.84 0.26 -0.45 3.43 0.00 -0.76 0.12 119.26 122.69 1j40 h ALA 27 Ca 0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1j40 h ALA 27 Cb 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1j40 h ALA 27 CO 0.07 0.03 0.09 1.25 0.00 0.00 0.00 179.25 180.68 1j40 h LEU 28 N 0.08 0.70 -0.24 0.00 5.85 -1.09 -1.04 115.31 119.57 1j40 h LEU 28 Ca 0.05 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1j40 h LEU 28 Cb 0.48 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1j40 h LEU 28 CO 0.02 0.77 0.10 1.23 -0.34 0.00 0.00 178.44 180.22 1j40 h GLY 29 N 0.60 0.30 1.41 3.75 0.00 -0.65 -1.99 103.07 106.51 1j40 h GLY 29 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1j40 h GLY 29 CO 0.01 0.06 0.09 3.21 0.00 0.00 0.00 176.54 179.90 1j40 h ARG 30 N 0.23 0.74 -0.42 4.80 3.08 -0.80 -0.32 114.38 121.69 1j40 h ARG 30 Ca 0.10 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1j40 h ARG 30 Cb 0.04 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 1j40 h ARG 30 CO -0.08 0.69 0.03 1.25 -1.07 0.00 0.00 179.97 180.79 1j40 h LEU 31 N 0.71 -0.10 -1.29 3.04 5.85 -0.88 0.29 115.31 122.94 1j40 h LEU 31 Ca 0.16 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1j40 h LEU 31 Cb 0.30 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1j40 h LEU 31 CO 0.00 -0.02 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.74 1j40 h LEU 32 N 0.15 0.00 0.09 2.25 3.38 -0.59 -0.46 115.31 120.14 1j40 h LEU 32 Ca 0.21 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.96 1j40 h LEU 32 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1j40 h LEU 32 CO -0.31 0.28 -1.08 0.58 0.09 0.00 0.00 178.44 177.99 1j40 h VAL 33 N 0.00 1.22 0.01 1.22 2.07 -0.59 -3.26 116.25 116.93 1j40 h VAL 33 Ca -0.00 -2.40 -0.21 0.00 0.82 0.00 0.00 66.70 64.90 1j40 h VAL 33 Cb 0.68 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1j40 h VAL 33 CO 0.04 0.65 -0.92 0.58 0.02 0.00 0.00 177.57 177.94 1j40 h VAL 34 N -0.48 1.46 -2.42 2.57 2.07 -0.43 -3.36 116.25 115.65 1j40 h VAL 34 Ca -0.23 -2.57 -0.60 0.00 0.82 0.00 0.00 66.70 64.12 1j40 h VAL 34 Cb 1.59 2.47 -0.41 0.00 -1.52 0.00 0.00 31.29 33.42 1j40 h VAL 34 CO 0.04 0.76 -0.72 -1.22 0.02 0.00 0.00 177.57 176.44 1j40 n TYR 35 N -3.69 2.29 0.28 1.57 4.01 -0.18 -4.98 117.16 116.46 1j40 n TYR 35 Ca -0.05 -4.00 0.13 0.00 -0.16 0.00 0.00 57.90 53.82 1j40 n TYR 35 Cb 0.83 -0.44 0.60 0.00 -0.31 0.00 0.00 39.34 40.01 1j40 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j40 h PRO 36 N 4.64 0.00 0.00 -0.72 0.13 -1.71 -1.34 132.00 133.00 1j40 h PRO 36 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1j40 h PRO 36 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1j40 h PRO 36 CO 0.68 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.54 1j40 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.64 115.95 114.05 1j40 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j40 h TRP 37 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 1j40 h TRP 37 CO 0.00 0.03 0.00 0.25 0.09 0.00 0.00 178.44 178.81 1j40 n THR 38 N -3.56 0.98 0.29 0.12 -2.24 -0.51 -2.01 114.28 107.36 1j40 n THR 38 Ca -0.03 0.34 0.19 0.00 -2.27 0.00 0.00 64.05 62.29 1j40 n THR 38 Cb 0.12 -1.26 0.97 0.00 -2.10 0.00 0.00 70.33 68.06 1j40 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1j40 h GLN 39 N 0.00 0.00 -1.01 -0.78 4.20 -1.50 -2.94 115.11 113.08 1j40 h GLN 39 Ca 0.00 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.98 1j40 h GLN 39 Cb 0.25 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 1j40 h GLN 39 CO 0.00 0.00 0.69 0.07 -0.67 0.00 0.00 178.83 178.92 1j40 h ARG 40 N 0.00 0.21 -0.00 1.46 0.11 -1.62 -0.46 114.38 114.07 1j40 h ARG 40 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1j40 h ARG 40 Cb 0.08 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1j40 h ARG 40 CO 0.00 0.14 -0.15 1.19 0.10 0.00 0.00 179.97 181.25 1j40 n PHE 41 N -4.42 0.00 -2.27 4.08 3.72 -1.11 -4.22 117.46 113.24 1j40 n PHE 41 Ca 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.61 1j40 n PHE 41 Cb 0.94 -0.19 0.08 0.00 -0.94 0.00 0.00 39.48 39.37 1j40 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j40 n PHE 42 N -0.96 0.74 -0.05 1.38 3.72 -0.18 -4.85 117.46 117.27 1j40 n PHE 42 Ca 0.13 -1.41 0.08 0.00 -0.05 0.00 0.00 57.45 56.20 1j40 n PHE 42 Cb 0.30 -0.23 0.46 0.00 -0.94 0.00 0.00 39.48 39.07 1j40 n PHE 42 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1j40 h GLU 43 N 1.56 0.47 0.00 -1.08 4.81 -1.73 -1.22 114.58 117.39 1j40 h GLU 43 Ca -0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1j40 h GLU 43 Cb 1.47 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1j40 h GLU 43 CO 0.20 0.31 0.00 -1.13 -0.73 0.00 0.00 179.01 177.66 1j40 n SER 44 N -4.47 0.04 -0.05 1.04 3.41 -1.26 -3.17 113.62 109.16 1j40 n SER 44 Ca 0.07 0.51 0.15 0.00 -0.26 0.00 0.00 58.87 59.34 1j40 n SER 44 Cb 0.23 -0.52 0.78 0.00 -0.26 0.00 0.00 64.21 64.44 1j40 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j40 n PHE 45 N -1.54 0.00 -0.82 7.33 3.01 -0.46 -5.02 117.46 119.96 1j40 n PHE 45 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1j40 n PHE 45 Cb 0.17 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1j40 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j40 n GLY 46 N 1.18 0.73 3.63 1.37 0.00 -1.19 -4.70 105.19 106.20 1j40 n GLY 46 Ca 0.18 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1j40 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j40 s ASP 47 N -4.00 6.51 -0.13 1.61 -1.08 -1.26 -4.85 116.67 113.48 1j40 s ASP 47 Ca 0.00 1.39 0.16 0.00 -0.52 0.00 0.00 52.55 53.58 1j40 s ASP 47 Cb 0.00 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.32 1j40 s ASP 47 CO 0.00 -1.19 1.19 0.18 0.52 0.00 0.00 175.17 175.87 1j40 n LEU 48 N 8.10 2.00 0.16 -1.34 4.77 -1.26 -4.18 117.00 125.25 1j40 n LEU 48 Ca 0.17 -3.09 0.12 0.00 -0.03 0.00 0.00 56.01 53.18 1j40 n LEU 48 Cb 0.46 -0.33 0.19 0.00 -2.33 0.00 0.00 43.42 41.41 1j40 n LEU 48 CO 0.64 1.01 0.64 0.77 -1.33 0.00 0.00 177.39 179.11 1j40 h SER 49 N 0.88 0.00 -5.30 -1.43 4.64 -1.89 -3.44 113.55 107.01 1j40 h SER 49 Ca -0.07 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.09 1j40 h SER 49 Cb 1.31 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.26 1j40 h SER 49 CO 0.03 0.01 -0.51 0.42 -0.87 0.00 0.00 176.83 175.92 1j40 s THR 50 N -3.21 0.12 0.22 2.95 -4.23 -1.26 -5.01 115.64 105.21 1j40 s THR 50 Ca 0.06 -1.61 -0.08 0.00 -1.18 0.00 0.00 61.69 58.88 1j40 s THR 50 Cb 0.08 -1.78 0.16 0.00 1.34 0.00 0.00 72.50 72.30 1j40 s THR 50 CO 0.68 -0.53 1.77 -0.65 -0.54 0.00 0.00 174.62 175.35 1j40 h PRO 51 N 2.79 0.54 -0.65 3.99 0.11 -1.97 -1.22 132.00 135.58 1j40 h PRO 51 Ca -0.34 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 1j40 h PRO 51 Cb 1.20 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1j40 h PRO 51 CO 0.56 0.36 0.13 -0.44 -0.21 0.00 0.00 178.00 178.40 1j40 h ASP 52 N 0.55 1.00 -0.68 -2.05 3.32 -1.98 0.11 116.42 116.68 1j40 h ASP 52 Ca 0.33 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1j40 h ASP 52 Cb 0.35 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1j40 h ASP 52 CO -0.27 0.98 0.31 0.00 -1.72 0.00 0.00 179.24 178.54 1j40 h ALA 53 N 1.14 1.22 0.07 3.45 0.00 -1.71 -1.28 119.26 122.15 1j40 h ALA 53 Ca 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j40 h ALA 53 Cb 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1j40 h ALA 53 CO 0.01 0.58 -0.03 0.28 0.00 0.00 0.00 179.25 180.09 1j40 h VAL 54 N 1.01 1.22 -0.42 0.00 2.07 -0.87 -2.79 116.25 116.47 1j40 h VAL 54 Ca 0.24 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 1j40 h VAL 54 Cb 0.14 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1j40 h VAL 54 CO -0.03 0.30 -0.10 0.24 0.02 0.00 0.00 177.57 178.00 1j40 h MET 55 N -0.70 0.74 -0.22 1.57 2.07 -0.66 -1.92 114.93 115.81 1j40 h MET 55 Ca -0.01 -0.24 0.00 0.00 -2.07 0.00 0.00 59.70 57.38 1j40 h MET 55 Cb 0.57 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1j40 h MET 55 CO 0.02 0.82 0.00 0.41 1.07 0.00 0.00 176.91 179.23 1j40 n GLY 56 N -0.48 0.59 3.66 8.32 0.00 -0.50 -4.83 105.19 111.95 1j40 n GLY 56 Ca 0.01 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1j40 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j40 s ASN 57 N -1.50 6.59 0.46 1.61 3.84 -0.72 -4.87 114.94 120.35 1j40 s ASN 57 Ca 0.33 2.29 0.16 0.00 0.21 0.00 0.00 52.86 55.85 1j40 s ASN 57 Cb 0.18 -2.53 1.08 0.00 -0.55 0.00 0.00 41.25 39.43 1j40 s ASN 57 CO 0.26 -0.98 2.02 1.55 -2.79 0.00 0.00 177.10 177.17 1j40 h PRO 58 N 9.88 0.00 -0.01 0.43 0.13 -1.89 -1.08 132.00 139.47 1j40 h PRO 58 Ca -0.41 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 1j40 h PRO 58 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1j40 h PRO 58 CO 0.95 0.15 -0.90 0.87 -0.23 0.00 0.00 178.00 178.84 1j40 h LYS 59 N 0.00 0.37 -0.44 0.86 1.57 -1.89 0.17 116.57 117.21 1j40 h LYS 59 Ca -0.00 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1j40 h LYS 59 Cb 0.27 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1j40 h LYS 59 CO 0.02 1.06 0.25 0.28 -0.57 0.00 0.00 179.45 180.49 1j40 h VAL 60 N 0.21 1.15 -0.35 0.50 2.07 -1.71 -0.22 116.25 117.90 1j40 h VAL 60 Ca -0.07 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1j40 h VAL 60 Cb 1.53 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1j40 h VAL 60 CO 0.15 0.15 -0.05 0.11 0.02 0.00 0.00 177.57 177.95 1j40 h LYS 61 N 0.57 0.66 -0.70 1.57 1.57 -1.09 0.78 116.57 119.93 1j40 h LYS 61 Ca 0.16 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1j40 h LYS 61 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1j40 h LYS 61 CO -0.03 0.81 0.30 0.00 -0.57 0.00 0.00 179.45 179.96 1j40 h ALA 62 N 0.83 0.91 -0.57 3.86 0.00 -0.91 -2.29 119.26 121.10 1j40 h ALA 62 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1j40 h ALA 62 Cb 0.54 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1j40 h ALA 62 CO 0.03 0.52 -0.04 1.25 0.00 0.00 0.00 179.25 181.01 1j40 h HIS 63 N 1.00 1.13 -0.89 0.00 -0.00 -0.87 -2.85 115.15 112.67 1j40 h HIS 63 Ca 0.24 -0.21 0.13 0.00 -0.00 0.00 0.00 60.37 60.53 1j40 h HIS 63 Cb 0.18 -0.29 -0.07 0.00 -0.00 0.00 0.00 27.41 27.24 1j40 h HIS 63 CO 0.01 1.02 0.57 0.78 -0.00 0.00 0.00 177.93 180.32 1j40 h GLY 64 N 0.91 1.24 1.03 5.26 0.00 -0.56 -0.86 103.07 110.09 1j40 h GLY 64 Ca 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1j40 h GLY 64 CO 0.04 0.11 0.45 0.50 0.00 0.00 0.00 176.54 177.64 1j40 h LYS 65 N 0.74 1.20 -0.37 4.80 1.57 -1.18 0.94 116.57 124.29 1j40 h LYS 65 Ca 0.44 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1j40 h LYS 65 Cb 0.65 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1j40 h LYS 65 CO -0.20 0.90 -0.07 0.87 -0.57 0.00 0.00 179.45 180.38 1j40 h LYS 66 N 1.20 0.69 -0.36 3.15 1.57 -1.14 -0.65 116.57 121.02 1j40 h LYS 66 Ca 0.30 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1j40 h LYS 66 Cb 0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1j40 h LYS 66 CO -0.04 0.83 0.20 0.28 -0.57 0.00 0.00 179.45 180.15 1j40 h VAL 67 N 0.49 1.14 -0.67 0.50 2.07 -0.99 -1.91 116.25 116.88 1j40 h VAL 67 Ca 0.10 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1j40 h VAL 67 Cb 0.57 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1j40 h VAL 67 CO 0.03 0.14 0.25 0.25 0.02 0.00 0.00 177.57 178.27 1j40 h LEU 68 N 0.46 0.92 -1.03 2.57 7.12 -0.74 -1.25 115.31 123.37 1j40 h LEU 68 Ca 0.13 -0.14 0.04 0.00 0.13 0.00 0.00 57.88 58.03 1j40 h LEU 68 Cb 0.05 -0.24 -0.06 0.00 -0.53 0.00 0.00 40.66 39.89 1j40 h LEU 68 CO -0.02 0.83 0.65 1.23 -0.13 0.00 0.00 178.44 181.00 1j40 h GLY 69 N 1.06 1.44 1.12 3.75 0.00 -0.68 -0.23 103.07 109.52 1j40 h GLY 69 Ca 0.23 -0.50 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 1j40 h GLY 69 CO -0.02 0.43 -0.49 0.00 0.00 0.00 0.00 176.54 176.46 1j40 h ALA 70 N 1.42 0.46 -0.68 3.60 0.00 -0.70 -2.50 119.26 120.85 1j40 h ALA 70 Ca 0.39 -0.49 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1j40 h ALA 70 Cb -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1j40 h ALA 70 CO -0.12 0.64 0.30 0.74 0.00 0.00 0.00 179.25 180.81 1j40 h PHE 71 N 0.64 0.53 -0.69 0.00 0.04 -0.66 -2.13 116.94 114.68 1j40 h PHE 71 Ca 0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1j40 h PHE 71 Cb 1.10 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 39.08 1j40 h PHE 71 CO 0.07 0.15 0.40 0.77 -0.60 0.00 0.00 178.31 179.10 1j40 h SER 72 N 0.51 0.83 -0.54 2.17 0.02 -0.84 -0.79 113.55 114.91 1j40 h SER 72 Ca 0.35 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1j40 h SER 72 Cb 0.42 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1j40 h SER 72 CO -0.31 0.65 0.27 0.44 -1.14 0.00 0.00 176.83 176.75 1j40 h ASP 73 N 0.95 0.69 -0.93 3.07 3.45 -0.97 -1.99 116.42 120.68 1j40 h ASP 73 Ca 0.25 -0.11 0.02 0.00 0.43 0.00 0.00 57.03 57.62 1j40 h ASP 73 Cb -0.01 -0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 38.53 1j40 h ASP 73 CO -0.04 0.61 0.61 1.23 -1.57 0.00 0.00 179.24 180.07 1j40 h GLY 74 N 0.72 1.34 2.00 2.75 0.00 -0.61 -2.23 103.07 107.04 1j40 h GLY 74 Ca 0.19 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1j40 h GLY 74 CO -0.03 0.43 -0.22 1.41 0.00 0.00 0.00 176.54 178.13 1j40 h LEU 75 N 1.21 0.00 -0.01 3.11 3.38 -0.79 -0.67 115.31 121.54 1j40 h LEU 75 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1j40 h LEU 75 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1j40 h LEU 75 CO -0.10 0.22 -0.02 0.00 0.09 0.00 0.00 178.44 178.63 1j40 n ALA 76 N -2.27 2.44 -2.67 1.53 0.00 -0.78 -4.09 120.51 114.67 1j40 n ALA 76 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 1j40 n ALA 76 Cb 0.37 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.40 1j40 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j40 n HIS 77 N -1.40 0.59 0.30 0.00 8.25 -0.34 -4.96 115.22 117.67 1j40 n HIS 77 Ca 0.10 -2.65 0.18 0.00 -0.26 0.00 0.00 57.72 55.09 1j40 n HIS 77 Cb 0.30 -0.07 1.00 0.00 1.12 0.00 0.00 29.99 32.34 1j40 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j40 h LEU 78 N 2.84 0.00 -0.49 2.41 4.07 -1.50 -1.75 115.31 120.89 1j40 h LEU 78 Ca -0.13 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.73 1j40 h LEU 78 Cb 1.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1j40 h LEU 78 CO 0.41 0.00 -0.47 -0.78 -1.08 0.00 0.00 178.44 176.52 1j40 h ASP 79 N 0.00 0.00 -1.78 -0.43 -0.00 -1.93 -3.28 116.42 109.01 1j40 h ASP 79 Ca 0.01 0.00 -0.45 0.00 -0.00 0.00 0.00 57.03 56.58 1j40 h ASP 79 Cb 0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 39.33 38.98 1j40 h ASP 79 CO -0.00 0.47 -1.20 0.59 -0.00 0.00 0.00 179.24 179.10 1j40 n ASN 80 N -3.39 0.99 -0.05 2.28 4.13 -0.66 -4.78 115.26 113.78 1j40 n ASN 80 Ca 0.01 -2.95 -0.11 0.00 1.68 0.00 0.00 54.58 53.21 1j40 n ASN 80 Cb 0.63 -0.60 0.03 0.00 -1.54 0.00 0.00 39.78 38.30 1j40 n ASN 80 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1j40 h LEU 81 N 3.00 0.78 -0.22 3.41 3.38 -1.76 -1.83 115.31 122.07 1j40 h LEU 81 Ca 0.06 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1j40 h LEU 81 Cb 1.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1j40 h LEU 81 CO 0.50 1.12 0.14 0.11 0.09 0.00 0.00 178.44 180.40 1j40 h LYS 82 N 0.58 0.28 -0.49 1.13 1.57 -1.89 -0.66 116.57 117.09 1j40 h LYS 82 Ca 0.03 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1j40 h LYS 82 Cb 1.02 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1j40 h LYS 82 CO 0.10 0.18 -0.21 0.78 -0.57 0.00 0.00 179.45 179.73 1j40 h GLY 83 N 0.28 1.09 0.54 3.86 0.00 -1.94 -2.15 103.07 104.76 1j40 h GLY 83 Ca 0.08 -0.96 0.09 0.00 0.00 0.00 0.00 47.33 46.54 1j40 h GLY 83 CO -0.03 0.87 0.46 -0.84 0.00 0.00 0.00 176.54 177.01 1j40 h THR 84 N 0.86 0.92 -0.46 4.70 2.02 -0.98 -3.01 112.91 116.96 1j40 h THR 84 Ca 0.11 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1j40 h THR 84 Cb 0.79 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1j40 h THR 84 CO 0.07 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.59 1j40 n PHE 85 N -4.74 0.60 -0.18 3.16 3.72 -0.28 -4.60 117.46 115.14 1j40 n PHE 85 Ca 0.13 -0.33 -0.02 0.00 -0.05 0.00 0.00 57.45 57.19 1j40 n PHE 85 Cb 0.26 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.88 1j40 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j40 h ALA 86 N 4.15 0.67 -0.22 4.37 0.00 -1.24 0.25 119.26 127.24 1j40 h ALA 86 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1j40 h ALA 86 Cb 0.95 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1j40 h ALA 86 CO 0.00 -0.22 0.09 1.15 0.00 0.00 0.00 179.25 180.27 1j40 h THR 87 N 0.36 1.17 0.00 0.00 2.02 -1.82 -1.03 112.91 113.60 1j40 h THR 87 Ca 0.27 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 1j40 h THR 87 Cb 0.31 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1j40 h THR 87 CO -0.28 0.16 -0.34 -0.07 0.37 0.00 0.00 175.52 175.37 1j40 h LEU 88 N 0.20 0.00 -0.09 2.58 3.38 -1.76 -1.36 115.31 118.26 1j40 h LEU 88 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1j40 h LEU 88 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1j40 h LEU 88 CO -0.01 0.34 0.01 -1.28 0.09 0.00 0.00 178.44 177.58 1j40 h SER 89 N 0.00 0.14 -0.93 -0.43 0.87 -0.12 -0.89 113.55 112.19 1j40 h SER 89 Ca -0.00 -0.29 0.05 0.00 -1.23 0.00 0.00 61.79 60.31 1j40 h SER 89 Cb 0.61 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.47 1j40 h SER 89 CO 0.04 0.40 0.60 -0.33 -0.53 0.00 0.00 176.83 177.01 1j40 h GLU 90 N -0.11 1.10 -0.17 2.24 5.08 -1.00 -1.11 114.58 120.61 1j40 h GLU 90 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1j40 h GLU 90 Cb 0.32 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1j40 h GLU 90 CO 0.00 0.73 0.04 1.25 -1.00 0.00 0.00 179.01 180.03 1j40 h LEU 91 N 1.13 0.26 -1.05 1.33 5.85 -1.08 0.26 115.31 122.01 1j40 h LEU 91 Ca 0.39 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1j40 h LEU 91 Cb 0.08 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1j40 h LEU 91 CO -0.14 0.43 -0.27 0.45 -0.34 0.00 0.00 178.44 178.57 1j40 h HIS 92 N 0.08 0.38 0.19 1.25 3.86 -0.81 -1.19 115.15 118.90 1j40 h HIS 92 Ca 0.05 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1j40 h HIS 92 Cb 0.28 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1j40 h HIS 92 CO 0.01 0.59 -0.09 0.00 0.86 0.00 0.00 177.93 179.30 1j40 h ASP 94 N -0.76 0.17 0.00 0.00 3.32 -0.52 -2.83 116.42 115.79 1j40 h ASP 94 Ca -0.03 -0.16 -0.41 0.00 0.02 0.00 0.00 57.03 56.45 1j40 h ASP 94 Cb 0.19 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1j40 h ASP 94 CO 0.04 1.03 -2.47 0.29 -1.72 0.00 0.00 179.24 176.42 1j40 n LYS 95 N -3.54 0.61 0.04 3.56 4.76 -0.63 -4.72 118.16 118.23 1j40 n LYS 95 Ca -0.03 0.19 0.11 0.00 -2.87 0.00 0.00 58.31 55.71 1j40 n LYS 95 Cb 0.87 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 32.50 1j40 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j40 n LEU 96 N -3.65 0.44 -3.73 -0.35 4.77 -0.55 -5.00 117.00 108.94 1j40 n LEU 96 Ca -0.48 0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.41 1j40 n LEU 96 Cb 0.93 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 42.02 1j40 n LEU 96 CO 0.16 -0.07 -0.07 1.41 -1.33 0.00 0.00 177.39 177.49 1j40 n HIS 97 N -2.39 -1.91 -3.42 -1.77 8.25 -0.17 -4.96 115.22 108.85 1j40 n HIS 97 Ca -0.02 0.84 -0.40 0.00 -0.26 0.00 0.00 57.72 57.88 1j40 n HIS 97 Cb 0.54 -4.32 -0.09 0.00 1.12 0.00 0.00 29.99 27.23 1j40 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j40 s VAL 98 N -3.67 5.18 0.02 1.59 1.01 -0.58 -5.03 120.40 118.92 1j40 s VAL 98 Ca 0.04 0.27 -0.32 0.00 0.00 0.00 0.00 61.98 61.96 1j40 s VAL 98 Cb -0.02 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 1j40 s VAL 98 CO 0.82 0.04 1.87 -0.67 0.00 0.00 0.00 175.10 177.16 1j40 n ASP 99 N 5.33 3.76 0.16 3.32 -0.08 -1.26 -4.74 116.55 123.05 1j40 n ASP 99 Ca -0.09 0.97 0.11 0.00 -1.51 0.00 0.00 54.79 54.26 1j40 n ASP 99 Cb 0.50 -1.46 0.57 0.00 2.34 0.00 0.00 41.12 43.07 1j40 n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1j40 n PRO 100 N 6.37 0.14 -0.02 -0.67 -0.02 -1.26 -1.66 135.00 137.88 1j40 n PRO 100 Ca 0.20 0.63 0.11 0.00 -2.02 0.00 0.00 63.50 62.43 1j40 n PRO 100 Cb 0.34 -1.96 0.53 0.00 -0.02 0.00 0.00 33.50 32.40 1j40 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j40 h GLU 101 N 0.00 0.32 -0.60 -0.52 4.57 -1.98 -0.29 114.58 116.08 1j40 h GLU 101 Ca 0.00 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 1j40 h GLU 101 Cb 0.02 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1j40 h GLU 101 CO 0.00 0.21 0.40 -0.91 -1.18 0.00 0.00 179.01 177.53 1j40 h ASN 102 N 0.33 0.31 -0.20 1.04 4.21 -1.69 -1.86 115.58 117.71 1j40 h ASN 102 Ca 0.22 0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.63 1j40 h ASN 102 Cb 0.44 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 1j40 h ASN 102 CO -0.05 0.18 -0.23 -0.26 -1.29 0.00 0.00 177.43 175.79 1j40 h PHE 103 N 0.35 0.74 -0.36 1.19 0.04 -1.24 -0.50 116.94 117.16 1j40 h PHE 103 Ca 0.28 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.81 1j40 h PHE 103 Cb 0.63 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1j40 h PHE 103 CO -0.00 0.83 -0.09 0.00 -0.60 0.00 0.00 178.31 178.45 1j40 h ARG 104 N 0.58 0.69 -0.13 1.51 3.08 -1.39 -1.45 114.38 117.26 1j40 h ARG 104 Ca 0.08 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1j40 h ARG 104 Cb 0.70 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1j40 h ARG 104 CO 0.05 0.85 0.04 -0.07 -1.07 0.00 0.00 179.97 179.78 1j40 h LEU 105 N 0.48 0.04 -0.86 3.04 3.38 -1.18 -2.27 115.31 117.95 1j40 h LEU 105 Ca 0.09 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1j40 h LEU 105 Cb 0.60 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1j40 h LEU 105 CO 0.04 0.05 0.39 0.25 0.09 0.00 0.00 178.44 179.25 1j40 h LEU 106 N 0.11 1.11 -0.42 1.67 5.85 -1.05 -1.00 115.31 121.58 1j40 h LEU 106 Ca 0.06 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1j40 h LEU 106 Cb 0.04 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1j40 h LEU 106 CO -0.06 0.94 0.15 1.23 -0.34 0.00 0.00 178.44 180.35 1j40 h GLY 107 N 1.20 0.54 1.65 3.75 0.00 -1.01 0.12 103.07 109.32 1j40 h GLY 107 Ca 0.29 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.41 1j40 h GLY 107 CO -0.03 0.02 -0.42 3.43 0.00 0.00 0.00 176.54 179.54 1j40 h ASN 108 N 0.31 0.41 -0.60 0.19 2.35 -1.02 -1.59 115.58 115.63 1j40 h ASN 108 Ca 0.19 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1j40 h ASN 108 Cb 0.18 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1j40 h ASN 108 CO -0.20 0.79 0.20 0.58 -1.65 0.00 0.00 177.43 177.14 1j40 h VAL 109 N 0.32 1.24 -0.70 2.81 2.07 -0.75 -1.58 116.25 119.66 1j40 h VAL 109 Ca 0.03 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1j40 h VAL 109 Cb 0.88 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1j40 h VAL 109 CO 0.07 0.31 0.42 0.25 0.02 0.00 0.00 177.57 178.64 1j40 h LEU 110 N 0.85 0.66 -0.61 2.57 5.85 -0.44 -0.30 115.31 123.88 1j40 h LEU 110 Ca 0.19 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1j40 h LEU 110 Cb 0.28 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1j40 h LEU 110 CO -0.01 0.44 0.37 0.58 -0.34 0.00 0.00 178.44 179.48 1j40 h VAL 111 N 0.79 1.06 -0.95 1.05 2.07 -0.97 0.61 116.25 119.91 1j40 h VAL 111 Ca 0.30 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1j40 h VAL 111 Cb 0.10 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1j40 h VAL 111 CO -0.14 0.13 0.63 0.00 0.02 0.00 0.00 177.57 178.20 1j40 h VAL 113 N 1.20 1.28 -0.64 0.00 2.07 -0.04 -0.45 116.25 119.67 1j40 h VAL 113 Ca 0.38 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1j40 h VAL 113 Cb 0.02 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1j40 h VAL 113 CO -0.12 0.41 0.42 -0.07 0.02 0.00 0.00 177.57 178.23 1j40 h LEU 114 N 0.53 0.71 -0.53 2.57 3.38 -0.65 -0.38 115.31 120.94 1j40 h LEU 114 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1j40 h LEU 114 Cb 0.68 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1j40 h LEU 114 CO 0.05 0.51 0.29 0.00 0.09 0.00 0.00 178.44 179.37 1j40 h ALA 115 N 1.25 0.68 -0.62 1.53 0.00 -0.95 0.45 119.26 121.60 1j40 h ALA 115 Ca 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1j40 h ALA 115 Cb -0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1j40 h ALA 115 CO -0.07 0.20 0.40 1.25 0.00 0.00 0.00 179.25 181.03 1j40 h HIS 116 N 0.70 0.76 -0.09 0.00 -0.00 -0.64 0.14 115.15 116.03 1j40 h HIS 116 Ca 0.18 0.02 -0.20 0.00 -0.00 0.00 0.00 60.37 60.37 1j40 h HIS 116 Cb 0.06 -0.25 0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1j40 h HIS 116 CO -0.01 0.46 -0.73 0.45 -0.00 0.00 0.00 177.93 178.10 1j40 h HIS 117 N 0.81 0.90 0.00 5.26 -0.00 -0.82 -3.36 115.15 117.94 1j40 h HIS 117 Ca 0.23 -0.43 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 1j40 h HIS 117 Cb -0.06 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1j40 h HIS 117 CO -0.04 1.25 -1.03 1.19 -0.00 0.00 0.00 177.93 179.30 1j40 n PHE 118 N -4.05 0.03 -0.47 2.45 3.72 0.13 -5.03 117.46 114.24 1j40 n PHE 118 Ca -0.09 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1j40 n PHE 118 Cb 0.72 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 1j40 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j40 n GLY 119 N 1.46 3.38 0.32 1.37 0.00 0.03 -1.90 105.19 109.85 1j40 n GLY 119 Ca 0.03 -0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.11 1j40 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j40 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 -0.45 116.57 117.87 1j40 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1j40 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1j40 h LYS 120 CO 0.00 0.00 -0.13 1.49 -2.00 0.00 0.00 179.45 178.81 1j40 h GLU 121 N 0.00 0.00 -3.71 0.07 4.81 -1.78 -3.29 114.58 110.69 1j40 h GLU 121 Ca 0.04 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.53 1j40 h GLU 121 Cb 0.24 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.51 1j40 h GLU 121 CO -0.00 0.13 2.44 0.34 -0.73 0.00 0.00 179.01 181.20 1j40 n PHE 122 N -3.58 3.18 -1.27 0.92 7.35 -0.18 -4.92 117.46 118.97 1j40 n PHE 122 Ca -0.01 -2.86 -0.30 0.00 -0.76 0.00 0.00 57.45 53.51 1j40 n PHE 122 Cb 0.27 -2.18 0.13 0.00 0.35 0.00 0.00 39.48 38.04 1j40 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j40 s THR 123 N 1.47 2.76 0.20 -2.13 -4.23 -1.24 -4.67 115.64 107.80 1j40 s THR 123 Ca 0.42 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 61.07 1j40 s THR 123 Cb 0.11 -2.78 0.14 0.00 1.34 0.00 0.00 72.50 71.31 1j40 s THR 123 CO -0.03 -0.32 1.71 -0.65 -0.54 0.00 0.00 174.62 174.78 1j40 h PRO 124 N -1.44 0.23 -0.47 3.99 0.11 -1.93 0.93 132.00 133.41 1j40 h PRO 124 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1j40 h PRO 124 Cb 1.28 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1j40 h PRO 124 CO 0.55 0.15 0.22 -1.35 -0.21 0.00 0.00 178.00 177.36 1j40 h PRO 125 N 0.24 0.65 -0.30 1.05 0.11 -1.99 -0.77 132.00 130.99 1j40 h PRO 125 Ca 0.28 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.24 1j40 h PRO 125 Cb 0.40 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1j40 h PRO 125 CO -0.37 0.52 -0.12 0.28 -0.21 0.00 0.00 178.00 178.10 1j40 h VAL 126 N 0.66 1.29 -0.47 3.15 2.07 -1.69 -2.45 116.25 118.81 1j40 h VAL 126 Ca 0.16 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.56 1j40 h VAL 126 Cb 0.08 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1j40 h VAL 126 CO -0.02 0.38 0.13 -0.61 0.02 0.00 0.00 177.57 177.47 1j40 h GLN 127 N 0.37 0.28 -0.99 1.57 4.15 -0.58 -0.97 115.11 118.94 1j40 h GLN 127 Ca 0.07 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.52 1j40 h GLN 127 Cb 0.63 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.19 1j40 h GLN 127 CO 0.04 0.18 0.64 0.00 -1.93 0.00 0.00 178.83 177.77 1j40 h ALA 128 N 1.33 1.38 -0.25 3.38 0.00 -0.94 0.37 119.26 124.53 1j40 h ALA 128 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1j40 h ALA 128 Cb 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1j40 h ALA 128 CO -0.26 0.51 0.11 0.00 0.00 0.00 0.00 179.25 179.62 1j40 h ALA 129 N 1.44 0.33 -0.21 0.00 0.00 -1.06 -2.27 119.26 117.48 1j40 h ALA 129 Ca 0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1j40 h ALA 129 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1j40 h ALA 129 CO -0.13 -0.10 -0.09 1.88 0.00 0.00 0.00 179.25 180.80 1j40 h TYR 130 N 0.27 0.34 -0.64 0.00 0.05 -0.05 -1.68 116.97 115.26 1j40 h TYR 130 Ca 0.09 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 1j40 h TYR 130 Cb 0.14 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 1j40 h TYR 130 CO -0.02 0.43 0.16 1.96 -1.05 0.00 0.00 178.16 179.64 1j40 h GLN 131 N 0.31 1.01 -0.73 4.88 1.08 -0.10 0.52 115.11 122.09 1j40 h GLN 131 Ca 0.07 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1j40 h GLN 131 Cb 0.37 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1j40 h GLN 131 CO 0.02 0.90 0.46 0.87 -0.95 0.00 0.00 178.83 180.12 1j40 h LYS 132 N 0.97 0.98 0.24 1.46 1.57 -0.81 -1.41 116.57 119.56 1j40 h LYS 132 Ca 0.21 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1j40 h LYS 132 Cb 0.34 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1j40 h LYS 132 CO 0.00 0.67 -0.11 0.28 -0.57 0.00 0.00 179.45 179.72 1j40 h VAL 133 N 0.99 0.80 -0.16 0.50 2.07 -0.70 -0.52 116.25 119.23 1j40 h VAL 133 Ca 0.26 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.46 1j40 h VAL 133 Cb -0.06 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1j40 h VAL 133 CO -0.05 0.04 -0.43 -0.37 0.02 0.00 0.00 177.57 176.78 1j40 h VAL 134 N -0.42 1.31 -0.59 2.57 -1.51 -0.87 0.47 116.25 117.22 1j40 h VAL 134 Ca -0.03 -1.59 -0.05 0.00 -1.23 0.00 0.00 66.70 63.80 1j40 h VAL 134 Cb 0.32 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 31.11 1j40 h VAL 134 CO 0.05 0.49 0.19 0.00 -1.23 0.00 0.00 177.57 177.06 1j40 h ALA 135 N 1.23 0.78 -0.58 5.19 0.00 -1.25 -0.66 119.26 123.98 1j40 h ALA 135 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1j40 h ALA 135 Cb 0.89 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1j40 h ALA 135 CO 0.07 0.45 0.28 0.78 0.00 0.00 0.00 179.25 180.83 1j40 h GLY 136 N 0.84 0.89 0.86 0.00 0.00 -0.46 0.19 103.07 105.39 1j40 h GLY 136 Ca 0.19 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1j40 h GLY 136 CO -0.01 0.42 0.05 -2.08 0.00 0.00 0.00 176.54 174.92 1j40 h VAL 137 N 0.78 1.21 -0.68 4.60 2.07 -0.86 -0.58 116.25 122.80 1j40 h VAL 137 Ca 0.20 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1j40 h VAL 137 Cb 0.12 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1j40 h VAL 137 CO -0.02 0.22 0.41 0.00 0.02 0.00 0.00 177.57 178.20 1j40 h ALA 138 N 0.86 0.87 -0.66 1.67 0.00 -0.97 0.29 119.26 121.32 1j40 h ALA 138 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1j40 h ALA 138 Cb 0.29 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1j40 h ALA 138 CO 0.00 0.34 0.20 -0.97 0.00 0.00 0.00 179.25 178.83 1j40 h ASN 139 N 0.93 0.94 -0.38 0.00 -1.24 -0.87 -0.62 115.58 114.34 1j40 h ASN 139 Ca 0.25 -0.17 -0.12 0.00 0.71 0.00 0.00 56.30 56.97 1j40 h ASN 139 Cb -0.03 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.76 1j40 h ASN 139 CO -0.05 0.88 -0.22 0.00 -1.29 0.00 0.00 177.43 176.76 1j40 h ALA 140 N 1.24 0.54 0.00 1.57 0.00 -0.68 -2.17 119.26 119.75 1j40 h ALA 140 Ca 0.22 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1j40 h ALA 140 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1j40 h ALA 140 CO -0.01 0.51 -0.25 -0.07 0.00 0.00 0.00 179.25 179.43 1j40 h LEU 141 N 0.62 0.00 0.00 0.00 3.38 -0.68 -2.46 115.31 116.17 1j40 h LEU 141 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1j40 h LEU 141 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1j40 h LEU 141 CO 0.06 0.25 -0.10 0.00 0.09 0.00 0.00 178.44 178.75 1j40 n ALA 142 N -2.33 2.43 0.06 1.53 0.00 -0.26 -4.44 120.51 117.49 1j40 n ALA 142 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1j40 n ALA 142 Cb 0.36 -1.42 0.16 0.00 0.00 0.00 0.00 19.45 18.55 1j40 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j40 h HIS 143 N 0.00 0.43 -0.53 0.00 6.17 -0.89 -2.51 115.15 117.82 1j40 h HIS 143 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 60.37 60.95 1j40 h HIS 143 Cb 0.67 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.51 1j40 h HIS 143 CO 0.00 0.75 0.00 1.63 0.71 0.00 0.00 177.93 181.02 1j40 n LYS 144 N -3.99 2.36 -2.13 5.26 4.76 -1.26 -4.90 118.16 118.25 1j40 n LYS 144 Ca -0.02 -1.94 -0.35 0.00 -2.87 0.00 0.00 58.31 53.12 1j40 n LYS 144 Cb 0.52 -1.46 0.02 0.00 -1.84 0.00 0.00 35.03 32.27 1j40 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j40 s TYR 145 N -1.36 2.52 0.00 2.13 1.51 -0.95 -4.72 117.35 116.49 1j40 s TYR 145 Ca 0.36 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.95 1j40 s TYR 145 Cb 0.19 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 1j40 s TYR 145 CO 0.23 -1.91 0.00 -2.39 -1.11 0.00 0.00 175.55 170.37