#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j41 n HIS 2 N 0.00 2.35 -3.03 3.52 -0.00 -1.26 -5.07 115.22 111.72 1j41 n HIS 2 Ca 0.00 -2.43 -0.43 0.00 -0.00 0.00 0.00 57.72 54.86 1j41 n HIS 2 Cb 0.00 -0.27 -0.06 0.00 -0.00 0.00 0.00 29.99 29.66 1j41 n HIS 2 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1j41 s LEU 3 N -3.59 4.33 0.68 0.27 2.96 -1.26 -5.05 118.68 117.02 1j41 s LEU 3 Ca 0.42 -0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 54.04 1j41 s LEU 3 Cb 0.39 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 44.23 1j41 s LEU 3 CO -0.02 -0.82 1.16 0.28 -1.32 0.00 0.00 176.35 175.63 1j41 s THR 4 N 3.05 2.77 0.26 3.68 -1.32 -1.26 -4.77 115.64 118.04 1j41 s THR 4 Ca 0.27 0.38 -0.02 0.00 -1.21 0.00 0.00 61.69 61.11 1j41 s THR 4 Cb -0.13 -2.94 0.24 0.00 -1.51 0.00 0.00 72.50 68.15 1j41 s THR 4 CO 0.20 -0.20 1.80 -0.65 -2.21 0.00 0.00 174.62 173.56 1j41 h PRO 5 N 0.01 0.76 -0.57 7.08 0.11 -1.99 0.77 132.00 138.17 1j41 h PRO 5 Ca -0.48 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1j41 h PRO 5 Cb 1.27 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1j41 h PRO 5 CO 0.52 0.50 0.19 1.49 -0.21 0.00 0.00 178.00 180.49 1j41 h GLU 6 N 0.78 0.85 -0.28 1.05 4.22 -1.99 -1.52 114.58 117.69 1j41 h GLU 6 Ca 0.44 -0.15 -0.13 0.00 0.08 0.00 0.00 59.36 59.60 1j41 h GLU 6 Cb 0.49 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1j41 h GLU 6 CO -0.29 0.73 -0.34 0.93 -2.18 0.00 0.00 179.01 177.86 1j41 h GLU 7 N 0.83 0.72 -0.55 1.92 5.08 -1.59 -2.18 114.58 118.81 1j41 h GLU 7 Ca 0.19 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1j41 h GLU 7 Cb 0.22 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1j41 h GLU 7 CO -0.01 1.02 0.26 0.87 -1.00 0.00 0.00 179.01 180.16 1j41 h LYS 8 N 0.46 0.79 -0.55 2.33 1.57 -0.74 0.33 116.57 120.76 1j41 h LYS 8 Ca 0.04 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1j41 h LYS 8 Cb 0.92 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 1j41 h LYS 8 CO 0.08 0.65 0.24 1.03 -0.57 0.00 0.00 179.45 180.88 1j41 h SER 9 N 0.74 0.29 -0.44 0.86 0.87 -1.25 -0.23 113.55 114.38 1j41 h SER 9 Ca 0.19 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.68 1j41 h SER 9 Cb 0.12 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1j41 h SER 9 CO -0.02 0.19 -0.21 0.00 -0.53 0.00 0.00 176.83 176.27 1j41 h ALA 10 N 1.34 0.62 -0.15 6.23 0.00 -0.95 -1.85 119.26 124.51 1j41 h ALA 10 Ca 0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1j41 h ALA 10 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j41 h ALA 10 CO -0.23 0.59 0.05 0.28 0.00 0.00 0.00 179.25 179.95 1j41 h VAL 11 N 0.75 1.17 -0.67 0.00 2.07 -0.67 -2.33 116.25 116.57 1j41 h VAL 11 Ca 0.10 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1j41 h VAL 11 Cb 0.78 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1j41 h VAL 11 CO 0.06 0.16 0.38 0.74 0.02 0.00 0.00 177.57 178.94 1j41 h THR 12 N 0.06 1.21 -0.12 2.57 2.02 -1.04 -1.02 112.91 116.58 1j41 h THR 12 Ca 0.05 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1j41 h THR 12 Cb 0.21 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1j41 h THR 12 CO -0.00 0.22 0.06 0.00 0.37 0.00 0.00 175.52 176.17 1j41 h ALA 13 N 1.19 0.15 -0.62 6.16 0.00 -1.29 -1.76 119.26 123.09 1j41 h ALA 13 Ca 0.24 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1j41 h ALA 13 Cb 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1j41 h ALA 13 CO -0.04 -0.30 0.16 1.25 0.00 0.00 0.00 179.25 180.32 1j41 h LEU 14 N 0.09 0.94 -1.41 0.00 5.85 -1.27 -2.83 115.31 116.67 1j41 h LEU 14 Ca 0.04 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1j41 h LEU 14 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1j41 h LEU 14 CO -0.01 0.92 -0.06 -0.25 -0.34 0.00 0.00 178.44 178.71 1j41 h TRP 15 N 0.91 0.33 0.00 1.25 2.91 -0.96 -1.00 115.95 119.39 1j41 h TRP 15 Ca 0.20 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.19 1j41 h TRP 15 Cb 0.34 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.90 1j41 h TRP 15 CO 0.02 0.39 -0.00 0.78 -1.03 0.00 0.00 178.44 178.60 1j41 h GLY 16 N 0.71 0.00 -1.64 2.65 0.00 -1.06 -1.97 103.07 101.75 1j41 h GLY 16 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1j41 h GLY 16 CO 0.01 0.00 -0.14 0.28 0.00 0.00 0.00 176.54 176.69 1j41 n LYS 17 N -3.12 1.98 -2.31 4.80 5.02 -0.39 -4.96 118.16 119.17 1j41 n LYS 17 Ca -0.02 -1.64 -0.42 0.00 -2.02 0.00 0.00 58.31 54.20 1j41 n LYS 17 Cb 0.11 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1j41 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j41 s VAL 18 N -2.13 3.79 -0.50 -0.18 1.01 -0.74 -4.95 120.40 116.69 1j41 s VAL 18 Ca 0.25 1.25 -0.27 0.00 0.00 0.00 0.00 61.98 63.21 1j41 s VAL 18 Cb 0.19 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1j41 s VAL 18 CO 0.38 0.06 1.86 0.21 0.00 0.00 0.00 175.10 177.61 1j41 s ASN 19 N 1.30 5.46 0.00 3.32 3.84 -1.26 -4.85 114.94 122.75 1j41 s ASN 19 Ca 0.61 0.72 0.30 0.00 0.21 0.00 0.00 52.86 54.70 1j41 s ASN 19 Cb -0.31 -2.53 1.45 0.00 -0.55 0.00 0.00 41.25 39.31 1j41 s ASN 19 CO 0.28 -2.15 2.01 0.52 -2.79 0.00 0.00 177.10 174.97 1j41 n VAL 20 N 7.32 0.00 0.04 -5.21 0.31 -1.26 -1.13 118.33 118.40 1j41 n VAL 20 Ca 0.22 -0.01 -0.02 0.00 -0.01 0.00 0.00 64.34 64.52 1j41 n VAL 20 Cb 0.50 -0.44 -0.01 0.00 -0.91 0.00 0.00 33.84 32.98 1j41 n VAL 20 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1j41 h ASP 21 N 0.06 -0.12 -0.06 4.52 3.32 -1.96 -3.43 116.42 118.75 1j41 h ASP 21 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1j41 h ASP 21 Cb 0.32 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1j41 h ASP 21 CO 0.00 0.03 -0.71 -0.33 -1.72 0.00 0.00 179.24 176.52 1j41 h GLU 22 N -0.37 0.70 -0.79 3.56 4.39 -1.87 -3.35 114.58 116.85 1j41 h GLU 22 Ca -0.01 -0.53 -0.04 0.00 0.34 0.00 0.00 59.36 59.12 1j41 h GLU 22 Cb 0.11 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1j41 h GLU 22 CO 0.02 1.15 0.35 0.28 -1.16 0.00 0.00 179.01 179.66 1j41 h VAL 23 N 0.49 1.25 -0.46 3.13 2.07 -1.39 0.46 116.25 121.81 1j41 h VAL 23 Ca -0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1j41 h VAL 23 Cb 1.31 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1j41 h VAL 23 CO 0.14 0.31 0.30 1.23 0.02 0.00 0.00 177.57 179.57 1j41 h GLY 24 N 1.13 0.66 1.30 2.17 0.00 -1.75 0.26 103.07 106.84 1j41 h GLY 24 Ca 0.27 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1j41 h GLY 24 CO -0.03 0.25 -0.02 -1.33 0.00 0.00 0.00 176.54 175.41 1j41 h GLY 25 N 0.62 0.91 1.04 4.60 0.00 -1.52 -0.31 103.07 108.41 1j41 h GLY 25 Ca 0.17 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1j41 h GLY 25 CO -0.03 0.59 -0.15 0.83 0.00 0.00 0.00 176.54 177.77 1j41 h GLU 26 N 0.78 0.87 -0.23 4.80 5.08 -0.64 0.24 114.58 125.49 1j41 h GLU 26 Ca 0.14 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1j41 h GLU 26 Cb 0.50 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1j41 h GLU 26 CO 0.03 1.00 0.02 0.00 -1.00 0.00 0.00 179.01 179.05 1j41 h ALA 27 N 0.85 0.30 -0.39 3.43 0.00 -0.72 0.43 119.26 123.16 1j41 h ALA 27 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1j41 h ALA 27 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1j41 h ALA 27 CO 0.05 0.00 0.08 1.25 0.00 0.00 0.00 179.25 180.63 1j41 h LEU 28 N 0.17 0.62 -0.26 0.00 5.85 -1.04 -0.82 115.31 119.82 1j41 h LEU 28 Ca 0.07 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1j41 h LEU 28 Cb 0.36 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1j41 h LEU 28 CO 0.01 0.71 0.06 1.23 -0.34 0.00 0.00 178.44 180.11 1j41 h GLY 29 N 0.50 0.31 1.51 3.75 0.00 -0.49 -1.96 103.07 106.68 1j41 h GLY 29 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 1j41 h GLY 29 CO 0.01 0.00 0.05 3.21 0.00 0.00 0.00 176.54 179.81 1j41 h ARG 30 N 0.17 0.62 -0.38 4.80 3.08 -0.71 -0.55 114.38 121.40 1j41 h ARG 30 Ca 0.12 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1j41 h ARG 30 Cb 0.11 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1j41 h ARG 30 CO -0.15 0.61 0.09 1.25 -1.07 0.00 0.00 179.97 180.70 1j41 h LEU 31 N 0.60 0.04 -1.10 3.04 5.85 -0.68 0.17 115.31 123.23 1j41 h LEU 31 Ca 0.13 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1j41 h LEU 31 Cb 0.31 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1j41 h LEU 31 CO 0.01 0.06 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.85 1j41 h LEU 32 N 0.22 0.00 0.07 2.25 4.07 -0.61 -0.30 115.31 121.00 1j41 h LEU 32 Ca 0.18 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.96 1j41 h LEU 32 Cb 0.20 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1j41 h LEU 32 CO -0.22 0.24 -0.89 0.58 -1.08 0.00 0.00 178.44 177.07 1j41 h VAL 33 N 0.00 1.31 0.01 1.22 2.07 -0.67 -3.24 116.25 116.94 1j41 h VAL 33 Ca -0.00 -2.37 -0.22 0.00 0.82 0.00 0.00 66.70 64.93 1j41 h VAL 33 Cb 0.76 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1j41 h VAL 33 CO 0.03 0.60 -0.93 0.58 0.02 0.00 0.00 177.57 177.87 1j41 h VAL 34 N -0.64 1.44 -2.38 2.57 2.07 -0.66 -3.35 116.25 115.30 1j41 h VAL 34 Ca -0.20 -2.55 -0.60 0.00 0.82 0.00 0.00 66.70 64.18 1j41 h VAL 34 Cb 1.45 2.46 -0.41 0.00 -1.52 0.00 0.00 31.29 33.27 1j41 h VAL 34 CO 0.01 0.75 -0.72 -1.22 0.02 0.00 0.00 177.57 176.41 1j41 n TYR 35 N -3.70 2.38 0.29 1.57 4.01 -0.13 -4.98 117.16 116.60 1j41 n TYR 35 Ca -0.06 -4.00 0.15 0.00 -0.16 0.00 0.00 57.90 53.83 1j41 n TYR 35 Cb 0.83 -0.46 0.70 0.00 -0.31 0.00 0.00 39.34 40.10 1j41 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j41 h PRO 36 N 4.56 0.00 -0.00 -0.72 0.13 -1.70 -0.95 132.00 133.31 1j41 h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1j41 h PRO 36 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1j41 h PRO 36 CO 0.70 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.58 1j41 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.71 115.95 113.98 1j41 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j41 h TRP 37 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 1j41 h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1j41 n THR 38 N -3.71 1.02 0.28 0.12 -2.24 -0.36 -1.99 114.28 107.40 1j41 n THR 38 Ca -0.03 0.36 0.18 0.00 -2.27 0.00 0.00 64.05 62.30 1j41 n THR 38 Cb 0.08 -1.28 0.96 0.00 -2.10 0.00 0.00 70.33 67.99 1j41 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1j41 h GLN 39 N 0.00 0.00 -0.83 -0.78 4.20 -1.51 -3.02 115.11 113.17 1j41 h GLN 39 Ca 0.00 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.93 1j41 h GLN 39 Cb 0.23 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1j41 h GLN 39 CO 0.00 0.00 0.58 0.07 -0.67 0.00 0.00 178.83 178.81 1j41 h ARG 40 N 0.00 0.15 -0.00 1.46 0.11 -1.62 -0.43 114.38 114.04 1j41 h ARG 40 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1j41 h ARG 40 Cb 0.04 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1j41 h ARG 40 CO 0.00 0.10 -0.15 1.19 0.10 0.00 0.00 179.97 181.21 1j41 n PHE 41 N -4.38 0.00 -2.11 4.08 3.72 -1.14 -4.25 117.46 113.39 1j41 n PHE 41 Ca 0.17 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.59 1j41 n PHE 41 Cb 0.80 -0.17 0.10 0.00 -0.94 0.00 0.00 39.48 39.27 1j41 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j41 n PHE 42 N -0.90 0.39 -0.22 1.38 3.72 -0.17 -4.83 117.46 116.82 1j41 n PHE 42 Ca 0.14 -1.24 0.07 0.00 -0.05 0.00 0.00 57.45 56.37 1j41 n PHE 42 Cb 0.29 -0.22 0.34 0.00 -0.94 0.00 0.00 39.48 38.95 1j41 n PHE 42 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1j41 h GLU 43 N 1.26 0.77 0.00 -1.08 4.81 -1.74 -1.16 114.58 117.46 1j41 h GLU 43 Ca -0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1j41 h GLU 43 Cb 1.43 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1j41 h GLU 43 CO 0.13 0.51 0.00 -1.13 -0.73 0.00 0.00 179.01 177.79 1j41 n SER 44 N -4.49 0.04 -0.03 1.04 3.41 -1.26 -3.07 113.62 109.26 1j41 n SER 44 Ca 0.12 0.51 0.15 0.00 -0.26 0.00 0.00 58.87 59.39 1j41 n SER 44 Cb 0.26 -0.52 0.76 0.00 -0.26 0.00 0.00 64.21 64.45 1j41 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j41 n PHE 45 N -1.55 0.00 -0.98 7.33 3.01 -0.44 -5.02 117.46 119.82 1j41 n PHE 45 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1j41 n PHE 45 Cb 0.14 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 1j41 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j41 n GLY 46 N 1.23 0.78 3.63 1.37 0.00 -1.17 -4.70 105.19 106.33 1j41 n GLY 46 Ca 0.16 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1j41 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j41 s ASP 47 N -4.00 6.35 -0.13 1.61 -1.08 -1.26 -4.85 116.67 113.32 1j41 s ASP 47 Ca 0.00 1.52 0.16 0.00 -0.52 0.00 0.00 52.55 53.71 1j41 s ASP 47 Cb 0.00 -2.53 0.38 0.00 -1.46 0.00 0.00 42.92 39.31 1j41 s ASP 47 CO 0.00 -1.30 1.18 0.18 0.52 0.00 0.00 175.17 175.76 1j41 n LEU 48 N 8.57 1.99 0.20 -1.34 4.77 -1.26 -4.17 117.00 125.76 1j41 n LEU 48 Ca 0.19 -3.06 0.12 0.00 -0.03 0.00 0.00 56.01 53.23 1j41 n LEU 48 Cb 0.46 -0.33 0.19 0.00 -2.33 0.00 0.00 43.42 41.40 1j41 n LEU 48 CO 0.65 0.98 0.78 0.77 -1.33 0.00 0.00 177.39 179.25 1j41 h SER 49 N 0.81 0.00 -5.44 -1.43 4.64 -1.89 -3.43 113.55 106.80 1j41 h SER 49 Ca -0.07 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.07 1j41 h SER 49 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1j41 h SER 49 CO 0.03 0.00 -0.59 0.42 -0.87 0.00 0.00 176.83 175.82 1j41 s THR 50 N -3.21 0.07 0.20 2.95 -4.23 -1.26 -5.01 115.64 105.15 1j41 s THR 50 Ca 0.07 -1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 58.61 1j41 s THR 50 Cb 0.06 -2.14 0.13 0.00 1.34 0.00 0.00 72.50 71.89 1j41 s THR 50 CO 0.67 -0.32 1.76 -0.65 -0.54 0.00 0.00 174.62 175.54 1j41 h PRO 51 N 2.76 0.45 -0.51 3.99 0.11 -1.97 -1.42 132.00 135.41 1j41 h PRO 51 Ca -0.35 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 1j41 h PRO 51 Cb 1.22 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1j41 h PRO 51 CO 0.56 0.30 0.01 -0.44 -0.21 0.00 0.00 178.00 178.22 1j41 h ASP 52 N 0.46 0.80 -0.89 -2.05 3.32 -1.98 0.94 116.42 117.03 1j41 h ASP 52 Ca 0.29 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1j41 h ASP 52 Cb 0.30 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1j41 h ASP 52 CO -0.26 0.86 0.48 0.00 -1.72 0.00 0.00 179.24 178.60 1j41 h ALA 53 N 1.23 1.16 0.05 3.45 0.00 -1.75 -1.40 119.26 122.00 1j41 h ALA 53 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j41 h ALA 53 Cb 0.45 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j41 h ALA 53 CO 0.02 0.66 -0.02 0.28 0.00 0.00 0.00 179.25 180.19 1j41 h VAL 54 N 1.25 1.29 -0.36 0.00 2.07 -0.91 -2.71 116.25 116.87 1j41 h VAL 54 Ca 0.31 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1j41 h VAL 54 Cb 0.04 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1j41 h VAL 54 CO -0.05 0.30 -0.18 0.24 0.02 0.00 0.00 177.57 177.90 1j41 h MET 55 N -0.63 0.68 -0.13 1.57 2.07 -0.68 -2.07 114.93 115.74 1j41 h MET 55 Ca -0.01 -0.25 0.00 0.00 -2.07 0.00 0.00 59.70 57.38 1j41 h MET 55 Cb 0.55 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 1j41 h MET 55 CO 0.01 0.82 0.00 0.41 1.07 0.00 0.00 176.91 179.22 1j41 n GLY 56 N -0.37 0.46 3.66 8.32 0.00 -0.54 -4.83 105.19 111.89 1j41 n GLY 56 Ca 0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1j41 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j41 s ASN 57 N -1.74 6.47 0.42 1.61 3.84 -0.78 -4.86 114.94 119.91 1j41 s ASN 57 Ca 0.34 2.43 0.12 0.00 0.21 0.00 0.00 52.86 55.97 1j41 s ASN 57 Cb 0.19 -2.53 0.92 0.00 -0.55 0.00 0.00 41.25 39.28 1j41 s ASN 57 CO 0.30 -1.06 1.97 -0.65 -2.79 0.00 0.00 177.10 174.86 1j41 h PRO 58 N 10.45 0.10 -0.09 0.43 0.11 -1.89 -0.91 132.00 140.20 1j41 h PRO 58 Ca -0.45 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 1j41 h PRO 58 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1j41 h PRO 58 CO 0.95 0.26 -0.75 0.87 -0.21 0.00 0.00 178.00 179.12 1j41 h LYS 59 N 0.10 0.49 -0.40 1.05 1.57 -1.89 0.54 116.57 118.03 1j41 h LYS 59 Ca 0.02 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1j41 h LYS 59 Cb 0.33 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1j41 h LYS 59 CO 0.02 1.04 0.24 0.28 -0.57 0.00 0.00 179.45 180.46 1j41 h VAL 60 N 0.34 1.13 -0.34 0.50 2.07 -1.71 -0.63 116.25 117.60 1j41 h VAL 60 Ca -0.04 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1j41 h VAL 60 Cb 1.33 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1j41 h VAL 60 CO 0.13 0.13 0.05 0.11 0.02 0.00 0.00 177.57 178.01 1j41 h LYS 61 N 0.53 0.57 -0.79 1.57 1.57 -1.04 0.26 116.57 119.25 1j41 h LYS 61 Ca 0.14 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1j41 h LYS 61 Cb 0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1j41 h LYS 61 CO -0.03 0.66 0.37 0.00 -0.57 0.00 0.00 179.45 179.88 1j41 h ALA 62 N 0.89 1.01 -0.52 3.86 0.00 -0.83 -2.02 119.26 121.66 1j41 h ALA 62 Ca 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1j41 h ALA 62 Cb 0.37 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1j41 h ALA 62 CO 0.01 0.58 0.05 1.25 0.00 0.00 0.00 179.25 181.14 1j41 h HIS 63 N 1.11 0.95 -0.96 0.00 -0.00 -0.97 -2.83 115.15 112.46 1j41 h HIS 63 Ca 0.27 -0.15 0.16 0.00 -0.00 0.00 0.00 60.37 60.65 1j41 h HIS 63 Cb 0.13 -0.26 -0.08 0.00 -0.00 0.00 0.00 27.41 27.20 1j41 h HIS 63 CO 0.01 0.87 0.61 0.78 -0.00 0.00 0.00 177.93 180.20 1j41 h GLY 64 N 0.77 1.47 1.12 5.26 0.00 -0.61 0.08 103.07 111.15 1j41 h GLY 64 Ca 0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1j41 h GLY 64 CO 0.02 0.06 0.32 1.70 0.00 0.00 0.00 176.54 178.63 1j41 h LYS 65 N 0.77 1.13 -0.25 4.80 3.64 -1.12 0.53 116.57 126.07 1j41 h LYS 65 Ca 0.50 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1j41 h LYS 65 Cb 0.76 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1j41 h LYS 65 CO -0.27 0.90 -0.20 0.87 -2.27 0.00 0.00 179.45 178.49 1j41 h LYS 66 N 1.10 0.57 -0.18 1.90 1.57 -0.95 -1.11 116.57 119.48 1j41 h LYS 66 Ca 0.26 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1j41 h LYS 66 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1j41 h LYS 66 CO -0.02 0.87 0.11 0.28 -0.57 0.00 0.00 179.45 180.12 1j41 h VAL 67 N 0.28 1.05 -0.03 0.50 2.07 -0.85 -2.19 116.25 117.08 1j41 h VAL 67 Ca 0.05 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1j41 h VAL 67 Cb 0.74 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1j41 h VAL 67 CO 0.05 0.05 -0.39 -0.07 0.02 0.00 0.00 177.57 177.23 1j41 h LEU 68 N 0.23 0.07 -0.98 2.57 3.38 -0.88 -1.77 115.31 117.93 1j41 h LEU 68 Ca 0.06 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1j41 h LEU 68 Cb -0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1j41 h LEU 68 CO -0.01 0.46 0.65 1.23 0.09 0.00 0.00 178.44 180.85 1j41 h GLY 69 N 1.19 1.40 1.04 0.83 0.00 -0.84 -0.13 103.07 106.57 1j41 h GLY 69 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1j41 h GLY 69 CO 0.05 0.48 -0.06 0.00 0.00 0.00 0.00 176.54 177.01 1j41 h ALA 70 N 1.37 0.68 -0.76 3.60 0.00 -0.76 -2.34 119.26 121.05 1j41 h ALA 70 Ca 0.37 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1j41 h ALA 70 Cb -0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 1j41 h ALA 70 CO -0.09 0.55 0.43 0.74 0.00 0.00 0.00 179.25 180.88 1j41 h PHE 71 N 0.78 0.78 -0.78 0.00 0.04 -0.73 -1.93 116.94 115.11 1j41 h PHE 71 Ca 0.13 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 1j41 h PHE 71 Cb 0.60 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 1j41 h PHE 71 CO 0.04 0.34 0.40 0.77 -0.60 0.00 0.00 178.31 179.27 1j41 h SER 72 N 0.75 0.99 -0.38 2.17 0.02 -0.80 -0.54 113.55 115.76 1j41 h SER 72 Ca 0.36 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.24 1j41 h SER 72 Cb 0.28 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1j41 h SER 72 CO -0.22 0.81 0.17 0.44 -1.14 0.00 0.00 176.83 176.89 1j41 h ASP 73 N 1.10 0.23 -0.94 3.07 3.32 -0.88 -2.29 116.42 120.03 1j41 h ASP 73 Ca 0.27 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.41 1j41 h ASP 73 Cb 0.06 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1j41 h ASP 73 CO -0.04 0.17 0.60 1.23 -1.72 0.00 0.00 179.24 179.48 1j41 h GLY 74 N 0.35 1.42 2.00 2.75 0.00 -0.46 -2.26 103.07 106.88 1j41 h GLY 74 Ca 0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1j41 h GLY 74 CO -0.13 0.32 -0.13 1.41 0.00 0.00 0.00 176.54 178.00 1j41 h LEU 75 N 1.10 0.00 -0.11 3.11 3.38 -0.61 -1.76 115.31 120.42 1j41 h LEU 75 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1j41 h LEU 75 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1j41 h LEU 75 CO -0.17 0.13 -0.21 0.00 0.09 0.00 0.00 178.44 178.28 1j41 n ALA 76 N -2.19 2.91 -3.45 1.53 0.00 -0.86 -4.64 120.51 113.81 1j41 n ALA 76 Ca -0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 53.44 52.91 1j41 n ALA 76 Cb 0.34 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1j41 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j41 n HIS 77 N -1.26 -0.21 1.10 0.00 8.25 -0.66 -4.98 115.22 117.47 1j41 n HIS 77 Ca 0.09 -3.48 0.13 0.00 -0.26 0.00 0.00 57.72 54.20 1j41 n HIS 77 Cb 0.32 0.07 0.36 0.00 1.12 0.00 0.00 29.99 31.86 1j41 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1j41 n LEU 78 N 2.56 0.55 0.04 2.41 4.32 -1.26 -4.00 117.00 121.62 1j41 n LEU 78 Ca 0.28 0.01 -0.15 0.00 -0.02 0.00 0.00 56.01 56.13 1j41 n LEU 78 Cb 0.46 -0.25 -0.04 0.00 -1.62 0.00 0.00 43.42 41.97 1j41 n LEU 78 CO 0.12 0.12 0.22 0.44 -1.22 0.00 0.00 177.39 177.07 1j41 h ASP 79 N 0.33 0.67 -2.27 -1.43 3.32 -1.94 -3.41 116.42 111.70 1j41 h ASP 79 Ca 0.00 -0.50 -0.55 0.00 0.02 0.00 0.00 57.03 56.01 1j41 h ASP 79 Cb 0.48 -0.20 -0.36 0.00 0.22 0.00 0.00 39.33 39.47 1j41 h ASP 79 CO 0.00 1.28 -0.91 0.21 -1.72 0.00 0.00 179.24 178.10 1j41 s ASN 80 N -7.10 1.38 0.31 6.45 3.84 -1.26 -4.96 114.94 113.59 1j41 s ASN 80 Ca -0.07 -2.79 0.02 0.00 0.21 0.00 0.00 52.86 50.22 1j41 s ASN 80 Cb 0.09 -0.21 0.49 0.00 -0.55 0.00 0.00 41.25 41.07 1j41 s ASN 80 CO 0.88 -0.18 1.83 -0.07 -2.79 0.00 0.00 177.10 176.76 1j41 h LEU 81 N 5.82 0.60 -0.27 3.21 3.38 -1.79 -0.91 115.31 125.36 1j41 h LEU 81 Ca 0.22 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1j41 h LEU 81 Cb 0.94 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1j41 h LEU 81 CO 0.32 0.67 0.13 0.11 0.09 0.00 0.00 178.44 179.76 1j41 h LYS 82 N 0.60 0.26 -0.51 1.13 1.57 -1.89 -0.98 116.57 116.76 1j41 h LYS 82 Ca 0.12 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1j41 h LYS 82 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1j41 h LYS 82 CO 0.01 0.17 -0.17 0.78 -0.57 0.00 0.00 179.45 179.68 1j41 h GLY 83 N 0.27 1.09 0.67 3.86 0.00 -1.91 -2.39 103.07 104.66 1j41 h GLY 83 Ca 0.11 -0.93 0.07 0.00 0.00 0.00 0.00 47.33 46.58 1j41 h GLY 83 CO -0.08 0.85 0.54 -0.84 0.00 0.00 0.00 176.54 177.01 1j41 h THR 84 N 0.88 1.01 -0.60 4.70 2.02 -0.79 -2.95 112.91 117.18 1j41 h THR 84 Ca 0.12 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1j41 h THR 84 Cb 0.75 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1j41 h THR 84 CO 0.06 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.62 1j41 n PHE 85 N -4.63 0.80 -0.15 3.16 3.72 -0.40 -4.60 117.46 115.35 1j41 n PHE 85 Ca 0.13 -0.40 -0.05 0.00 -0.05 0.00 0.00 57.45 57.08 1j41 n PHE 85 Cb 0.21 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.79 1j41 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j41 h ALA 86 N 4.38 0.59 -0.36 4.37 0.00 -1.24 0.27 119.26 127.26 1j41 h ALA 86 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1j41 h ALA 86 Cb 0.99 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1j41 h ALA 86 CO 0.00 -0.15 0.16 1.15 0.00 0.00 0.00 179.25 180.42 1j41 h THR 87 N 0.43 1.17 -0.21 0.00 2.02 -1.82 -0.89 112.91 113.61 1j41 h THR 87 Ca 0.21 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 1j41 h THR 87 Cb 0.15 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1j41 h THR 87 CO -0.17 0.18 -0.28 0.25 0.37 0.00 0.00 175.52 175.88 1j41 h LEU 88 N 0.44 0.41 -0.13 2.58 5.85 -1.76 -1.41 115.31 121.29 1j41 h LEU 88 Ca 0.12 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1j41 h LEU 88 Cb 0.14 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1j41 h LEU 88 CO -0.01 0.69 0.05 -1.28 -0.34 0.00 0.00 178.44 177.54 1j41 h SER 89 N 0.36 0.17 -0.94 1.25 0.87 -0.08 0.14 113.55 115.33 1j41 h SER 89 Ca 0.05 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1j41 h SER 89 Cb 0.68 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.54 1j41 h SER 89 CO 0.05 0.29 0.61 -0.33 -0.53 0.00 0.00 176.83 176.92 1j41 h GLU 90 N 0.05 1.18 -0.21 2.24 5.08 -0.98 -0.97 114.58 120.97 1j41 h GLU 90 Ca 0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1j41 h GLU 90 Cb 0.17 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1j41 h GLU 90 CO -0.00 0.78 0.08 1.25 -1.00 0.00 0.00 179.01 180.12 1j41 h LEU 91 N 1.21 0.29 -1.01 1.33 5.85 -0.98 0.28 115.31 122.29 1j41 h LEU 91 Ca 0.36 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1j41 h LEU 91 Cb -0.05 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1j41 h LEU 91 CO -0.11 0.38 -0.17 0.45 -0.34 0.00 0.00 178.44 178.65 1j41 h HIS 92 N 0.18 0.56 0.25 1.25 3.86 -0.59 -0.89 115.15 119.78 1j41 h HIS 92 Ca 0.07 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1j41 h HIS 92 Cb 0.19 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1j41 h HIS 92 CO -0.01 0.66 -0.12 0.00 0.86 0.00 0.00 177.93 179.32 1j41 h ASP 94 N -1.08 0.00 0.00 0.00 3.32 -0.45 -3.09 116.42 115.13 1j41 h ASP 94 Ca -0.03 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.71 1j41 h ASP 94 Cb 0.29 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1j41 h ASP 94 CO 0.06 0.85 -2.09 0.29 -1.72 0.00 0.00 179.24 176.63 1j41 n LYS 95 N -3.35 0.44 0.06 3.56 4.76 -0.45 -4.74 118.16 118.45 1j41 n LYS 95 Ca 0.00 0.15 0.11 0.00 -2.87 0.00 0.00 58.31 55.70 1j41 n LYS 95 Cb 0.87 -1.29 -0.06 0.00 -1.84 0.00 0.00 35.03 32.71 1j41 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j41 n LEU 96 N -3.48 0.58 -3.73 -0.35 4.77 -0.56 -4.99 117.00 109.25 1j41 n LEU 96 Ca -0.36 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 55.63 1j41 n LEU 96 Cb 0.81 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.90 1j41 n LEU 96 CO 0.10 -0.11 -0.07 1.41 -1.33 0.00 0.00 177.39 177.39 1j41 n HIS 97 N -2.56 -1.91 -3.45 -1.77 8.25 -0.24 -4.96 115.22 108.57 1j41 n HIS 97 Ca -0.02 0.84 -0.39 0.00 -0.26 0.00 0.00 57.72 57.89 1j41 n HIS 97 Cb 0.57 -4.34 -0.10 0.00 1.12 0.00 0.00 29.99 27.25 1j41 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j41 s VAL 98 N -3.67 5.22 0.07 1.59 1.01 -0.69 -5.04 120.40 118.88 1j41 s VAL 98 Ca 0.03 0.39 -0.31 0.00 0.00 0.00 0.00 61.98 62.10 1j41 s VAL 98 Cb -0.02 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1j41 s VAL 98 CO 0.82 0.16 1.91 -0.67 0.00 0.00 0.00 175.10 177.32 1j41 n ASP 99 N 5.25 4.07 0.11 3.32 -0.08 -1.26 -4.75 116.55 123.20 1j41 n ASP 99 Ca -0.10 0.94 0.08 0.00 -1.51 0.00 0.00 54.79 54.21 1j41 n ASP 99 Cb 0.51 -1.52 0.42 0.00 2.34 0.00 0.00 41.12 42.87 1j41 n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1j41 n PRO 100 N 6.62 0.11 -0.05 -0.67 -0.02 -1.26 -1.56 135.00 138.16 1j41 n PRO 100 Ca 0.19 0.56 0.16 0.00 -2.02 0.00 0.00 63.50 62.39 1j41 n PRO 100 Cb 0.38 -1.82 0.58 0.00 -0.02 0.00 0.00 33.50 32.63 1j41 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j41 h GLU 101 N 0.00 0.23 -0.56 -0.52 4.57 -1.98 0.03 114.58 116.34 1j41 h GLU 101 Ca 0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 1j41 h GLU 101 Cb 0.06 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1j41 h GLU 101 CO 0.00 0.15 0.37 -0.91 -1.18 0.00 0.00 179.01 177.44 1j41 h ASN 102 N 0.23 0.39 -0.19 1.04 4.21 -1.66 -2.00 115.58 117.61 1j41 h ASN 102 Ca 0.27 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.69 1j41 h ASN 102 Cb 0.76 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 1j41 h ASN 102 CO -0.05 0.24 -0.21 -0.26 -1.29 0.00 0.00 177.43 175.86 1j41 h PHE 103 N 0.44 0.70 -0.33 1.19 0.04 -1.18 -0.16 116.94 117.64 1j41 h PHE 103 Ca 0.25 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.78 1j41 h PHE 103 Cb 0.41 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1j41 h PHE 103 CO -0.00 0.79 -0.18 0.00 -0.60 0.00 0.00 178.31 178.32 1j41 h ARG 104 N 0.56 0.71 -0.13 1.51 3.08 -1.41 -1.52 114.38 117.17 1j41 h ARG 104 Ca 0.08 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1j41 h ARG 104 Cb 0.66 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1j41 h ARG 104 CO 0.05 0.92 0.08 -0.07 -1.07 0.00 0.00 179.97 179.87 1j41 h LEU 105 N 0.48 0.16 -0.95 3.04 3.38 -1.08 -2.24 115.31 118.11 1j41 h LEU 105 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1j41 h LEU 105 Cb 0.72 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1j41 h LEU 105 CO 0.05 0.18 0.54 0.25 0.09 0.00 0.00 178.44 179.56 1j41 h LEU 106 N 0.13 1.13 -0.52 1.67 5.85 -1.00 -0.74 115.31 121.83 1j41 h LEU 106 Ca 0.05 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1j41 h LEU 106 Cb 0.06 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1j41 h LEU 106 CO -0.01 0.88 0.25 1.23 -0.34 0.00 0.00 178.44 180.46 1j41 h GLY 107 N 1.29 0.72 1.69 3.75 0.00 -1.04 0.16 103.07 109.65 1j41 h GLY 107 Ca 0.33 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 1j41 h GLY 107 CO -0.06 0.10 -0.54 3.43 0.00 0.00 0.00 176.54 179.47 1j41 h ASN 108 N 0.49 0.36 -0.65 0.19 2.35 -0.92 -1.69 115.58 115.71 1j41 h ASN 108 Ca 0.23 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1j41 h ASN 108 Cb 0.16 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1j41 h ASN 108 CO -0.17 0.83 0.14 0.58 -1.65 0.00 0.00 177.43 177.16 1j41 h VAL 109 N 0.25 1.26 -0.70 2.81 2.07 -0.67 -1.70 116.25 119.57 1j41 h VAL 109 Ca 0.00 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.57 1j41 h VAL 109 Cb 1.03 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1j41 h VAL 109 CO 0.09 0.37 0.45 0.25 0.02 0.00 0.00 177.57 178.75 1j41 h LEU 110 N 0.98 0.77 -0.68 2.57 5.85 -0.44 -0.34 115.31 124.02 1j41 h LEU 110 Ca 0.20 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1j41 h LEU 110 Cb 0.39 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1j41 h LEU 110 CO 0.01 0.55 0.41 0.58 -0.34 0.00 0.00 178.44 179.64 1j41 h VAL 111 N 0.91 1.04 -0.93 1.05 2.07 -1.04 0.26 116.25 119.60 1j41 h VAL 111 Ca 0.27 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1j41 h VAL 111 Cb -0.05 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 1j41 h VAL 111 CO -0.08 0.14 0.59 0.00 0.02 0.00 0.00 177.57 178.24 1j41 h VAL 113 N 1.27 1.28 -0.62 0.00 2.07 -0.23 -0.44 116.25 119.57 1j41 h VAL 113 Ca 0.34 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1j41 h VAL 113 Cb -0.10 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1j41 h VAL 113 CO -0.07 0.46 0.28 -0.07 0.02 0.00 0.00 177.57 178.18 1j41 h LEU 114 N 0.72 0.83 -0.55 2.57 3.38 -0.64 -0.41 115.31 121.20 1j41 h LEU 114 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1j41 h LEU 114 Cb 0.77 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1j41 h LEU 114 CO 0.06 0.75 0.33 0.00 0.09 0.00 0.00 178.44 179.68 1j41 h ALA 115 N 1.11 0.70 -0.72 1.53 0.00 -0.91 -0.40 119.26 120.56 1j41 h ALA 115 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1j41 h ALA 115 Cb 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1j41 h ALA 115 CO -0.02 0.18 0.47 1.25 0.00 0.00 0.00 179.25 181.13 1j41 h HIS 116 N 0.74 0.92 0.02 0.00 -0.00 -0.58 0.59 115.15 116.83 1j41 h HIS 116 Ca 0.20 0.02 -0.27 0.00 -0.00 0.00 0.00 60.37 60.31 1j41 h HIS 116 Cb -0.02 -0.31 0.02 0.00 -0.00 0.00 0.00 27.41 27.10 1j41 h HIS 116 CO -0.02 0.59 -1.07 0.45 -0.00 0.00 0.00 177.93 177.87 1j41 h HIS 117 N 0.98 1.05 0.00 5.26 -0.00 -0.90 -3.36 115.15 118.19 1j41 h HIS 117 Ca 0.26 -0.58 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 1j41 h HIS 117 Cb -0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.20 1j41 h HIS 117 CO -0.02 1.42 -1.20 1.19 -0.00 0.00 0.00 177.93 179.32 1j41 n PHE 118 N -3.85 0.03 -0.81 2.45 3.72 -0.18 -5.04 117.46 113.79 1j41 n PHE 118 Ca -0.11 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1j41 n PHE 118 Cb 0.90 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 1j41 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j41 n GLY 119 N 1.43 3.40 0.33 1.37 0.00 0.19 -1.87 105.19 110.05 1j41 n GLY 119 Ca 0.02 -0.14 0.22 0.00 0.00 0.00 0.00 46.02 46.12 1j41 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j41 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 0.12 116.57 118.44 1j41 h LYS 120 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1j41 h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1j41 h LYS 120 CO 0.00 0.00 -0.20 1.49 -2.00 0.00 0.00 179.45 178.74 1j41 h GLU 121 N 0.00 0.00 -3.72 0.07 4.81 -1.77 -3.30 114.58 110.67 1j41 h GLU 121 Ca -0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1j41 h GLU 121 Cb 0.02 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.31 1j41 h GLU 121 CO 0.00 0.20 2.64 0.34 -0.73 0.00 0.00 179.01 181.46 1j41 n PHE 122 N -3.48 3.21 -1.13 0.92 7.35 0.03 -4.92 117.46 119.43 1j41 n PHE 122 Ca -0.01 -2.89 -0.30 0.00 -0.76 0.00 0.00 57.45 53.50 1j41 n PHE 122 Cb 0.37 -2.26 0.14 0.00 0.35 0.00 0.00 39.48 38.08 1j41 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j41 s THR 123 N 1.80 2.69 0.19 -2.13 -4.23 -1.25 -4.65 115.64 108.06 1j41 s THR 123 Ca 0.44 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 61.04 1j41 s THR 123 Cb 0.12 -2.64 0.14 0.00 1.34 0.00 0.00 72.50 71.46 1j41 s THR 123 CO -0.05 -0.29 1.68 -0.65 -0.54 0.00 0.00 174.62 174.78 1j41 h PRO 124 N -1.57 0.13 -0.63 3.99 0.11 -1.93 0.13 132.00 132.23 1j41 h PRO 124 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1j41 h PRO 124 Cb 1.28 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1j41 h PRO 124 CO 0.53 0.08 0.36 -1.35 -0.21 0.00 0.00 178.00 177.41 1j41 h PRO 125 N 0.13 0.86 -0.35 1.05 0.11 -1.99 -0.88 132.00 130.93 1j41 h PRO 125 Ca 0.26 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 1j41 h PRO 125 Cb 0.40 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1j41 h PRO 125 CO -0.42 0.62 -0.02 0.28 -0.21 0.00 0.00 178.00 178.25 1j41 h VAL 126 N 0.87 1.26 -0.50 3.15 2.07 -1.72 -2.30 116.25 119.08 1j41 h VAL 126 Ca 0.23 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.80 1j41 h VAL 126 Cb -0.00 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1j41 h VAL 126 CO -0.04 0.34 0.16 -0.61 0.02 0.00 0.00 177.57 177.44 1j41 h GLN 127 N 0.44 0.31 -0.89 1.57 4.15 -0.50 -0.96 115.11 119.23 1j41 h GLN 127 Ca 0.10 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1j41 h GLN 127 Cb 0.49 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 1j41 h GLN 127 CO 0.02 0.21 0.55 0.00 -1.93 0.00 0.00 178.83 177.67 1j41 h ALA 128 N 1.35 1.29 -0.34 3.38 0.00 -0.89 0.44 119.26 124.49 1j41 h ALA 128 Ca 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1j41 h ALA 128 Cb 0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1j41 h ALA 128 CO -0.27 0.62 0.15 0.00 0.00 0.00 0.00 179.25 179.75 1j41 h ALA 129 N 1.38 0.44 -0.20 0.00 0.00 -1.06 -2.24 119.26 117.59 1j41 h ALA 129 Ca 0.32 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1j41 h ALA 129 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1j41 h ALA 129 CO -0.06 0.02 -0.14 1.88 0.00 0.00 0.00 179.25 180.95 1j41 h TYR 130 N 0.41 0.35 -0.58 0.00 0.05 0.08 -1.53 116.97 115.75 1j41 h TYR 130 Ca 0.12 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1j41 h TYR 130 Cb 0.15 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1j41 h TYR 130 CO -0.01 0.47 0.10 1.96 -1.05 0.00 0.00 178.16 179.62 1j41 h GLN 131 N 0.31 0.94 -0.68 4.88 1.08 0.06 0.15 115.11 121.85 1j41 h GLN 131 Ca 0.06 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 1j41 h GLN 131 Cb 0.44 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 1j41 h GLN 131 CO 0.03 0.87 0.37 0.87 -0.95 0.00 0.00 178.83 180.01 1j41 h LYS 132 N 0.89 0.96 0.38 1.46 1.57 -0.79 -1.36 116.57 119.67 1j41 h LYS 132 Ca 0.18 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1j41 h LYS 132 Cb 0.39 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1j41 h LYS 132 CO 0.01 0.73 -0.20 0.28 -0.57 0.00 0.00 179.45 179.69 1j41 h VAL 133 N 0.94 0.58 -0.11 0.50 2.07 -0.73 -0.53 116.25 118.98 1j41 h VAL 133 Ca 0.24 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.64 1j41 h VAL 133 Cb 0.05 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1j41 h VAL 133 CO -0.04 0.00 -0.46 -0.37 0.02 0.00 0.00 177.57 176.72 1j41 h VAL 134 N -0.54 1.33 -0.58 2.57 -1.51 -0.94 0.04 116.25 116.62 1j41 h VAL 134 Ca -0.05 -1.65 -0.10 0.00 -1.23 0.00 0.00 66.70 63.68 1j41 h VAL 134 Cb 0.43 1.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.33 1j41 h VAL 134 CO 0.07 0.49 -0.02 0.00 -1.23 0.00 0.00 177.57 176.88 1j41 h ALA 135 N 1.31 0.78 -0.47 5.19 0.00 -1.21 -0.91 119.26 123.95 1j41 h ALA 135 Ca 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1j41 h ALA 135 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1j41 h ALA 135 CO 0.07 0.63 0.16 0.78 0.00 0.00 0.00 179.25 180.90 1j41 h GLY 136 N 0.92 0.78 0.92 0.00 0.00 -0.50 0.04 103.07 105.23 1j41 h GLY 136 Ca 0.16 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1j41 h GLY 136 CO 0.03 0.42 0.13 -2.08 0.00 0.00 0.00 176.54 175.04 1j41 h VAL 137 N 0.62 1.17 -0.54 4.60 2.07 -0.97 -0.37 116.25 122.83 1j41 h VAL 137 Ca 0.15 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1j41 h VAL 137 Cb 0.24 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1j41 h VAL 137 CO -0.01 0.18 0.26 0.00 0.02 0.00 0.00 177.57 178.02 1j41 h ALA 138 N 0.98 0.69 -0.77 1.67 0.00 -1.01 0.76 119.26 121.58 1j41 h ALA 138 Ca 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1j41 h ALA 138 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1j41 h ALA 138 CO -0.01 0.25 0.30 -0.91 0.00 0.00 0.00 179.25 178.88 1j41 h ASN 139 N 0.72 1.07 -0.53 0.00 2.35 -0.90 -0.75 115.58 117.54 1j41 h ASN 139 Ca 0.18 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1j41 h ASN 139 Cb 0.11 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1j41 h ASN 139 CO -0.02 0.96 0.12 0.00 -1.65 0.00 0.00 177.43 176.84 1j41 h ALA 140 N 1.15 0.70 0.00 -0.83 0.00 -0.65 -2.12 119.26 117.51 1j41 h ALA 140 Ca 0.26 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1j41 h ALA 140 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1j41 h ALA 140 CO -0.02 0.41 -0.31 -0.07 0.00 0.00 0.00 179.25 179.26 1j41 h LEU 141 N 0.75 0.00 0.00 0.00 3.38 -0.60 -2.49 115.31 116.35 1j41 h LEU 141 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j41 h LEU 141 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1j41 h LEU 141 CO 0.00 0.31 -0.08 0.00 0.09 0.00 0.00 178.44 178.77 1j41 n ALA 142 N -2.38 2.48 0.09 1.53 0.00 -0.31 -4.42 120.51 117.50 1j41 n ALA 142 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 1j41 n ALA 142 Cb 0.39 -1.42 0.09 0.00 0.00 0.00 0.00 19.45 18.51 1j41 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j41 h HIS 143 N 0.00 0.27 -0.45 0.00 6.17 -0.91 -2.56 115.15 117.67 1j41 h HIS 143 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 60.37 60.96 1j41 h HIS 143 Cb 0.55 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.43 1j41 h HIS 143 CO 0.00 0.81 0.00 1.63 0.71 0.00 0.00 177.93 181.08 1j41 n LYS 144 N -3.81 2.14 -2.07 5.26 4.76 -1.26 -4.89 118.16 118.28 1j41 n LYS 144 Ca -0.02 -1.76 -0.37 0.00 -2.87 0.00 0.00 58.31 53.29 1j41 n LYS 144 Cb 0.66 -1.40 0.02 0.00 -1.84 0.00 0.00 35.03 32.47 1j41 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j41 s TYR 145 N -1.40 2.57 0.00 2.13 1.51 -0.97 -4.75 117.35 116.44 1j41 s TYR 145 Ca 0.34 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.89 1j41 s TYR 145 Cb 0.18 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.52 1j41 s TYR 145 CO 0.24 -2.06 0.00 -2.39 -1.11 0.00 0.00 175.55 170.23