#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 2.41 -2.50 6.34 1.44 -1.26 -5.00 115.22 116.64 1j41 n HIS 2 Ca 0.00 -3.67 -0.42 0.00 -2.01 0.00 0.00 57.72 51.62 1j41 n HIS 2 Cb 0.00 -0.39 -0.03 0.00 0.12 0.00 0.00 29.99 29.69 1j41 n HIS 2 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1j41 s LEU 3 N -3.12 4.37 0.76 2.39 2.01 -1.26 -5.03 118.68 118.80 1j41 s LEU 3 Ca 0.43 1.91 -0.11 0.00 0.01 0.00 0.00 54.13 56.37 1j41 s LEU 3 Cb 0.34 -3.58 0.05 0.00 0.01 0.00 0.00 46.19 43.02 1j41 s LEU 3 CO -0.11 -0.42 1.10 0.42 1.01 0.00 0.00 176.35 178.36 1j41 s THR 4 N 1.08 3.18 0.26 5.49 -4.23 -1.26 -4.78 115.64 115.37 1j41 s THR 4 Ca 0.57 0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 61.46 1j41 s THR 4 Cb -0.27 -2.87 0.26 0.00 1.34 0.00 0.00 72.50 70.96 1j41 s THR 4 CO 0.29 -0.47 1.66 -0.65 -0.54 0.00 0.00 174.62 174.92 1j41 h PRO 5 N -0.96 0.21 -0.02 3.99 0.11 -1.99 0.11 132.00 133.46 1j41 h PRO 5 Ca -0.44 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1j41 h PRO 5 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1j41 h PRO 5 CO 0.51 0.14 -0.45 1.05 -0.21 0.00 0.00 178.00 179.04 1j41 h GLU 6 N 0.22 0.04 0.01 1.05 9.09 -1.99 -1.81 114.58 121.19 1j41 h GLU 6 Ca 0.45 -0.02 -0.22 0.00 0.05 0.00 0.00 59.36 59.62 1j41 h GLU 6 Cb 0.82 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.91 1j41 h GLU 6 CO -0.58 0.49 -0.95 0.93 0.05 0.00 0.00 179.01 178.95 1j41 h GLU 7 N 0.04 0.31 -0.47 1.06 5.08 -1.70 -2.10 114.58 116.80 1j41 h GLU 7 Ca -0.00 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1j41 h GLU 7 Cb 0.81 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1j41 h GLU 7 CO 0.06 1.05 0.31 0.87 -1.00 0.00 0.00 179.01 180.30 1j41 h LYS 8 N 0.16 0.61 -0.71 2.33 1.57 -0.70 -0.61 116.57 119.23 1j41 h LYS 8 Ca -0.07 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1j41 h LYS 8 Cb 1.59 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.73 1j41 h LYS 8 CO 0.15 0.41 0.37 0.77 -0.57 0.00 0.00 179.45 180.58 1j41 h SER 9 N 0.63 0.91 -0.51 0.86 0.02 -1.33 -1.72 113.55 112.42 1j41 h SER 9 Ca 0.17 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1j41 h SER 9 Cb -0.07 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1j41 h SER 9 CO -0.04 0.77 -0.15 0.00 -1.14 0.00 0.00 176.83 176.26 1j41 h ALA 10 N 1.18 0.74 -0.13 3.77 0.00 -1.11 -0.87 119.26 122.84 1j41 h ALA 10 Ca 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1j41 h ALA 10 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1j41 h ALA 10 CO -0.04 0.67 0.05 0.28 0.00 0.00 0.00 179.25 180.22 1j41 h VAL 11 N 0.89 1.16 -0.70 0.00 2.07 -0.98 -1.88 116.25 116.80 1j41 h VAL 11 Ca 0.13 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1j41 h VAL 11 Cb 0.73 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1j41 h VAL 11 CO 0.06 0.14 0.46 0.74 0.02 0.00 0.00 177.57 178.99 1j41 h THR 12 N 0.05 1.18 -0.17 2.57 2.02 -1.23 -0.72 112.91 116.61 1j41 h THR 12 Ca 0.04 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1j41 h THR 12 Cb 0.18 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1j41 h THR 12 CO -0.00 0.18 0.07 0.00 0.37 0.00 0.00 175.52 176.13 1j41 h ALA 13 N 1.25 0.22 -0.53 6.16 0.00 -1.07 -1.50 119.26 123.79 1j41 h ALA 13 Ca 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1j41 h ALA 13 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1j41 h ALA 13 CO -0.05 -0.19 0.26 1.25 0.00 0.00 0.00 179.25 180.52 1j41 h LEU 14 N 0.12 0.68 -1.36 0.00 6.46 -1.21 -2.85 115.31 117.15 1j41 h LEU 14 Ca 0.06 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1j41 h LEU 14 Cb 0.18 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1j41 h LEU 14 CO -0.00 0.60 0.02 -0.25 -0.62 0.00 0.00 178.44 178.19 1j41 h TRP 15 N 0.70 0.45 0.00 1.25 2.91 -0.96 0.71 115.95 121.02 1j41 h TRP 15 Ca 0.18 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1j41 h TRP 15 Cb 0.10 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 1j41 h TRP 15 CO -0.01 0.44 0.00 0.41 -1.03 0.00 0.00 178.44 178.25 1j41 n GLY 16 N -1.01 -0.86 0.65 2.65 0.00 -0.58 -1.49 105.19 104.56 1j41 n GLY 16 Ca 0.01 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1j41 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j41 n LYS 17 N -2.18 1.59 -2.67 1.61 5.02 0.23 -5.00 118.16 116.76 1j41 n LYS 17 Ca -0.01 -1.41 -0.42 0.00 -2.02 0.00 0.00 58.31 54.45 1j41 n LYS 17 Cb 0.05 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.68 4.77 -0.50 -0.18 1.01 -0.55 -5.01 120.40 118.25 1j41 s VAL 18 Ca 0.20 1.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.93 1j41 s VAL 18 Cb 0.15 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1j41 s VAL 18 CO 0.29 0.15 0.87 0.21 0.00 0.00 0.00 175.10 176.62 1j41 s ASN 19 N 1.02 6.39 0.28 3.32 3.84 -1.26 -4.94 114.94 123.58 1j41 s ASN 19 Ca 0.53 -0.21 0.04 0.00 0.21 0.00 0.00 52.86 53.42 1j41 s ASN 19 Cb -0.22 -2.42 0.39 0.00 -0.55 0.00 0.00 41.25 38.46 1j41 s ASN 19 CO 0.28 -1.08 1.69 -0.37 -2.79 0.00 0.00 177.10 174.82 1j41 h VAL 20 N 6.01 1.29 -0.18 -5.21 -1.51 -1.97 0.27 116.25 114.96 1j41 h VAL 20 Ca -0.25 -1.44 0.00 0.00 -1.23 0.00 0.00 66.70 63.78 1j41 h VAL 20 Cb 1.08 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 1j41 h VAL 20 CO 1.03 0.44 0.11 0.44 -1.23 0.00 0.00 177.57 178.37 1j41 h ASP 21 N 0.33 0.19 0.17 4.19 5.19 -1.94 0.80 116.42 125.35 1j41 h ASP 21 Ca 0.04 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 1j41 h ASP 21 Cb 0.78 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1j41 h ASP 21 CO 0.06 0.14 -0.08 -0.33 -3.12 0.00 0.00 179.24 175.91 1j41 h GLU 22 N 0.23 -0.23 -0.71 3.56 5.08 -1.93 -2.41 114.58 118.18 1j41 h GLU 22 Ca 0.07 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1j41 h GLU 22 Cb -0.02 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1j41 h GLU 22 CO -0.02 0.19 0.18 0.28 -1.00 0.00 0.00 179.01 178.63 1j41 h VAL 23 N -0.85 1.26 -0.20 3.13 2.07 -1.00 -0.88 116.25 119.78 1j41 h VAL 23 Ca -0.02 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1j41 h VAL 23 Cb 0.52 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1j41 h VAL 23 CO 0.04 0.37 0.01 1.23 0.02 0.00 0.00 177.57 179.24 1j41 h GLY 24 N 1.09 0.38 1.03 2.17 0.00 -0.92 -0.27 103.07 106.54 1j41 h GLY 24 Ca 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1j41 h GLY 24 CO 0.00 0.25 0.30 -1.33 0.00 0.00 0.00 176.54 175.75 1j41 h GLY 25 N 0.12 1.15 1.01 4.60 0.00 -1.36 -2.07 103.07 106.52 1j41 h GLY 25 Ca 0.06 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 1j41 h GLY 25 CO 0.01 0.58 -0.03 0.83 0.00 0.00 0.00 176.54 177.94 1j41 h GLU 26 N 1.03 0.86 -0.01 4.80 4.39 -1.04 -0.02 114.58 124.58 1j41 h GLU 26 Ca 0.24 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1j41 h GLU 26 Cb 0.20 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1j41 h GLU 26 CO -0.02 0.92 -0.00 0.00 -1.16 0.00 0.00 179.01 178.74 1j41 h ALA 27 N 0.91 0.02 -0.53 3.43 0.00 -0.97 0.45 119.26 122.57 1j41 h ALA 27 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1j41 h ALA 27 Cb 0.54 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1j41 h ALA 27 CO 0.03 -0.29 0.13 1.25 0.00 0.00 0.00 179.25 180.37 1j41 h LEU 28 N -0.36 0.81 -0.17 0.00 5.85 -1.42 -1.37 115.31 118.64 1j41 h LEU 28 Ca 0.00 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1j41 h LEU 28 Cb 0.39 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1j41 h LEU 28 CO 0.00 0.83 0.03 1.23 -0.34 0.00 0.00 178.44 180.19 1j41 h GLY 29 N 0.75 0.19 1.58 3.75 0.00 -0.97 -2.34 103.07 106.02 1j41 h GLY 29 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1j41 h GLY 29 CO 0.00 -0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.75 1j41 h ARG 30 N 0.10 0.53 -0.35 4.80 3.08 -0.81 -0.51 114.38 121.22 1j41 h ARG 30 Ca 0.08 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.08 1j41 h ARG 30 Cb 0.07 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1j41 h ARG 30 CO -0.10 0.55 -0.01 1.25 -1.07 0.00 0.00 179.97 180.59 1j41 h LEU 31 N 0.51 -0.17 -1.04 3.04 5.85 -0.87 0.18 115.31 122.81 1j41 h LEU 31 Ca 0.11 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1j41 h LEU 31 Cb 0.33 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1j41 h LEU 31 CO 0.01 -0.05 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.68 1j41 h LEU 32 N 0.08 0.00 0.05 2.25 3.38 -0.83 -1.04 115.31 119.20 1j41 h LEU 32 Ca 0.17 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 1j41 h LEU 32 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1j41 h LEU 32 CO -0.30 0.31 -1.01 0.58 0.09 0.00 0.00 178.44 178.11 1j41 h VAL 33 N 0.00 1.19 -0.08 1.22 2.07 -0.76 -3.28 116.25 116.61 1j41 h VAL 33 Ca -0.00 -2.32 -0.18 0.00 0.82 0.00 0.00 66.70 65.02 1j41 h VAL 33 Cb 0.82 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1j41 h VAL 33 CO 0.04 0.55 -0.72 0.58 0.02 0.00 0.00 177.57 178.05 1j41 h VAL 34 N -0.69 1.38 -2.26 2.57 2.07 -0.69 -3.35 116.25 115.27 1j41 h VAL 34 Ca -0.24 -2.13 -0.59 0.00 0.82 0.00 0.00 66.70 64.55 1j41 h VAL 34 Cb 1.43 2.10 -0.41 0.00 -1.52 0.00 0.00 31.29 32.89 1j41 h VAL 34 CO -0.04 0.64 -0.72 -1.22 0.02 0.00 0.00 177.57 176.25 1j41 n TYR 35 N -3.84 2.48 0.32 1.57 4.01 -0.40 -4.98 117.16 116.33 1j41 n TYR 35 Ca -0.04 -4.00 0.21 0.00 -0.16 0.00 0.00 57.90 53.91 1j41 n TYR 35 Cb 0.70 -0.48 1.06 0.00 -0.31 0.00 0.00 39.34 40.31 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 4.35 0.00 0.00 -0.72 0.13 -1.70 -0.89 132.00 133.16 1j41 h PRO 36 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1j41 h PRO 36 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1j41 h PRO 36 CO 0.72 0.00 -0.02 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 -1.83 115.95 113.86 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 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.40 1j41 h TRP 37 CO 0.00 0.02 0.00 0.25 0.09 0.00 0.00 178.44 178.80 1j41 n THR 38 N -3.57 0.98 0.27 0.12 -2.24 -0.34 -2.14 114.28 107.35 1j41 n THR 38 Ca -0.03 0.29 0.16 0.00 -2.27 0.00 0.00 64.05 62.20 1j41 n THR 38 Cb 0.11 -1.16 0.81 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 -0.51 -0.78 4.20 -1.53 -2.72 115.11 113.78 1j41 h GLN 39 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 1j41 h GLN 39 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1j41 h GLN 39 CO 0.00 0.00 0.36 0.07 -0.67 0.00 0.00 178.83 178.59 1j41 h ARG 40 N 0.00 0.08 -0.00 1.46 0.11 -1.65 -0.46 114.38 113.92 1j41 h ARG 40 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1j41 h ARG 40 Cb 0.11 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1j41 h ARG 40 CO 0.00 0.05 -0.17 1.19 0.10 0.00 0.00 179.97 181.15 1j41 n PHE 41 N -4.41 0.00 -1.73 4.08 3.72 -1.02 -4.19 117.46 113.90 1j41 n PHE 41 Ca 0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.55 1j41 n PHE 41 Cb 0.53 -0.28 0.11 0.00 -0.94 0.00 0.00 39.48 38.90 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 -1.22 0.00 -0.25 1.38 3.72 -0.18 -4.83 117.46 116.08 1j41 n PHE 42 Ca 0.10 -0.88 0.12 0.00 -0.05 0.00 0.00 57.45 56.75 1j41 n PHE 42 Cb 0.31 -0.17 0.39 0.00 -0.94 0.00 0.00 39.48 39.07 1j41 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j41 h GLU 43 N 0.55 0.65 0.00 -1.08 5.08 -1.71 -0.05 114.58 118.02 1j41 h GLU 43 Ca -0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1j41 h GLU 43 Cb 1.27 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1j41 h GLU 43 CO 0.02 0.43 0.00 -1.13 -1.00 0.00 0.00 179.01 177.33 1j41 n SER 44 N -4.54 0.08 0.00 1.42 3.41 -1.26 -2.27 113.62 110.46 1j41 n SER 44 Ca 0.16 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 1j41 n SER 44 Cb 0.45 -0.54 0.69 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.59 0.00 0.00 7.33 3.01 -0.03 -4.99 117.46 121.19 1j41 n PHE 45 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1j41 n PHE 45 Cb 0.10 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 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 1.21 1.07 3.62 1.37 0.00 -0.96 -4.74 105.19 106.76 1j41 n GLY 46 Ca 0.12 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 6.68 -0.12 1.61 2.15 -1.26 -4.84 116.67 116.89 1j41 s ASP 47 Ca 0.00 0.78 0.15 0.00 0.43 0.00 0.00 52.55 53.91 1j41 s ASP 47 Cb 0.00 -2.55 0.36 0.00 -0.30 0.00 0.00 42.92 40.43 1j41 s ASP 47 CO 0.00 -1.15 1.17 0.18 -0.17 0.00 0.00 175.17 175.20 1j41 n LEU 48 N 7.67 1.88 0.21 -1.34 4.77 -1.26 -4.22 117.00 124.71 1j41 n LEU 48 Ca 0.13 -2.93 0.10 0.00 -0.03 0.00 0.00 56.01 53.28 1j41 n LEU 48 Cb 0.48 -0.31 0.30 0.00 -2.33 0.00 0.00 43.42 41.57 1j41 n LEU 48 CO 0.67 0.92 0.76 0.77 -1.33 0.00 0.00 177.39 179.18 1j41 h SER 49 N 0.74 0.00 -5.29 -1.43 4.64 -1.91 -3.44 113.55 106.86 1j41 h SER 49 Ca -0.07 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.11 1j41 h SER 49 Cb 1.30 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 1j41 h SER 49 CO 0.03 0.18 -0.67 0.42 -0.87 0.00 0.00 176.83 175.91 1j41 s THR 50 N -3.35 0.19 0.20 2.95 -4.23 -1.26 -5.03 115.64 105.12 1j41 s THR 50 Ca 0.04 -1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 58.60 1j41 s THR 50 Cb 0.08 -1.68 0.13 0.00 1.34 0.00 0.00 72.50 72.37 1j41 s THR 50 CO 0.66 -0.83 1.76 -0.65 -0.54 0.00 0.00 174.62 175.01 1j41 h PRO 51 N 3.06 0.44 -0.95 3.99 0.11 -1.98 -0.64 132.00 136.02 1j41 h PRO 51 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1j41 h PRO 51 Cb 1.16 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1j41 h PRO 51 CO 0.64 0.29 0.62 -0.44 -0.21 0.00 0.00 178.00 178.89 1j41 h ASP 52 N 0.45 1.11 -0.55 -2.05 3.32 -1.99 -0.39 116.42 116.33 1j41 h ASP 52 Ca 0.29 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 1j41 h ASP 52 Cb 0.32 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1j41 h ASP 52 CO -0.27 0.82 0.21 0.00 -1.72 0.00 0.00 179.24 178.29 1j41 h ALA 53 N 1.34 0.72 0.11 3.45 0.00 -1.75 -1.54 119.26 121.60 1j41 h ALA 53 Ca 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1j41 h ALA 53 Cb -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1j41 h ALA 53 CO -0.07 0.34 -0.06 0.28 0.00 0.00 0.00 179.25 179.74 1j41 h VAL 54 N 0.75 0.96 -0.25 0.00 2.07 -0.65 -2.08 116.25 117.06 1j41 h VAL 54 Ca 0.18 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1j41 h VAL 54 Cb 0.21 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1j41 h VAL 54 CO -0.01 0.07 -0.09 0.24 0.02 0.00 0.00 177.57 177.79 1j41 h MET 55 N -0.29 0.39 -0.01 1.57 2.07 -0.98 -2.67 114.93 115.02 1j41 h MET 55 Ca -0.02 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.52 1j41 h MET 55 Cb 0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.91 1j41 h MET 55 CO 0.03 0.50 -0.24 0.41 1.07 0.00 0.00 176.91 178.68 1j41 n GLY 56 N -0.80 -0.46 3.65 8.32 0.00 -0.59 -4.79 105.19 110.51 1j41 n GLY 56 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.43 6.47 0.43 1.61 3.84 -0.78 -4.88 114.94 119.19 1j41 s ASN 57 Ca 0.26 2.06 0.13 0.00 0.21 0.00 0.00 52.86 55.52 1j41 s ASN 57 Cb 0.19 -2.53 1.02 0.00 -0.55 0.00 0.00 41.25 39.38 1j41 s ASN 57 CO 0.50 -1.12 1.98 -0.65 -2.79 0.00 0.00 177.10 175.02 1j41 h PRO 58 N 10.42 0.41 -0.05 0.43 0.11 -1.90 -1.38 132.00 140.04 1j41 h PRO 58 Ca -0.39 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.49 1j41 h PRO 58 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1j41 h PRO 58 CO 0.97 0.27 -0.83 0.87 -0.21 0.00 0.00 178.00 179.07 1j41 h LYS 59 N 0.42 0.45 -0.25 1.05 1.57 -1.90 -0.32 116.57 117.59 1j41 h LYS 59 Ca 0.27 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1j41 h LYS 59 Cb 0.51 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1j41 h LYS 59 CO -0.08 1.06 0.11 0.28 -0.57 0.00 0.00 179.45 180.26 1j41 h VAL 60 N 0.29 1.16 -0.22 0.50 2.07 -1.68 -0.23 116.25 118.14 1j41 h VAL 60 Ca -0.05 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1j41 h VAL 60 Cb 1.43 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1j41 h VAL 60 CO 0.15 0.16 0.10 0.11 0.02 0.00 0.00 177.57 178.10 1j41 h LYS 61 N 0.26 0.32 -0.64 1.57 1.57 -1.19 0.26 116.57 118.73 1j41 h LYS 61 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1j41 h LYS 61 Cb 0.15 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1j41 h LYS 61 CO -0.01 0.35 0.35 0.00 -0.57 0.00 0.00 179.45 179.57 1j41 h ALA 62 N 0.95 0.81 -0.39 3.86 0.00 -1.01 -2.24 119.26 121.25 1j41 h ALA 62 Ca 0.07 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1j41 h ALA 62 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1j41 h ALA 62 CO -0.01 0.33 -0.26 1.25 0.00 0.00 0.00 179.25 180.56 1j41 h HIS 63 N 0.86 0.94 -0.97 0.00 -0.00 -0.85 -2.25 115.15 112.89 1j41 h HIS 63 Ca 0.22 -0.23 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1j41 h HIS 63 Cb 0.04 -0.22 -0.06 0.00 -0.00 0.00 0.00 27.41 27.17 1j41 h HIS 63 CO -0.01 0.98 0.63 0.78 -0.00 0.00 0.00 177.93 180.32 1j41 h GLY 64 N 0.94 1.41 1.03 5.26 0.00 -0.77 -0.12 103.07 110.82 1j41 h GLY 64 Ca 0.09 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1j41 h GLY 64 CO 0.07 0.42 0.12 1.70 0.00 0.00 0.00 176.54 178.84 1j41 h LYS 65 N 1.23 0.99 -0.57 4.80 3.64 -1.13 -1.50 116.57 124.02 1j41 h LYS 65 Ca 0.38 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1j41 h LYS 65 Cb -0.01 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1j41 h LYS 65 CO -0.12 0.92 0.34 -0.22 -2.27 0.00 0.00 179.45 178.10 1j41 h LYS 66 N 0.90 0.79 -0.49 1.90 3.64 -0.79 -0.91 116.57 121.61 1j41 h LYS 66 Ca 0.19 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1j41 h LYS 66 Cb 0.40 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1j41 h LYS 66 CO 0.01 0.57 0.32 0.28 -2.27 0.00 0.00 179.45 178.36 1j41 h VAL 67 N 0.78 1.12 0.00 2.00 2.07 -0.85 -1.59 116.25 119.78 1j41 h VAL 67 Ca 0.21 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1j41 h VAL 67 Cb -0.00 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1j41 h VAL 67 CO -0.04 0.12 -0.27 -0.07 0.02 0.00 0.00 177.57 177.33 1j41 h LEU 68 N 0.66 0.00 -0.56 2.57 3.38 -0.97 -1.35 115.31 119.03 1j41 h LEU 68 Ca 0.18 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1j41 h LEU 68 Cb -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1j41 h LEU 68 CO -0.04 0.27 0.34 1.23 0.09 0.00 0.00 178.44 180.33 1j41 h GLY 69 N 0.84 0.80 1.09 0.83 0.00 -0.20 0.15 103.07 106.59 1j41 h GLY 69 Ca -0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 1j41 h GLY 69 CO 0.03 0.22 -0.04 0.00 0.00 0.00 0.00 176.54 176.76 1j41 h ALA 70 N 1.24 0.80 -0.56 3.60 0.00 -0.88 -2.29 119.26 121.18 1j41 h ALA 70 Ca 0.22 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1j41 h ALA 70 Cb 0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 1j41 h ALA 70 CO -0.09 0.67 0.24 0.35 0.00 0.00 0.00 179.25 180.42 1j41 h PHE 71 N 0.97 0.42 -0.90 0.00 3.04 -0.70 -1.77 116.94 118.00 1j41 h PHE 71 Ca 0.16 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.21 1j41 h PHE 71 Cb 0.61 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.95 1j41 h PHE 71 CO 0.04 0.15 0.58 0.77 -2.02 0.00 0.00 178.31 177.84 1j41 h SER 72 N 0.44 0.88 -0.83 0.41 0.02 -0.39 -0.75 113.55 113.33 1j41 h SER 72 Ca 0.27 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1j41 h SER 72 Cb 0.27 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1j41 h SER 72 CO -0.24 0.55 0.45 0.44 -1.14 0.00 0.00 176.83 176.88 1j41 h ASP 73 N 0.99 1.05 -0.47 3.07 3.32 -0.78 -1.89 116.42 121.70 1j41 h ASP 73 Ca 0.39 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1j41 h ASP 73 Cb 0.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1j41 h ASP 73 CO -0.15 0.85 0.28 1.23 -1.72 0.00 0.00 179.24 179.73 1j41 h GLY 74 N 1.16 0.68 2.00 2.75 0.00 -0.50 -2.37 103.07 106.79 1j41 h GLY 74 Ca 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1j41 h GLY 74 CO -0.05 0.28 -0.10 1.41 0.00 0.00 0.00 176.54 178.08 1j41 h LEU 75 N 0.62 0.00 -0.37 3.11 3.38 -0.86 -1.20 115.31 119.99 1j41 h LEU 75 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j41 h LEU 75 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1j41 h LEU 75 CO -0.03 0.10 -0.18 0.00 0.09 0.00 0.00 178.44 178.42 1j41 n ALA 76 N -2.23 2.91 -2.90 1.53 0.00 -0.74 -4.26 120.51 114.82 1j41 n ALA 76 Ca -0.01 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 1j41 n ALA 76 Cb 0.25 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.49 1j41 n ALA 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1j41 n HIS 77 N -0.80 -0.31 0.28 0.00 -0.00 -0.48 -4.99 115.22 108.93 1j41 n HIS 77 Ca 0.13 -3.02 0.16 0.00 -0.00 0.00 0.00 57.72 54.99 1j41 n HIS 77 Cb 0.31 0.15 0.84 0.00 -0.00 0.00 0.00 29.99 31.29 1j41 n HIS 77 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1j41 h LEU 78 N 2.89 0.00 -0.04 0.27 -0.00 -1.68 -1.62 115.31 115.13 1j41 h LEU 78 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1j41 h LEU 78 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 1j41 h LEU 78 CO 0.38 0.07 -0.18 0.47 -0.00 0.00 0.00 178.44 179.17 1j41 n ASP 79 N -3.49 0.25 -3.17 -0.43 8.00 -1.26 -3.68 116.55 112.77 1j41 n ASP 79 Ca -0.02 0.04 -0.19 0.00 0.71 0.00 0.00 54.79 55.34 1j41 n ASP 79 Cb 0.20 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 1j41 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j41 n ASN 80 N -1.40 0.55 -0.16 -2.24 5.15 -0.61 -4.81 115.26 111.74 1j41 n ASN 80 Ca 0.08 -2.96 -0.05 0.00 -0.60 0.00 0.00 54.58 51.06 1j41 n ASN 80 Cb 0.32 -0.53 0.14 0.00 -0.53 0.00 0.00 39.78 39.18 1j41 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1j41 h LEU 81 N 3.25 0.86 -0.59 1.20 3.38 -1.73 -0.82 115.31 120.86 1j41 h LEU 81 Ca 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1j41 h LEU 81 Cb 0.95 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1j41 h LEU 81 CO 0.48 0.86 0.29 0.11 0.09 0.00 0.00 178.44 180.27 1j41 h LYS 82 N 0.87 0.84 -0.34 1.13 1.57 -1.89 -0.91 116.57 117.84 1j41 h LYS 82 Ca 0.18 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1j41 h LYS 82 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1j41 h LYS 82 CO 0.00 0.68 -0.20 0.78 -0.57 0.00 0.00 179.45 180.14 1j41 h GLY 83 N 0.80 0.81 0.69 3.86 0.00 -1.91 -2.19 103.07 105.14 1j41 h GLY 83 Ca 0.20 -0.75 0.06 0.00 0.00 0.00 0.00 47.33 46.84 1j41 h GLY 83 CO -0.03 0.68 0.42 -0.84 0.00 0.00 0.00 176.54 176.78 1j41 h THR 84 N 0.52 0.99 -0.73 4.70 2.02 -0.82 -2.93 112.91 116.66 1j41 h THR 84 Ca 0.07 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1j41 h THR 84 Cb 0.75 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1j41 h THR 84 CO 0.06 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.58 1j41 n PHE 85 N -4.74 0.97 0.04 3.16 3.72 -0.37 -4.63 117.46 115.61 1j41 n PHE 85 Ca 0.10 -0.50 -0.11 0.00 -0.05 0.00 0.00 57.45 56.89 1j41 n PHE 85 Cb 0.18 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.67 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 4.27 -0.11 -0.51 4.37 0.00 -1.20 0.27 119.26 126.36 1j41 h ALA 86 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1j41 h ALA 86 Cb 0.99 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1j41 h ALA 86 CO 0.00 -0.60 0.32 1.15 0.00 0.00 0.00 179.25 180.12 1j41 h THR 87 N -0.19 1.09 -0.17 0.00 2.02 -1.82 -1.51 112.91 112.33 1j41 h THR 87 Ca 0.06 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 1j41 h THR 87 Cb 0.26 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1j41 h THR 87 CO -0.15 0.12 -0.33 -0.07 0.37 0.00 0.00 175.52 175.46 1j41 h LEU 88 N 0.64 0.35 -0.03 2.58 3.38 -1.76 -1.42 115.31 119.05 1j41 h LEU 88 Ca 0.20 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1j41 h LEU 88 Cb -0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1j41 h LEU 88 CO -0.07 0.67 0.01 -1.28 0.09 0.00 0.00 178.44 177.86 1j41 h SER 89 N 0.30 0.04 -0.88 -0.43 0.87 -0.10 -0.11 113.55 113.23 1j41 h SER 89 Ca 0.04 -0.14 0.08 0.00 -1.23 0.00 0.00 61.79 60.54 1j41 h SER 89 Cb 0.73 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.61 1j41 h SER 89 CO 0.06 0.17 0.54 -0.33 -0.53 0.00 0.00 176.83 176.73 1j41 h GLU 90 N -0.09 0.91 -0.12 2.24 5.08 -1.05 -1.27 114.58 120.28 1j41 h GLU 90 Ca 0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1j41 h GLU 90 Cb 0.14 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1j41 h GLU 90 CO -0.00 0.60 0.06 1.25 -1.00 0.00 0.00 179.01 179.91 1j41 h LEU 91 N 0.93 0.15 -1.24 1.33 5.85 -1.00 0.13 115.31 121.46 1j41 h LEU 91 Ca 0.41 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1j41 h LEU 91 Cb 0.29 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1j41 h LEU 91 CO -0.21 0.23 -0.16 0.45 -0.34 0.00 0.00 178.44 178.41 1j41 h HIS 92 N 0.06 0.35 0.13 1.25 3.86 -0.58 -1.23 115.15 118.98 1j41 h HIS 92 Ca 0.04 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1j41 h HIS 92 Cb 0.12 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1j41 h HIS 92 CO -0.03 0.48 -0.06 0.00 0.86 0.00 0.00 177.93 179.17 1j41 h ASP 94 N -0.88 0.94 0.01 0.00 3.32 -0.74 -2.87 116.42 116.19 1j41 h ASP 94 Ca -0.02 -0.63 -0.40 0.00 0.02 0.00 0.00 57.03 56.00 1j41 h ASP 94 Cb 0.14 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 1j41 h ASP 94 CO 0.03 1.42 -2.42 0.29 -1.72 0.00 0.00 179.24 176.84 1j41 n LYS 95 N -3.95 0.65 0.04 3.56 4.76 -0.57 -4.67 118.16 117.99 1j41 n LYS 95 Ca -0.08 0.19 0.11 0.00 -2.87 0.00 0.00 58.31 55.66 1j41 n LYS 95 Cb 0.75 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 32.33 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 -3.46 0.45 -3.80 -0.35 4.77 -0.60 -4.99 117.00 109.02 1j41 n LEU 96 Ca -0.46 0.13 -0.26 0.00 -0.03 0.00 0.00 56.01 55.39 1j41 n LEU 96 Cb 0.97 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 42.06 1j41 n LEU 96 CO 0.24 -0.07 0.06 1.41 -1.33 0.00 0.00 177.39 177.70 1j41 n HIS 97 N -2.39 -2.22 -3.34 -1.77 8.25 -0.31 -4.95 115.22 108.49 1j41 n HIS 97 Ca -0.01 0.90 -0.39 0.00 -0.26 0.00 0.00 57.72 57.95 1j41 n HIS 97 Cb 0.54 -4.26 -0.09 0.00 1.12 0.00 0.00 29.99 27.30 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 -3.44 5.14 0.03 1.59 1.01 -0.60 -5.03 120.40 119.10 1j41 s VAL 98 Ca 0.41 0.62 -0.32 0.00 0.00 0.00 0.00 61.98 62.69 1j41 s VAL 98 Cb -0.20 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 1j41 s VAL 98 CO 0.81 0.11 1.90 -0.67 0.00 0.00 0.00 175.10 177.25 1j41 n ASP 99 N 5.41 3.88 0.23 3.32 -0.08 -1.26 -4.74 116.55 123.30 1j41 n ASP 99 Ca -0.07 0.95 0.15 0.00 -1.51 0.00 0.00 54.79 54.31 1j41 n ASP 99 Cb 0.50 -1.48 0.78 0.00 2.34 0.00 0.00 41.12 43.27 1j41 n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j41 h PRO 100 N 9.48 0.00 -0.28 -0.67 0.11 -1.96 -1.50 132.00 137.18 1j41 h PRO 100 Ca -0.48 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.71 1j41 h PRO 100 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1j41 h PRO 100 CO 0.94 0.00 0.22 1.49 -0.21 0.00 0.00 178.00 180.44 1j41 h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.98 0.64 114.58 118.86 1j41 h GLU 101 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1j41 h GLU 101 Cb 0.07 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1j41 h GLU 101 CO 0.00 0.00 -0.08 -0.91 -1.18 0.00 0.00 179.01 176.84 1j41 h ASN 102 N 0.00 0.00 0.05 1.04 4.21 -1.65 -2.33 115.58 116.90 1j41 h ASN 102 Ca 0.13 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.55 1j41 h ASN 102 Cb 0.56 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 1j41 h ASN 102 CO -0.00 0.08 -0.30 -0.26 -1.29 0.00 0.00 177.43 175.67 1j41 h PHE 103 N 0.00 0.43 -0.55 1.19 0.04 -1.06 -1.25 116.94 115.74 1j41 h PHE 103 Ca -0.00 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 1j41 h PHE 103 Cb 0.19 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1j41 h PHE 103 CO 0.00 0.64 -0.02 0.00 -0.60 0.00 0.00 178.31 178.33 1j41 h ARG 104 N 0.33 0.98 -0.40 1.51 -0.00 -1.51 -1.26 114.38 114.04 1j41 h ARG 104 Ca 0.05 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.98 59.20 1j41 h ARG 104 Cb 0.69 -0.08 -0.02 0.00 0.00 0.00 0.00 29.97 30.56 1j41 h ARG 104 CO 0.05 0.99 0.23 -0.07 0.00 0.00 0.00 179.97 181.17 1j41 h LEU 105 N 0.86 0.49 -0.66 3.04 3.38 -1.30 -1.68 115.31 119.44 1j41 h LEU 105 Ca 0.15 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1j41 h LEU 105 Cb 0.56 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1j41 h LEU 105 CO 0.03 0.42 0.10 0.25 0.09 0.00 0.00 178.44 179.33 1j41 h LEU 106 N 0.51 1.05 -0.70 1.67 5.85 -1.15 -1.18 115.31 121.35 1j41 h LEU 106 Ca 0.14 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1j41 h LEU 106 Cb 0.03 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1j41 h LEU 106 CO -0.02 1.04 0.41 1.23 -0.34 0.00 0.00 178.44 180.76 1j41 h GLY 107 N 1.01 1.03 2.00 3.75 0.00 -0.94 0.93 103.07 110.85 1j41 h GLY 107 Ca 0.20 -0.30 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 1j41 h GLY 107 CO 0.01 0.20 -0.80 3.43 0.00 0.00 0.00 176.54 179.38 1j41 h ASN 108 N 0.77 0.00 -0.57 0.19 2.35 -0.98 -1.79 115.58 115.55 1j41 h ASN 108 Ca 0.30 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1j41 h ASN 108 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1j41 h ASN 108 CO -0.16 0.80 0.10 0.58 -1.65 0.00 0.00 177.43 177.10 1j41 h VAL 109 N 0.00 1.25 -0.63 2.81 2.07 -0.81 -1.67 116.25 119.28 1j41 h VAL 109 Ca -0.01 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.61 1j41 h VAL 109 Cb 1.48 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1j41 h VAL 109 CO 0.10 0.35 0.36 0.25 0.02 0.00 0.00 177.57 178.65 1j41 h LEU 110 N 0.83 0.54 -0.71 2.57 5.85 -0.63 0.32 115.31 124.08 1j41 h LEU 110 Ca 0.17 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1j41 h LEU 110 Cb 0.40 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1j41 h LEU 110 CO 0.01 0.36 0.46 0.58 -0.34 0.00 0.00 178.44 179.51 1j41 h VAL 111 N 0.67 1.15 -0.85 1.05 2.07 -1.09 0.38 116.25 119.63 1j41 h VAL 111 Ca 0.27 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1j41 h VAL 111 Cb 0.13 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1j41 h VAL 111 CO -0.16 0.17 0.48 0.00 0.02 0.00 0.00 177.57 178.08 1j41 h VAL 113 N 1.19 1.26 -0.62 0.00 2.07 -0.31 0.37 116.25 120.21 1j41 h VAL 113 Ca 0.30 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1j41 h VAL 113 Cb 0.01 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1j41 h VAL 113 CO -0.05 0.38 0.33 -0.07 0.02 0.00 0.00 177.57 178.17 1j41 h LEU 114 N 0.90 0.78 -0.74 2.57 3.38 -0.61 -1.05 115.31 120.55 1j41 h LEU 114 Ca 0.18 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1j41 h LEU 114 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1j41 h LEU 114 CO 0.01 0.66 0.33 0.00 0.09 0.00 0.00 178.44 179.54 1j41 h ALA 115 N 1.15 0.96 -0.56 1.53 0.00 -0.89 -0.28 119.26 121.18 1j41 h ALA 115 Ca 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1j41 h ALA 115 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1j41 h ALA 115 CO -0.03 0.55 0.10 1.25 0.00 0.00 0.00 179.25 181.12 1j41 h HIS 116 N 1.06 0.97 0.03 0.00 -0.00 -0.54 0.90 115.15 117.56 1j41 h HIS 116 Ca 0.25 -0.13 -0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1j41 h HIS 116 Cb 0.16 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1j41 h HIS 116 CO 0.01 0.85 -0.01 1.25 -0.00 0.00 0.00 177.93 180.03 1j41 h HIS 117 N 0.81 -0.04 0.00 5.26 6.17 -1.04 -3.34 115.15 122.97 1j41 h HIS 117 Ca 0.17 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.25 1j41 h HIS 117 Cb 0.40 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.34 1j41 h HIS 117 CO 0.03 0.53 -0.25 0.74 0.71 0.00 0.00 177.93 179.69 1j41 h PHE 118 N -0.64 0.00 0.00 5.26 0.04 -1.00 -3.49 116.94 117.11 1j41 h PHE 118 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1j41 h PHE 118 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1j41 h PHE 118 CO 0.13 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.25 1j41 n GLY 119 N 1.27 3.08 0.34 -1.45 0.00 0.30 -1.86 105.19 106.88 1j41 n GLY 119 Ca 0.04 -0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.12 1j41 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j41 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.94 -0.22 116.57 119.66 1j41 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1j41 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1j41 h LYS 120 CO 0.00 0.00 -0.14 1.49 -2.27 0.00 0.00 179.45 178.53 1j41 h GLU 121 N 0.00 0.00 -4.32 1.90 4.81 -1.76 -3.29 114.58 111.92 1j41 h GLU 121 Ca 0.08 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.59 1j41 h GLU 121 Cb 0.52 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.80 1j41 h GLU 121 CO -0.00 0.14 2.41 0.34 -0.73 0.00 0.00 179.01 181.17 1j41 n PHE 122 N -3.89 3.78 -1.26 0.92 7.35 -0.10 -4.95 117.46 119.31 1j41 n PHE 122 Ca -0.02 -2.95 -0.30 0.00 -0.76 0.00 0.00 57.45 53.42 1j41 n PHE 122 Cb 0.23 -2.36 0.11 0.00 0.35 0.00 0.00 39.48 37.82 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 2.40 2.98 0.22 -2.13 -4.23 -1.24 -4.66 115.64 108.96 1j41 s THR 123 Ca 0.46 0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1j41 s THR 123 Cb 0.09 -2.83 0.17 0.00 1.34 0.00 0.00 72.50 71.27 1j41 s THR 123 CO -0.02 -0.42 1.72 -0.65 -0.54 0.00 0.00 174.62 174.72 1j41 h PRO 124 N -1.33 0.33 -0.68 3.99 0.11 -1.93 0.95 132.00 133.43 1j41 h PRO 124 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1j41 h PRO 124 Cb 1.26 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1j41 h PRO 124 CO 0.54 0.22 0.39 -1.35 -0.21 0.00 0.00 178.00 177.59 1j41 h PRO 125 N 0.34 0.93 -0.41 1.05 0.11 -1.99 -0.58 132.00 131.45 1j41 h PRO 125 Ca 0.34 -0.09 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 1j41 h PRO 125 Cb 0.48 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1j41 h PRO 125 CO -0.38 0.67 -0.09 0.28 -0.21 0.00 0.00 178.00 178.27 1j41 h VAL 126 N 0.94 1.27 -0.54 3.15 2.07 -1.64 -2.12 116.25 119.38 1j41 h VAL 126 Ca 0.24 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1j41 h VAL 126 Cb -0.01 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1j41 h VAL 126 CO -0.04 0.40 0.33 -0.61 0.02 0.00 0.00 177.57 177.66 1j41 h GLN 127 N 0.61 0.63 -0.90 1.57 4.15 -0.60 -1.13 115.11 119.44 1j41 h GLN 127 Ca 0.11 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1j41 h GLN 127 Cb 0.62 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.12 1j41 h GLN 127 CO 0.04 0.41 0.59 0.00 -1.93 0.00 0.00 178.83 177.94 1j41 h ALA 128 N 1.24 1.17 -0.43 3.38 0.00 -0.79 0.19 119.26 124.02 1j41 h ALA 128 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1j41 h ALA 128 Cb 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1j41 h ALA 128 CO -0.10 0.49 0.13 0.00 0.00 0.00 0.00 179.25 179.77 1j41 h ALA 129 N 1.35 0.57 -0.04 0.00 0.00 -1.00 -2.48 119.26 117.66 1j41 h ALA 129 Ca 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1j41 h ALA 129 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1j41 h ALA 129 CO -0.10 0.22 -0.18 1.88 0.00 0.00 0.00 179.25 181.07 1j41 h TYR 130 N 0.56 0.07 -0.66 0.00 0.05 -0.47 -1.80 116.97 114.71 1j41 h TYR 130 Ca 0.14 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.83 1j41 h TYR 130 Cb 0.27 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 1j41 h TYR 130 CO 0.01 0.25 0.07 1.96 -1.05 0.00 0.00 178.16 179.40 1j41 h GLN 131 N 0.06 1.11 -0.59 4.88 1.08 -0.34 -0.07 115.11 121.24 1j41 h GLN 131 Ca 0.01 -0.32 0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1j41 h GLN 131 Cb 0.36 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 1j41 h GLN 131 CO 0.02 1.03 0.39 0.87 -0.95 0.00 0.00 178.83 180.20 1j41 h LYS 132 N 1.03 0.78 0.26 1.46 1.57 -0.99 -1.53 116.57 119.15 1j41 h LYS 132 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1j41 h LYS 132 Cb 0.49 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1j41 h LYS 132 CO 0.02 0.52 -0.12 0.28 -0.57 0.00 0.00 179.45 179.57 1j41 h VAL 133 N 0.80 0.75 -0.22 0.50 2.07 -0.86 0.32 116.25 119.61 1j41 h VAL 133 Ca 0.22 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.64 1j41 h VAL 133 Cb -0.09 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1j41 h VAL 133 CO -0.05 0.00 -0.28 -0.37 0.02 0.00 0.00 177.57 176.90 1j41 h VAL 134 N -0.35 1.27 -0.45 2.57 -1.51 -0.96 0.57 116.25 117.40 1j41 h VAL 134 Ca -0.04 -1.29 -0.03 0.00 -1.23 0.00 0.00 66.70 64.12 1j41 h VAL 134 Cb 0.27 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 1j41 h VAL 134 CO 0.06 0.40 0.15 0.00 -1.23 0.00 0.00 177.57 176.95 1j41 h ALA 135 N 1.34 0.59 -0.69 5.19 0.00 -1.20 -0.82 119.26 123.66 1j41 h ALA 135 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1j41 h ALA 135 Cb 0.68 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1j41 h ALA 135 CO 0.05 0.22 0.31 0.78 0.00 0.00 0.00 179.25 180.61 1j41 h GLY 136 N 0.58 1.08 0.92 0.00 0.00 -0.15 -0.64 103.07 104.87 1j41 h GLY 136 Ca 0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1j41 h GLY 136 CO -0.01 0.53 0.08 -2.08 0.00 0.00 0.00 176.54 175.06 1j41 h VAL 137 N 0.97 1.23 -0.41 4.60 2.07 -0.83 -0.29 116.25 123.60 1j41 h VAL 137 Ca 0.24 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1j41 h VAL 137 Cb 0.15 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1j41 h VAL 137 CO -0.03 0.27 0.17 0.00 0.02 0.00 0.00 177.57 178.00 1j41 h ALA 138 N 0.92 0.53 -0.77 1.67 0.00 -0.95 0.48 119.26 121.14 1j41 h ALA 138 Ca 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1j41 h ALA 138 Cb 0.32 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1j41 h ALA 138 CO 0.00 0.13 0.28 -0.97 0.00 0.00 0.00 179.25 178.69 1j41 h ASN 139 N 0.51 1.09 -0.44 0.00 -0.73 -1.05 -1.17 115.58 113.79 1j41 h ASN 139 Ca 0.14 -0.19 -0.12 0.00 1.87 0.00 0.00 56.30 58.00 1j41 h ASN 139 Cb 0.18 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 1j41 h ASN 139 CO -0.01 0.99 -0.19 0.00 -0.37 0.00 0.00 177.43 177.85 1j41 h ALA 140 N 1.15 0.62 0.00 1.57 0.00 -0.69 -2.44 119.26 119.47 1j41 h ALA 140 Ca 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1j41 h ALA 140 Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j41 h ALA 140 CO -0.01 0.58 -0.12 -0.07 0.00 0.00 0.00 179.25 179.63 1j41 h LEU 141 N 0.75 0.00 0.00 0.00 3.38 -0.67 -2.28 115.31 116.49 1j41 h LEU 141 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1j41 h LEU 141 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1j41 h LEU 141 CO 0.06 0.12 -0.34 0.00 0.09 0.00 0.00 178.44 178.37 1j41 n ALA 142 N -2.22 2.84 0.16 1.53 0.00 -0.46 -4.37 120.51 117.99 1j41 n ALA 142 Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.23 1j41 n ALA 142 Cb 0.28 -1.28 0.26 0.00 0.00 0.00 0.00 19.45 18.71 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 0.01 -0.59 0.00 6.17 -0.94 -2.65 115.15 117.15 1j41 h HIS 143 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1j41 h HIS 143 Cb 0.63 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.55 1j41 h HIS 143 CO 0.00 0.50 0.00 1.63 0.71 0.00 0.00 177.93 180.77 1j41 n LYS 144 N -3.96 2.75 -2.12 5.26 4.76 -1.26 -4.93 118.16 118.65 1j41 n LYS 144 Ca -0.02 -2.27 -0.36 0.00 -2.87 0.00 0.00 58.31 52.80 1j41 n LYS 144 Cb 0.51 -1.60 0.01 0.00 -1.84 0.00 0.00 35.03 32.12 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 -1.42 2.57 0.00 2.13 1.51 -1.00 -4.69 117.35 116.45 1j41 s TYR 145 Ca 0.42 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.99 1j41 s TYR 145 Cb 0.24 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 1j41 s TYR 145 CO 0.25 -1.92 0.00 -2.39 -1.11 0.00 0.00 175.55 170.38