#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n48 s HIS 2 N 0.00 3.24 -0.08 1.45 5.65 -1.26 -4.40 115.29 119.88 3n48 s HIS 2 Ca 0.00 0.50 -0.00 0.00 0.25 0.00 0.00 55.06 55.80 3n48 s HIS 2 Cb 0.00 -2.78 -0.03 0.00 -1.18 0.00 0.00 32.58 28.59 3n48 s HIS 2 CO 0.00 -0.36 -0.04 -0.51 -0.65 0.00 0.00 174.74 173.18 3n48 s LEU 3 N 2.34 3.32 0.89 8.88 1.02 -1.26 -5.10 118.68 128.77 3n48 s LEU 3 Ca 0.20 0.02 -0.11 0.00 0.02 0.00 0.00 54.13 54.27 3n48 s LEU 3 Cb -0.15 -1.74 0.13 0.00 0.02 0.00 0.00 46.19 44.44 3n48 s LEU 3 CO 0.11 0.35 1.10 0.42 0.02 0.00 0.00 176.35 178.35 3n48 s THR 4 N -0.72 2.64 0.26 5.49 -4.23 -1.26 -4.77 115.64 113.05 3n48 s THR 4 Ca 0.11 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 3n48 s THR 4 Cb -0.11 -2.52 0.24 0.00 1.34 0.00 0.00 72.50 71.45 3n48 s THR 4 CO 0.02 -0.27 1.78 0.00 -0.54 0.00 0.00 174.62 175.61 3n48 h ALA 5 N -1.62 1.28 -0.21 3.99 0.00 -2.00 -0.28 119.26 120.41 3n48 h ALA 5 Ca -0.47 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3n48 h ALA 5 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3n48 h ALA 5 CO 0.49 -0.01 0.12 1.49 0.00 0.00 0.00 179.25 181.34 3n48 h GLU 6 N 0.70 0.30 -0.68 0.00 4.81 -2.00 -1.83 114.58 115.89 3n48 h GLU 6 Ca 0.45 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 3n48 h GLU 6 Cb 0.56 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3n48 h GLU 6 CO -0.32 0.28 0.34 0.93 -0.73 0.00 0.00 179.01 179.51 3n48 h GLU 7 N 0.24 0.97 -0.73 1.92 5.08 -1.76 -2.04 114.58 118.25 3n48 h GLU 7 Ca 0.08 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3n48 h GLU 7 Cb 0.07 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3n48 h GLU 7 CO -0.01 0.75 0.47 0.87 -1.00 0.00 0.00 179.01 180.09 3n48 h LYS 8 N 0.94 0.91 -0.49 2.33 1.57 -0.90 -1.60 116.57 119.34 3n48 h LYS 8 Ca 0.24 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3n48 h LYS 8 Cb 0.09 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3n48 h LYS 8 CO -0.03 0.60 0.16 1.03 -0.57 0.00 0.00 179.45 180.64 3n48 h SER 9 N 0.94 0.71 -0.80 0.86 0.87 -1.08 -0.28 113.55 114.77 3n48 h SER 9 Ca 0.28 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3n48 h SER 9 Cb -0.04 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 3n48 h SER 9 CO -0.09 0.72 0.49 -0.07 -0.53 0.00 0.00 176.83 177.36 3n48 h LEU 10 N 0.66 0.96 0.20 2.23 3.38 -1.09 0.21 115.31 121.86 3n48 h LEU 10 Ca 0.16 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3n48 h LEU 10 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3n48 h LEU 10 CO -0.01 0.73 -0.10 0.58 0.09 0.00 0.00 178.44 179.74 3n48 h VAL 11 N 1.10 0.88 -0.69 1.22 2.07 -1.13 -3.15 116.25 116.55 3n48 h VAL 11 Ca 0.29 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3n48 h VAL 11 Cb -0.06 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3n48 h VAL 11 CO -0.06 0.12 0.20 0.28 0.02 0.00 0.00 177.57 178.14 3n48 h SER 12 N -0.56 1.01 -0.61 0.57 0.02 -0.92 -1.02 113.55 112.04 3n48 h SER 12 Ca -0.03 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3n48 h SER 12 Cb 0.42 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 3n48 h SER 12 CO 0.05 0.95 0.32 1.23 -1.14 0.00 0.00 176.83 178.23 3n48 h GLY 13 N 1.08 0.88 0.93 -3.77 0.00 -1.03 -2.34 103.07 98.83 3n48 h GLY 13 Ca 0.22 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3n48 h GLY 13 CO -0.01 0.13 -0.68 -2.00 0.00 0.00 0.00 176.54 173.98 3n48 h LEU 14 N 0.60 0.67 -1.47 3.11 5.85 -1.47 -3.34 115.31 119.27 3n48 h LEU 14 Ca 0.28 -0.71 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3n48 h LEU 14 Cb 0.19 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3n48 h LEU 14 CO -0.18 1.29 0.28 -0.25 -0.34 0.00 0.00 178.44 179.23 3n48 h TRP 15 N 0.11 0.61 0.00 1.25 2.91 -1.01 -1.01 115.95 118.82 3n48 h TRP 15 Ca -0.07 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.95 3n48 h TRP 15 Cb 1.35 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 29.80 3n48 h TRP 15 CO 0.12 0.42 -0.02 0.78 -1.03 0.00 0.00 178.44 178.71 3n48 h GLY 16 N 0.70 0.00 0.19 2.65 0.00 -1.54 -2.61 103.07 102.44 3n48 h GLY 16 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3n48 h GLY 16 CO -0.03 0.00 -0.63 0.28 0.00 0.00 0.00 176.54 176.15 3n48 n LYS 17 N -3.17 0.34 -1.96 4.80 5.02 -0.39 -4.96 118.16 117.83 3n48 n LYS 17 Ca -0.01 -0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 3n48 n LYS 17 Cb 0.18 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 3n48 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3n48 s VAL 18 N -2.83 2.64 -0.58 -0.18 1.01 -0.99 -4.94 120.40 114.53 3n48 s VAL 18 Ca 0.13 0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.32 3n48 s VAL 18 Cb 0.17 -3.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 3n48 s VAL 18 CO 0.71 0.05 1.65 0.21 0.00 0.00 0.00 175.10 177.72 3n48 s ASN 19 N 0.90 5.71 0.16 3.32 3.84 -1.26 -4.87 114.94 122.74 3n48 s ASN 19 Ca 0.67 0.33 0.21 0.00 0.21 0.00 0.00 52.86 54.28 3n48 s ASN 19 Cb -0.43 -2.54 0.86 0.00 -0.55 0.00 0.00 41.25 38.59 3n48 s ASN 19 CO 0.35 -2.04 1.65 1.33 -2.79 0.00 0.00 177.10 175.60 3n48 n VAL 20 N 7.03 0.83 0.12 -5.21 0.24 -1.26 -1.89 118.33 118.18 3n48 n VAL 20 Ca 0.16 0.18 0.11 0.00 -2.04 0.00 0.00 64.34 62.76 3n48 n VAL 20 Cb 0.50 -1.03 0.02 0.00 -1.47 0.00 0.00 33.84 31.87 3n48 n VAL 20 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3n48 h ASP 21 N 0.00 0.00 0.00 -1.34 3.32 -1.97 -3.43 116.42 113.00 3n48 h ASP 21 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3n48 h ASP 21 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3n48 h ASP 21 CO 0.00 0.02 -1.16 -0.62 -1.72 0.00 0.00 179.24 175.76 3n48 n GLU 22 N -2.75 0.07 -0.26 3.56 -0.58 -1.03 -4.74 120.64 114.90 3n48 n GLU 22 Ca 0.00 0.02 -0.05 0.00 -0.42 0.00 0.00 57.16 56.71 3n48 n GLU 22 Cb 0.56 -1.05 0.06 0.00 -0.57 0.00 0.00 31.44 30.43 3n48 n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3n48 h VAL 23 N -0.00 1.19 -0.50 2.62 2.07 -1.64 -1.19 116.25 118.79 3n48 h VAL 23 Ca -0.06 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 3n48 h VAL 23 Cb 1.09 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3n48 h VAL 23 CO -0.01 0.19 0.01 1.23 0.02 0.00 0.00 177.57 179.00 3n48 h GLY 24 N 0.98 0.95 1.51 2.17 0.00 -1.82 -0.19 103.07 106.67 3n48 h GLY 24 Ca 0.26 -0.69 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3n48 h GLY 24 CO -0.06 0.64 -0.20 -1.33 0.00 0.00 0.00 176.54 175.59 3n48 h GLY 25 N 0.75 0.62 1.19 4.60 0.00 -1.65 -0.20 103.07 108.38 3n48 h GLY 25 Ca 0.14 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 3n48 h GLY 25 CO 0.02 0.45 -0.36 0.83 0.00 0.00 0.00 176.54 177.48 3n48 h GLU 26 N 0.51 0.89 -0.02 4.80 5.08 -1.05 0.56 114.58 125.36 3n48 h GLU 26 Ca 0.08 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3n48 h GLU 26 Cb 0.63 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3n48 h GLU 26 CO 0.04 1.10 0.01 0.00 -1.00 0.00 0.00 179.01 179.16 3n48 h ALA 27 N 0.85 0.03 -0.62 3.43 0.00 -0.81 -0.78 119.26 121.36 3n48 h ALA 27 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3n48 h ALA 27 Cb 0.94 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3n48 h ALA 27 CO 0.09 -0.37 0.30 1.25 0.00 0.00 0.00 179.25 180.52 3n48 h LEU 28 N -0.16 0.81 -0.43 0.00 5.85 -1.04 -1.08 115.31 119.25 3n48 h LEU 28 Ca 0.01 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3n48 h LEU 28 Cb 0.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3n48 h LEU 28 CO -0.00 0.71 0.27 1.23 -0.34 0.00 0.00 178.44 180.32 3n48 h GLY 29 N 0.85 0.61 1.35 3.75 0.00 -0.83 -1.55 103.07 107.24 3n48 h GLY 29 Ca 0.21 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3n48 h GLY 29 CO -0.03 0.20 -0.09 3.21 0.00 0.00 0.00 176.54 179.83 3n48 h ARG 30 N 0.55 0.78 -0.55 4.80 3.08 -0.96 -2.09 114.38 120.00 3n48 h ARG 30 Ca 0.17 -0.25 0.05 0.00 0.07 0.00 0.00 59.98 60.02 3n48 h ARG 30 Cb -0.03 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 3n48 h ARG 30 CO -0.06 0.84 0.28 1.25 -1.07 0.00 0.00 179.97 181.22 3n48 h LEU 31 N 0.71 0.41 -1.46 3.04 5.85 -0.83 0.20 115.31 123.24 3n48 h LEU 31 Ca 0.12 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3n48 h LEU 31 Cb 0.56 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3n48 h LEU 31 CO 0.03 0.28 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.14 3n48 h LEU 32 N 0.54 0.00 0.01 2.25 3.38 -0.95 -0.93 115.31 119.61 3n48 h LEU 32 Ca 0.24 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 3n48 h LEU 32 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3n48 h LEU 32 CO -0.16 0.20 -1.51 -0.38 0.09 0.00 0.00 178.44 176.68 3n48 n ILE 33 N -3.53 1.56 0.02 1.22 5.41 -0.81 -3.74 119.36 119.49 3n48 n ILE 33 Ca -0.01 -0.14 -0.10 0.00 1.00 0.00 0.00 62.75 63.50 3n48 n ILE 33 Cb 0.35 -1.98 0.04 0.00 -0.71 0.00 0.00 39.64 37.34 3n48 n ILE 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3n48 h VAL 34 N -0.87 1.34 -2.39 1.39 2.07 -0.65 -3.34 116.25 113.79 3n48 h VAL 34 Ca -0.40 -1.92 -0.60 0.00 0.82 0.00 0.00 66.70 64.60 3n48 h VAL 34 Cb 1.43 1.90 -0.41 0.00 -1.52 0.00 0.00 31.29 32.69 3n48 h VAL 34 CO -0.20 0.59 -0.67 -1.22 0.02 0.00 0.00 177.57 176.09 3n48 n TYR 35 N -3.92 2.83 0.29 1.57 4.01 -0.36 -4.99 117.16 116.60 3n48 n TYR 35 Ca -0.04 -4.08 0.16 0.00 -0.16 0.00 0.00 57.90 53.79 3n48 n TYR 35 Cb 0.64 -0.51 0.78 0.00 -0.31 0.00 0.00 39.34 39.95 3n48 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3n48 h PRO 36 N 4.52 0.00 0.00 -0.72 0.13 -1.70 -1.35 132.00 132.89 3n48 h PRO 36 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 3n48 h PRO 36 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3n48 h PRO 36 CO 0.74 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.59 3n48 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -2.18 115.95 113.51 3n48 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3n48 h TRP 37 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.42 3n48 h TRP 37 CO 0.00 0.03 0.00 1.79 0.09 0.00 0.00 178.44 180.35 3n48 h THR 38 N 0.00 0.00 -0.02 0.12 1.35 -1.55 -2.26 112.91 110.55 3n48 h THR 38 Ca -0.00 -0.30 0.01 0.00 -0.55 0.00 0.00 66.41 65.57 3n48 h THR 38 Cb 0.19 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3n48 h THR 38 CO 0.00 0.00 0.02 1.56 -0.25 0.00 0.00 175.52 176.85 3n48 h GLN 39 N 0.00 0.00 -0.90 4.72 4.20 -1.61 -2.86 115.11 118.66 3n48 h GLN 39 Ca 0.00 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.89 3n48 h GLN 39 Cb 0.30 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 3n48 h GLN 39 CO 0.00 0.00 0.59 -0.09 -0.67 0.00 0.00 178.83 178.66 3n48 h ARG 40 N 0.00 0.55 0.00 1.46 2.43 -1.61 -0.78 114.38 116.42 3n48 h ARG 40 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3n48 h ARG 40 Cb 0.05 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3n48 h ARG 40 CO -0.00 0.36 0.00 1.19 -1.51 0.00 0.00 179.97 180.01 3n48 n PHE 41 N -4.56 0.00 -2.25 2.20 3.72 -1.08 -4.10 117.46 111.39 3n48 n PHE 41 Ca 0.19 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.39 3n48 n PHE 41 Cb 0.59 -0.16 0.02 0.00 -0.94 0.00 0.00 39.48 38.99 3n48 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3n48 n PHE 42 N -1.16 2.51 -0.08 1.38 3.72 -0.30 -4.84 117.46 118.69 3n48 n PHE 42 Ca 0.17 -2.34 0.05 0.00 -0.05 0.00 0.00 57.45 55.27 3n48 n PHE 42 Cb 0.17 -0.29 0.39 0.00 -0.94 0.00 0.00 39.48 38.81 3n48 n PHE 42 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3n48 h ASP 43 N 2.34 0.56 0.06 4.37 3.58 -1.71 -2.00 116.42 123.62 3n48 h ASP 43 Ca 0.25 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.69 3n48 h ASP 43 Cb 1.40 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.32 3n48 h ASP 43 CO 0.66 0.39 0.00 -1.54 -2.88 0.00 0.00 179.24 175.87 3n48 n SER 44 N -4.47 0.00 -0.23 2.28 3.41 -1.26 -3.59 113.62 109.76 3n48 n SER 44 Ca 0.06 -0.76 0.13 0.00 -0.26 0.00 0.00 58.87 58.04 3n48 n SER 44 Cb 0.13 -0.04 0.37 0.00 -0.26 0.00 0.00 64.21 64.42 3n48 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3n48 n PHE 45 N -1.04 0.00 -3.91 7.33 3.01 -0.75 -5.06 117.46 117.04 3n48 n PHE 45 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 3n48 n PHE 45 Cb 0.11 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 3n48 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3n48 n GLY 46 N 1.35 -0.54 3.66 1.37 0.00 -1.24 -4.78 105.19 105.02 3n48 n GLY 46 Ca 0.12 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3n48 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n48 s ASP 47 N -4.00 6.48 -0.05 1.61 2.15 -1.26 -4.86 116.67 116.74 3n48 s ASP 47 Ca 0.00 2.62 0.07 0.00 0.43 0.00 0.00 52.55 55.67 3n48 s ASP 47 Cb 0.00 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 40.20 3n48 s ASP 47 CO 0.00 -1.03 1.02 0.18 -0.17 0.00 0.00 175.17 175.17 3n48 n LEU 48 N 7.33 1.00 0.22 -1.34 4.77 -1.26 -4.30 117.00 123.42 3n48 n LEU 48 Ca 0.19 -1.79 0.14 0.00 -0.03 0.00 0.00 56.01 54.53 3n48 n LEU 48 Cb 0.41 -0.16 0.44 0.00 -2.33 0.00 0.00 43.42 41.77 3n48 n LEU 48 CO 0.67 0.42 0.90 0.77 -1.33 0.00 0.00 177.39 178.82 3n48 h SER 49 N 0.00 0.00 -4.52 -1.43 4.64 -1.93 -3.43 113.55 106.88 3n48 h SER 49 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3n48 h SER 49 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 3n48 h SER 49 CO 0.00 0.00 -0.72 0.42 -0.87 0.00 0.00 176.83 175.66 3n48 s THR 50 N -3.39 0.78 0.23 2.95 -4.23 -1.26 -5.03 115.64 105.70 3n48 s THR 50 Ca 0.05 -1.66 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 3n48 s THR 50 Cb 0.08 -1.35 0.20 0.00 1.34 0.00 0.00 72.50 72.77 3n48 s THR 50 CO 0.58 -0.65 1.71 -0.65 -0.54 0.00 0.00 174.62 175.08 3n48 h PRO 51 N 3.50 0.33 -0.80 3.99 0.11 -2.00 -1.19 132.00 135.94 3n48 h PRO 51 Ca -0.36 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3n48 h PRO 51 Cb 1.18 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3n48 h PRO 51 CO 0.55 0.22 0.40 -0.44 -0.21 0.00 0.00 178.00 178.52 3n48 h ASP 52 N 0.34 1.03 -0.60 -2.05 3.32 -1.97 -1.06 116.42 115.42 3n48 h ASP 52 Ca 0.38 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3n48 h ASP 52 Cb 0.60 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3n48 h ASP 52 CO -0.43 0.85 0.18 0.00 -1.72 0.00 0.00 179.24 178.13 3n48 h ALA 53 N 1.31 0.79 -0.21 3.45 0.00 -1.71 -1.45 119.26 121.43 3n48 h ALA 53 Ca 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3n48 h ALA 53 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3n48 h ALA 53 CO -0.04 0.46 0.09 0.28 0.00 0.00 0.00 179.25 180.05 3n48 h VAL 54 N 0.86 1.15 0.00 0.00 2.07 -0.86 -1.82 116.25 117.65 3n48 h VAL 54 Ca 0.19 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3n48 h VAL 54 Cb 0.29 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3n48 h VAL 54 CO -0.01 0.15 0.00 0.24 0.02 0.00 0.00 177.57 177.97 3n48 h MET 55 N 0.20 0.00 -0.03 1.57 2.07 -1.11 -2.75 114.93 114.88 3n48 h MET 55 Ca 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 3n48 h MET 55 Cb 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 3n48 h MET 55 CO -0.01 0.00 -0.11 -1.13 1.07 0.00 0.00 176.91 176.73 3n48 n SER 56 N -2.94 2.75 -4.63 1.22 3.41 -0.56 -4.95 113.62 107.93 3n48 n SER 56 Ca 0.02 -1.88 -0.43 0.00 -0.26 0.00 0.00 58.87 56.33 3n48 n SER 56 Cb 0.40 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3n48 n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3n48 s ASN 57 N -2.08 6.35 0.27 4.04 3.84 -0.69 -4.90 114.94 121.76 3n48 s ASN 57 Ca 0.25 1.69 -0.03 0.00 0.21 0.00 0.00 52.86 54.99 3n48 s ASN 57 Cb 0.19 -2.53 0.37 0.00 -0.55 0.00 0.00 41.25 38.73 3n48 s ASN 57 CO 0.36 -1.27 1.87 0.00 -2.79 0.00 0.00 177.10 175.26 3n48 h ALA 58 N 10.89 1.25 -0.34 1.71 0.00 -1.90 -2.22 119.26 128.66 3n48 h ALA 58 Ca -0.35 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 3n48 h ALA 58 Cb 1.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3n48 h ALA 58 CO 1.00 0.57 -0.39 -0.22 0.00 0.00 0.00 179.25 180.20 3n48 h LYS 59 N 0.98 0.82 -0.65 0.00 1.63 -1.90 -1.38 116.57 116.07 3n48 h LYS 59 Ca 0.24 -0.43 0.02 0.00 -0.85 0.00 0.00 60.65 59.63 3n48 h LYS 59 Cb 0.13 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 3n48 h LYS 59 CO -0.03 1.06 0.41 0.28 -3.45 0.00 0.00 179.45 177.73 3n48 h VAL 60 N 0.67 1.12 -0.32 2.00 2.07 -1.82 0.15 116.25 120.11 3n48 h VAL 60 Ca 0.05 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3n48 h VAL 60 Cb 0.96 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3n48 h VAL 60 CO 0.09 0.15 0.16 0.11 0.02 0.00 0.00 177.57 178.10 3n48 h LYS 61 N 0.83 0.46 -0.24 1.57 1.57 -1.21 0.85 116.57 120.39 3n48 h LYS 61 Ca 0.25 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3n48 h LYS 61 Cb -0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3n48 h LYS 61 CO -0.08 0.42 -0.05 0.00 -0.57 0.00 0.00 179.45 179.18 3n48 h ALA 62 N 1.01 0.33 -0.52 3.86 0.00 -1.02 -2.27 119.26 120.66 3n48 h ALA 62 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3n48 h ALA 62 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3n48 h ALA 62 CO -0.01 0.11 -0.01 1.25 0.00 0.00 0.00 179.25 180.59 3n48 h HIS 63 N 0.20 0.95 -0.93 0.00 -0.00 -0.72 -2.81 115.15 111.84 3n48 h HIS 63 Ca 0.06 -0.15 0.06 0.00 -0.00 0.00 0.00 60.37 60.35 3n48 h HIS 63 Cb 0.50 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 27.59 3n48 h HIS 63 CO 0.05 0.87 0.60 0.78 -0.00 0.00 0.00 177.93 180.23 3n48 h GLY 64 N 0.99 1.36 1.29 5.26 0.00 -0.71 -0.93 103.07 110.34 3n48 h GLY 64 Ca 0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3n48 h GLY 64 CO 0.02 0.32 0.23 1.70 0.00 0.00 0.00 176.54 178.82 3n48 h LYS 65 N 1.08 0.90 -0.36 4.80 3.64 -1.15 0.43 116.57 125.91 3n48 h LYS 65 Ca 0.39 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 3n48 h LYS 65 Cb 0.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3n48 h LYS 65 CO -0.15 0.75 -0.25 0.87 -2.27 0.00 0.00 179.45 178.40 3n48 h LYS 66 N 0.88 0.80 -0.50 1.90 1.57 -1.20 -1.37 116.57 118.65 3n48 h LYS 66 Ca 0.21 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3n48 h LYS 66 Cb 0.20 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3n48 h LYS 66 CO -0.02 1.01 0.28 0.28 -0.57 0.00 0.00 179.45 180.43 3n48 h VAL 67 N 0.59 1.17 -0.76 0.50 2.07 -0.91 -1.36 116.25 117.56 3n48 h VAL 67 Ca 0.07 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3n48 h VAL 67 Cb 0.82 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3n48 h VAL 67 CO 0.07 0.18 0.31 0.25 0.02 0.00 0.00 177.57 178.40 3n48 h LEU 68 N 0.66 1.04 -1.24 2.57 5.85 -0.85 -1.37 115.31 121.97 3n48 h LEU 68 Ca 0.18 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3n48 h LEU 68 Cb 0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3n48 h LEU 68 CO -0.03 0.93 0.11 -1.13 -0.34 0.00 0.00 178.44 177.98 3n48 h ASN 69 N 1.09 0.58 -0.39 1.25 -1.24 -1.03 -1.02 115.58 114.82 3n48 h ASN 69 Ca 0.25 -0.09 -0.10 0.00 0.71 0.00 0.00 56.30 57.08 3n48 h ASN 69 Cb 0.21 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 3n48 h ASN 69 CO -0.02 0.58 -0.10 -1.28 -1.29 0.00 0.00 177.43 175.31 3n48 h SER 70 N 0.62 0.83 -0.70 1.15 0.87 -0.63 -0.48 113.55 115.22 3n48 h SER 70 Ca 0.14 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 3n48 h SER 70 Cb 0.23 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3n48 h SER 70 CO -0.00 0.96 0.34 -0.26 -0.53 0.00 0.00 176.83 177.34 3n48 h PHE 71 N 0.76 1.00 -0.59 2.24 0.04 -0.79 -2.25 116.94 117.34 3n48 h PHE 71 Ca 0.13 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.87 3n48 h PHE 71 Cb 0.61 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 3n48 h PHE 71 CO 0.03 0.73 0.39 0.77 -0.60 0.00 0.00 178.31 179.64 3n48 h SER 72 N 0.97 0.65 -0.74 2.17 0.02 -0.67 -1.19 113.55 114.75 3n48 h SER 72 Ca 0.24 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 3n48 h SER 72 Cb 0.10 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3n48 h SER 72 CO -0.03 0.46 0.26 0.44 -1.14 0.00 0.00 176.83 176.82 3n48 h ASP 73 N 0.76 1.06 -0.69 3.07 3.32 -0.76 -2.64 116.42 120.54 3n48 h ASP 73 Ca 0.22 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3n48 h ASP 73 Cb -0.03 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3n48 h ASP 73 CO -0.05 0.96 0.22 1.23 -1.72 0.00 0.00 179.24 179.88 3n48 h GLY 74 N 1.12 1.15 1.95 2.75 0.00 -0.69 -2.43 103.07 106.92 3n48 h GLY 74 Ca 0.25 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3n48 h GLY 74 CO -0.01 0.64 -0.14 1.41 0.00 0.00 0.00 176.54 178.43 3n48 h LEU 75 N 1.01 0.05 -0.03 3.11 4.07 -1.11 -1.88 115.31 120.54 3n48 h LEU 75 Ca 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.18 3n48 h LEU 75 Cb 0.29 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3n48 h LEU 75 CO -0.01 0.21 -0.27 0.29 -1.08 0.00 0.00 178.44 177.58 3n48 n LYS 76 N -4.34 0.08 -2.66 1.13 5.02 -1.01 -4.27 118.16 112.11 3n48 n LYS 76 Ca -0.02 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.15 3n48 n LYS 76 Cb 0.23 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3n48 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3n48 n ASN 77 N -1.43 2.02 0.24 4.39 3.02 -0.75 -4.94 115.26 117.81 3n48 n ASN 77 Ca 0.07 -2.64 0.08 0.00 -0.03 0.00 0.00 54.58 52.07 3n48 n ASN 77 Cb 0.33 -0.49 0.61 0.00 -0.61 0.00 0.00 39.78 39.62 3n48 n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n48 h LEU 78 N 2.77 0.00 -0.18 3.41 3.38 -1.62 -1.82 115.31 121.26 3n48 h LEU 78 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3n48 h LEU 78 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3n48 h LEU 78 CO 0.44 0.13 -0.30 0.47 0.09 0.00 0.00 178.44 179.27 3n48 n ASP 79 N -4.16 0.57 -3.08 -0.43 8.00 -1.26 -0.70 116.55 115.49 3n48 n ASP 79 Ca -0.02 -0.39 -0.17 0.00 0.71 0.00 0.00 54.79 54.91 3n48 n ASP 79 Cb 0.21 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 3n48 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3n48 n ASN 80 N -1.16 1.20 -0.07 -2.24 4.05 -0.70 -4.80 115.26 111.53 3n48 n ASN 80 Ca 0.09 -3.02 -0.13 0.00 0.45 0.00 0.00 54.58 51.98 3n48 n ASN 80 Cb 0.33 -0.60 -0.01 0.00 1.23 0.00 0.00 39.78 40.73 3n48 n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3n48 h LEU 81 N 2.99 0.90 -0.88 1.20 3.38 -1.67 -2.19 115.31 119.05 3n48 h LEU 81 Ca 0.07 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 3n48 h LEU 81 Cb 0.97 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3n48 h LEU 81 CO 0.52 1.24 0.54 0.11 0.09 0.00 0.00 178.44 180.94 3n48 h LYS 82 N 0.65 1.19 -0.20 1.13 1.57 -1.90 -1.27 116.57 117.74 3n48 h LYS 82 Ca 0.03 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 3n48 h LYS 82 Cb 1.08 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3n48 h LYS 82 CO 0.11 0.83 -0.60 0.78 -0.57 0.00 0.00 179.45 180.00 3n48 h GLY 83 N 1.21 0.73 1.36 3.86 0.00 -1.94 -1.78 103.07 106.50 3n48 h GLY 83 Ca 0.32 -0.88 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 3n48 h GLY 83 CO -0.06 0.79 -0.18 -0.84 0.00 0.00 0.00 176.54 176.26 3n48 h THR 84 N 0.50 1.26 -0.36 4.70 2.02 -1.15 -3.29 112.91 116.59 3n48 h THR 84 Ca -0.00 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.92 3n48 h THR 84 Cb 1.17 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3n48 h THR 84 CO 0.12 0.42 0.00 0.49 0.37 0.00 0.00 175.52 176.92 3n48 n PHE 85 N -4.14 0.47 -0.21 3.16 3.72 -0.50 -4.64 117.46 115.32 3n48 n PHE 85 Ca 0.01 -0.33 -0.06 0.00 -0.05 0.00 0.00 57.45 57.02 3n48 n PHE 85 Cb 0.40 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.97 3n48 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n48 h ALA 86 N 3.15 0.77 -0.60 4.37 0.00 -1.39 0.49 119.26 126.06 3n48 h ALA 86 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3n48 h ALA 86 Cb 0.80 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3n48 h ALA 86 CO 0.00 0.17 -0.02 0.87 0.00 0.00 0.00 179.25 180.27 3n48 h LYS 87 N 0.79 1.07 -0.11 0.00 1.79 -1.84 -1.58 116.57 116.70 3n48 h LYS 87 Ca 0.23 -0.35 -0.13 0.00 -2.18 0.00 0.00 60.65 58.22 3n48 h LYS 87 Cb -0.06 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 3n48 h LYS 87 CO -0.06 1.05 -0.51 -0.07 -1.08 0.00 0.00 179.45 178.79 3n48 h LEU 88 N 0.96 0.32 -0.58 2.94 3.38 -1.75 -2.11 115.31 118.46 3n48 h LEU 88 Ca 0.17 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3n48 h LEU 88 Cb 0.59 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3n48 h LEU 88 CO 0.04 0.77 0.19 -1.28 0.09 0.00 0.00 178.44 178.24 3n48 h SER 89 N 0.23 0.84 -0.52 -0.43 0.87 0.17 -1.61 113.55 113.10 3n48 h SER 89 Ca 0.01 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 3n48 h SER 89 Cb 0.97 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 3n48 h SER 89 CO 0.08 0.82 0.34 -0.08 -0.53 0.00 0.00 176.83 177.46 3n48 h GLU 90 N 0.81 0.68 0.11 2.24 4.81 -1.14 -2.05 114.58 120.05 3n48 h GLU 90 Ca 0.19 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3n48 h GLU 90 Cb 0.27 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3n48 h GLU 90 CO -0.01 0.45 -0.05 1.25 -0.73 0.00 0.00 179.01 179.92 3n48 h LEU 91 N 0.70 -0.13 -1.49 1.64 5.85 -1.19 -0.28 115.31 120.42 3n48 h LEU 91 Ca 0.19 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3n48 h LEU 91 Cb -0.08 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3n48 h LEU 91 CO -0.04 -0.01 -0.26 0.45 -0.34 0.00 0.00 178.44 178.23 3n48 h HIS 92 N -0.24 0.00 0.00 1.25 3.86 -1.26 -1.48 115.15 117.28 3n48 h HIS 92 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3n48 h HIS 92 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3n48 h HIS 92 CO -0.04 0.26 -0.18 0.00 0.86 0.00 0.00 177.93 178.83 3n48 h ASP 94 N -0.86 0.79 0.04 0.00 3.32 -1.15 -2.85 116.42 115.71 3n48 h ASP 94 Ca 0.00 -0.77 -0.29 0.00 0.02 0.00 0.00 57.03 56.00 3n48 h ASP 94 Cb 0.18 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3n48 h ASP 94 CO 0.00 1.46 -1.57 1.17 -1.72 0.00 0.00 179.24 178.58 3n48 n LYS 95 N -3.95 0.63 0.00 3.56 4.81 -0.97 -4.64 118.16 117.60 3n48 n LYS 95 Ca -0.11 0.46 -0.01 0.00 -0.87 0.00 0.00 58.31 57.77 3n48 n LYS 95 Cb 0.84 -1.72 -0.11 0.00 0.02 0.00 0.00 35.03 34.06 3n48 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3n48 n LEU 96 N -4.12 0.64 -3.65 3.14 4.77 -0.60 -5.00 117.00 112.20 3n48 n LEU 96 Ca -0.33 0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 55.69 3n48 n LEU 96 Cb 0.81 0.14 0.07 0.00 -2.33 0.00 0.00 43.42 42.11 3n48 n LEU 96 CO 0.26 0.21 0.20 1.41 -1.33 0.00 0.00 177.39 178.13 3n48 n HIS 97 N -2.82 -2.70 -2.73 -1.77 8.25 -0.23 -4.96 115.22 108.26 3n48 n HIS 97 Ca -0.13 0.99 -0.43 0.00 -0.26 0.00 0.00 57.72 57.89 3n48 n HIS 97 Cb 0.88 -4.83 -0.03 0.00 1.12 0.00 0.00 29.99 27.14 3n48 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3n48 s VAL 98 N -3.33 4.75 0.20 1.59 1.01 -0.01 -5.00 120.40 119.61 3n48 s VAL 98 Ca 0.54 1.90 -0.32 0.00 0.00 0.00 0.00 61.98 64.10 3n48 s VAL 98 Cb -0.24 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.77 3n48 s VAL 98 CO 0.75 -0.11 1.66 -0.62 0.00 0.00 0.00 175.10 176.79 3n48 s ASP 99 N 1.21 6.44 0.54 3.32 -1.08 -1.26 -4.76 116.67 121.08 3n48 s ASP 99 Ca 0.42 2.80 0.30 0.00 -0.52 0.00 0.00 52.55 55.55 3n48 s ASP 99 Cb -0.16 -2.60 1.46 0.00 -1.46 0.00 0.00 42.92 40.16 3n48 s ASP 99 CO 0.09 -0.92 1.92 -0.65 0.52 0.00 0.00 175.17 176.13 3n48 h PRO 100 N 6.64 0.00 -0.69 4.34 0.11 -1.97 -1.66 132.00 138.76 3n48 h PRO 100 Ca -0.43 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.80 3n48 h PRO 100 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3n48 h PRO 100 CO 0.93 0.00 0.46 1.49 -0.21 0.00 0.00 178.00 180.68 3n48 h GLU 101 N 0.00 0.42 0.00 1.05 4.57 -1.98 -1.64 114.58 116.99 3n48 h GLU 101 Ca 0.36 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.49 3n48 h GLU 101 Cb 1.47 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.96 3n48 h GLU 101 CO -0.00 0.28 -0.14 -0.91 -1.18 0.00 0.00 179.01 177.05 3n48 h ASN 102 N 0.43 0.00 -0.59 1.04 2.35 -1.67 -2.49 115.58 114.65 3n48 h ASN 102 Ca 0.33 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 3n48 h ASN 102 Cb 0.71 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 3n48 h ASN 102 CO -0.10 0.14 0.06 -0.26 -1.65 0.00 0.00 177.43 175.61 3n48 h PHE 103 N 0.00 1.09 -0.71 1.19 0.04 -1.47 -1.41 116.94 115.68 3n48 h PHE 103 Ca -0.00 -0.16 -0.07 0.00 2.80 0.00 0.00 57.97 60.54 3n48 h PHE 103 Cb 0.39 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 3n48 h PHE 103 CO 0.00 0.94 0.17 0.87 -0.60 0.00 0.00 178.31 179.69 3n48 h LYS 104 N 0.95 1.14 -0.21 1.51 1.57 -1.54 -2.31 116.57 117.68 3n48 h LYS 104 Ca 0.18 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3n48 h LYS 104 Cb 0.47 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3n48 h LYS 104 CO 0.02 1.00 0.10 -0.07 -0.57 0.00 0.00 179.45 179.93 3n48 h LEU 105 N 1.07 0.27 -0.71 2.94 3.38 -1.23 -1.71 115.31 119.32 3n48 h LEU 105 Ca 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3n48 h LEU 105 Cb 0.38 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3n48 h LEU 105 CO 0.00 0.32 0.34 0.25 0.09 0.00 0.00 178.44 179.44 3n48 h LEU 106 N 0.21 0.94 -0.53 1.67 5.85 -1.24 -0.47 115.31 121.73 3n48 h LEU 106 Ca 0.07 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.73 3n48 h LEU 106 Cb 0.12 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3n48 h LEU 106 CO -0.01 0.81 0.20 1.23 -0.34 0.00 0.00 178.44 180.34 3n48 h GLY 107 N 1.00 0.73 1.80 3.75 0.00 -1.25 0.48 103.07 109.58 3n48 h GLY 107 Ca 0.24 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 3n48 h GLY 107 CO -0.03 0.01 -0.56 3.43 0.00 0.00 0.00 176.54 179.39 3n48 h ASN 108 N 0.39 0.23 -0.45 0.19 2.35 -0.94 -2.30 115.58 115.05 3n48 h ASN 108 Ca 0.26 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 3n48 h ASN 108 Cb 0.28 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3n48 h ASN 108 CO -0.25 0.75 0.00 0.58 -1.65 0.00 0.00 177.43 176.85 3n48 h VAL 109 N 0.16 1.26 -0.74 2.81 2.07 -0.66 -1.50 116.25 119.65 3n48 h VAL 109 Ca -0.00 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.53 3n48 h VAL 109 Cb 1.04 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3n48 h VAL 109 CO 0.09 0.36 0.43 0.25 0.02 0.00 0.00 177.57 178.72 3n48 h LEU 110 N 0.64 0.67 -0.54 2.57 5.85 -0.77 -0.15 115.31 123.58 3n48 h LEU 110 Ca 0.13 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3n48 h LEU 110 Cb 0.49 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3n48 h LEU 110 CO 0.02 0.43 0.30 0.58 -0.34 0.00 0.00 178.44 179.44 3n48 h VAL 111 N 0.80 1.01 -0.99 1.05 2.07 -1.19 0.02 116.25 119.02 3n48 h VAL 111 Ca 0.32 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.66 3n48 h VAL 111 Cb 0.16 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3n48 h VAL 111 CO -0.17 0.11 0.65 0.00 0.02 0.00 0.00 177.57 178.18 3n48 h VAL 113 N 1.31 1.26 -0.65 0.00 2.07 -0.52 -0.02 116.25 119.70 3n48 h VAL 113 Ca 0.37 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3n48 h VAL 113 Cb -0.11 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3n48 h VAL 113 CO -0.09 0.33 0.42 -0.07 0.02 0.00 0.00 177.57 178.18 3n48 h LEU 114 N 0.52 0.72 -0.48 2.57 3.38 -0.65 0.21 115.31 121.58 3n48 h LEU 114 Ca 0.11 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3n48 h LEU 114 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3n48 h LEU 114 CO 0.02 0.51 0.31 0.00 0.09 0.00 0.00 178.44 179.37 3n48 h ALA 115 N 1.25 0.62 -0.50 1.53 0.00 -0.98 -0.47 119.26 120.71 3n48 h ALA 115 Ca 0.25 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3n48 h ALA 115 Cb -0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3n48 h ALA 115 CO -0.07 0.04 0.29 1.25 0.00 0.00 0.00 179.25 180.76 3n48 h HIS 116 N 0.64 0.55 -0.15 0.00 -0.00 -0.44 -0.27 115.15 115.48 3n48 h HIS 116 Ca 0.18 0.02 -0.19 0.00 -0.00 0.00 0.00 60.37 60.38 3n48 h HIS 116 Cb -0.05 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 27.19 3n48 h HIS 116 CO -0.05 0.31 -0.66 0.45 -0.00 0.00 0.00 177.93 177.98 3n48 h HIS 117 N 0.58 0.94 0.00 5.26 -0.00 -0.75 -3.37 115.15 117.82 3n48 h HIS 117 Ca 0.20 -0.41 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 3n48 h HIS 117 Cb 0.03 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 3n48 h HIS 117 CO -0.07 1.22 -1.34 1.19 -0.00 0.00 0.00 177.93 178.93 3n48 n PHE 118 N -4.05 0.01 0.00 2.45 3.72 -0.20 -5.04 117.46 114.34 3n48 n PHE 118 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3n48 n PHE 118 Cb 0.68 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3n48 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3n48 n GLY 119 N 1.41 3.59 0.30 1.37 0.00 -0.12 -2.12 105.19 109.63 3n48 n GLY 119 Ca 0.01 -0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.18 3n48 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n48 h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.96 -0.89 116.57 116.90 3n48 h LYS 120 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3n48 h LYS 120 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3n48 h LYS 120 CO 0.00 0.03 -0.19 0.93 -0.57 0.00 0.00 179.45 179.65 3n48 h GLU 121 N 0.00 0.00 -4.12 3.15 5.08 -1.83 -3.29 114.58 113.58 3n48 h GLU 121 Ca -0.00 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.64 3n48 h GLU 121 Cb 0.13 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 3n48 h GLU 121 CO 0.00 0.19 2.78 0.34 -1.00 0.00 0.00 179.01 181.32 3n48 n PHE 122 N -4.05 3.58 -1.08 4.33 7.35 -0.34 -4.90 117.46 122.35 3n48 n PHE 122 Ca -0.02 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 3n48 n PHE 122 Cb 0.27 -2.44 0.14 0.00 0.35 0.00 0.00 39.48 37.80 3n48 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3n48 s THR 123 N 2.71 2.63 0.42 -2.13 -4.23 -1.24 -4.71 115.64 109.09 3n48 s THR 123 Ca 0.46 0.21 0.14 0.00 -1.18 0.00 0.00 61.69 61.32 3n48 s THR 123 Cb 0.12 -2.58 0.34 0.00 1.34 0.00 0.00 72.50 71.71 3n48 s THR 123 CO -0.05 -0.27 1.94 -0.65 -0.54 0.00 0.00 174.62 175.05 3n48 h PRO 124 N -1.63 0.44 -0.26 3.99 0.11 -1.93 0.37 132.00 133.09 3n48 h PRO 124 Ca -0.49 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 3n48 h PRO 124 Cb 1.28 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3n48 h PRO 124 CO 0.52 0.29 -0.14 1.96 -0.21 0.00 0.00 178.00 180.42 3n48 h GLN 125 N 0.45 0.55 -0.55 1.05 7.50 -1.98 -1.32 115.11 120.82 3n48 h GLN 125 Ca 0.33 -0.25 -0.03 0.00 0.50 0.00 0.00 58.65 59.21 3n48 h GLN 125 Cb 0.68 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.18 3n48 h GLN 125 CO -0.10 0.81 0.23 0.28 -1.50 0.00 0.00 178.83 178.55 3n48 h VAL 126 N 0.28 1.22 -0.08 -0.54 2.07 -1.78 -2.76 116.25 114.66 3n48 h VAL 126 Ca 0.06 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3n48 h VAL 126 Cb 0.65 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3n48 h VAL 126 CO 0.04 0.25 -0.00 -0.61 0.02 0.00 0.00 177.57 177.27 3n48 h GLN 127 N 0.74 0.02 -0.80 1.57 4.15 -0.86 -1.66 115.11 118.27 3n48 h GLN 127 Ca 0.18 -0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.72 3n48 h GLN 127 Cb 0.18 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.78 3n48 h GLN 127 CO -0.02 0.01 0.41 0.00 -1.93 0.00 0.00 178.83 177.31 3n48 h ALA 128 N 1.07 1.15 -0.39 3.38 0.00 -1.15 0.13 119.26 123.44 3n48 h ALA 128 Ca 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3n48 h ALA 128 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3n48 h ALA 128 CO -0.07 -0.05 0.18 0.00 0.00 0.00 0.00 179.25 179.32 3n48 h ALA 129 N 1.50 0.51 -0.08 0.00 0.00 -1.23 -2.96 119.26 116.99 3n48 h ALA 129 Ca 0.41 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3n48 h ALA 129 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3n48 h ALA 129 CO -0.31 0.08 -0.29 1.88 0.00 0.00 0.00 179.25 180.61 3n48 h TYR 130 N 0.49 0.15 -0.54 0.00 0.05 -0.18 -2.67 116.97 114.28 3n48 h TYR 130 Ca 0.13 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.84 3n48 h TYR 130 Cb 0.14 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 3n48 h TYR 130 CO -0.01 0.42 0.15 1.96 -1.05 0.00 0.00 178.16 179.63 3n48 h GLN 131 N 0.13 0.82 -0.70 4.88 1.08 -0.66 -0.72 115.11 119.93 3n48 h GLN 131 Ca 0.02 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 3n48 h GLN 131 Cb 0.58 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 3n48 h GLN 131 CO 0.04 0.72 0.20 0.87 -0.95 0.00 0.00 178.83 179.72 3n48 h LYS 132 N 0.79 1.11 0.39 1.46 1.57 -1.33 -1.63 116.57 118.92 3n48 h LYS 132 Ca 0.18 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3n48 h LYS 132 Cb 0.26 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3n48 h LYS 132 CO -0.01 0.96 -0.19 0.28 -0.57 0.00 0.00 179.45 179.93 3n48 h VAL 133 N 1.05 0.62 -0.19 0.50 2.07 -1.24 -1.96 116.25 117.09 3n48 h VAL 133 Ca 0.23 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3n48 h VAL 133 Cb 0.33 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3n48 h VAL 133 CO -0.00 0.04 -0.24 -0.37 0.02 0.00 0.00 177.57 177.02 3n48 h VAL 134 N -0.65 1.25 -0.63 2.57 -1.51 -1.13 -1.04 116.25 115.10 3n48 h VAL 134 Ca -0.05 -1.17 -0.08 0.00 -1.23 0.00 0.00 66.70 64.16 3n48 h VAL 134 Cb 0.47 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 3n48 h VAL 134 CO 0.09 0.36 0.06 0.00 -1.23 0.00 0.00 177.57 176.86 3n48 h ALA 135 N 1.43 0.92 -0.42 5.19 0.00 -1.33 -1.26 119.26 123.78 3n48 h ALA 135 Ca 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3n48 h ALA 135 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3n48 h ALA 135 CO 0.04 0.66 0.18 0.78 0.00 0.00 0.00 179.25 180.91 3n48 h GLY 136 N 1.03 0.67 0.92 0.00 0.00 -0.65 -0.86 103.07 104.18 3n48 h GLY 136 Ca 0.19 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 3n48 h GLY 136 CO 0.02 0.34 0.08 -2.08 0.00 0.00 0.00 176.54 174.90 3n48 h VAL 137 N 0.54 1.23 -0.80 4.60 2.07 -1.14 -1.03 116.25 121.73 3n48 h VAL 137 Ca 0.14 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3n48 h VAL 137 Cb 0.18 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3n48 h VAL 137 CO -0.01 0.27 0.46 0.00 0.02 0.00 0.00 177.57 178.31 3n48 h ALA 138 N 0.93 1.02 -0.66 1.67 0.00 -1.17 -1.21 119.26 119.83 3n48 h ALA 138 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3n48 h ALA 138 Cb 0.32 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3n48 h ALA 138 CO 0.00 0.50 0.12 -0.97 0.00 0.00 0.00 179.25 178.90 3n48 h ASN 139 N 1.10 1.04 -0.58 0.00 -1.24 -1.01 -2.51 115.58 112.38 3n48 h ASN 139 Ca 0.28 -0.25 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 3n48 h ASN 139 Cb -0.01 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.74 3n48 h ASN 139 CO -0.05 1.03 -0.04 0.00 -1.29 0.00 0.00 177.43 177.08 3n48 h ALA 140 N 1.05 0.78 0.00 1.57 0.00 -0.86 -2.57 119.26 119.23 3n48 h ALA 140 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3n48 h ALA 140 Cb 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3n48 h ALA 140 CO 0.01 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.84 3n48 h LEU 141 N 0.93 0.00 -0.39 0.00 3.38 -1.20 -2.91 115.31 115.12 3n48 h LEU 141 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3n48 h LEU 141 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3n48 h LEU 141 CO 0.04 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 178.21 3n48 n ALA 142 N -2.07 3.29 -0.34 1.53 0.00 -0.95 -4.45 120.51 117.52 3n48 n ALA 142 Ca 0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.01 3n48 n ALA 142 Cb 0.36 -1.09 0.12 0.00 0.00 0.00 0.00 19.45 18.83 3n48 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3n48 h HIS 143 N 0.96 1.22 -0.00 0.00 6.17 -1.26 -2.38 115.15 119.86 3n48 h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3n48 h HIS 143 Cb 0.52 -0.40 0.00 0.00 2.52 0.00 0.00 27.41 30.05 3n48 h HIS 143 CO 0.00 0.80 -0.01 1.63 0.71 0.00 0.00 177.93 181.06 3n48 n LYS 144 N -4.36 0.91 0.10 5.26 4.76 -1.26 -2.92 118.16 120.65 3n48 n LYS 144 Ca 0.11 -0.10 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 3n48 n LYS 144 Cb 0.05 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 3n48 n LYS 144 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 3n48 h TYR 145 N 0.25 0.00 -0.02 2.13 0.05 -1.73 -3.48 116.97 114.17 3n48 h TYR 145 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3n48 h TYR 145 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 3n48 h TYR 145 CO 0.00 0.79 0.00 0.72 -1.05 0.00 0.00 178.16 178.62