#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g52 h VAL 3 N 0.00 1.14 -0.38 2.46 3.04 -1.89 -1.16 116.25 119.47 3g52 h VAL 3 Ca 0.00 -0.44 -0.13 0.00 -1.01 0.00 0.00 66.70 65.13 3g52 h VAL 3 Cb 0.00 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 29.97 3g52 h VAL 3 CO 0.00 0.17 -0.28 1.88 -1.01 0.00 0.00 177.57 178.33 3g52 h TYR 4 N 0.52 0.91 -0.18 3.17 0.05 -1.96 -0.28 116.97 119.19 3g52 h TYR 4 Ca 0.13 -0.23 -0.15 0.00 0.05 0.00 0.00 58.73 58.53 3g52 h TYR 4 Cb 0.10 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3g52 h TYR 4 CO 0.00 0.97 -0.50 -0.44 -1.05 0.00 0.00 178.16 177.15 3g52 h ASP 5 N 0.67 0.54 -0.51 3.88 3.32 -1.86 -2.11 116.42 120.36 3g52 h ASP 5 Ca 0.08 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 3g52 h ASP 5 Cb 0.81 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3g52 h ASP 5 CO 0.07 0.95 -0.03 0.00 -1.72 0.00 0.00 179.24 178.51 3g52 h ALA 6 N 1.06 0.69 -0.08 3.45 0.00 -0.99 -2.53 119.26 120.87 3g52 h ALA 6 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3g52 h ALA 6 Cb 1.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3g52 h ALA 6 CO 0.09 0.54 -0.17 0.00 0.00 0.00 0.00 179.25 179.71 3g52 h ALA 7 N 0.93 1.57 0.00 0.00 0.00 -0.91 -1.74 119.26 119.11 3g52 h ALA 7 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g52 h ALA 7 Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3g52 h ALA 7 CO 0.03 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3g52 h ALA 8 N 1.71 1.00 0.00 0.00 0.00 -0.94 -2.16 119.26 118.87 3g52 h ALA 8 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3g52 h ALA 8 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3g52 h ALA 8 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.31 3g52 n GLN 9 N -2.80 0.08 -2.74 0.00 1.13 -0.65 -4.40 117.38 107.99 3g52 n GLN 9 Ca 0.00 0.06 -0.43 0.00 -1.94 0.00 0.00 57.00 54.69 3g52 n GLN 9 Cb 0.22 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.07 3g52 n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g52 s LEU 10 N -2.91 4.38 1.00 1.08 1.43 -0.81 -4.94 118.68 117.91 3g52 s LEU 10 Ca 0.15 -2.68 -0.15 0.00 -1.03 0.00 0.00 54.13 50.42 3g52 s LEU 10 Cb 0.17 -2.50 0.19 0.00 0.03 0.00 0.00 46.19 44.08 3g52 s LEU 10 CO 0.44 -0.98 1.17 0.42 0.23 0.00 0.00 176.35 177.63 3g52 s THR 11 N 3.05 1.89 0.22 5.49 -4.23 -1.26 -4.70 115.64 116.10 3g52 s THR 11 Ca 0.49 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.92 3g52 s THR 11 Cb 0.01 -2.73 0.17 0.00 1.34 0.00 0.00 72.50 71.29 3g52 s THR 11 CO 0.04 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.86 3g52 h ALA 12 N -1.83 0.87 -0.68 3.99 0.00 -1.97 -0.26 119.26 119.37 3g52 h ALA 12 Ca -0.48 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3g52 h ALA 12 Cb 1.30 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3g52 h ALA 12 CO 0.49 -0.20 0.16 -0.44 0.00 0.00 0.00 179.25 179.26 3g52 h ASP 13 N 0.42 1.04 -0.29 0.00 3.32 -1.99 -1.76 116.42 117.16 3g52 h ASP 13 Ca 0.34 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3g52 h ASP 13 Cb 0.46 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3g52 h ASP 13 CO -0.34 1.00 -0.04 0.58 -1.72 0.00 0.00 179.24 178.72 3g52 h VAL 14 N 1.03 1.27 -0.87 -1.35 2.07 -1.73 -2.42 116.25 114.25 3g52 h VAL 14 Ca 0.21 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3g52 h VAL 14 Cb 0.37 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3g52 h VAL 14 CO 0.00 0.33 0.54 0.11 0.02 0.00 0.00 177.57 178.57 3g52 h LYS 15 N 0.30 1.17 -0.44 1.57 1.57 -0.94 -1.19 116.57 118.60 3g52 h LYS 15 Ca 0.08 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3g52 h LYS 15 Cb 0.49 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3g52 h LYS 15 CO 0.02 0.80 0.15 -0.22 -0.57 0.00 0.00 179.45 179.64 3g52 h LYS 16 N 1.20 0.68 -0.35 3.15 1.63 -1.18 -1.21 116.57 120.49 3g52 h LYS 16 Ca 0.32 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.91 3g52 h LYS 16 Cb -0.08 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 3g52 h LYS 16 CO -0.06 0.65 -0.07 -0.44 -3.45 0.00 0.00 179.45 176.07 3g52 h ASP 17 N 0.58 0.56 -0.17 4.20 3.32 -1.01 -0.00 116.42 123.89 3g52 h ASP 17 Ca 0.14 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3g52 h ASP 17 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3g52 h ASP 17 CO -0.01 0.68 0.02 -0.07 -1.72 0.00 0.00 179.24 178.14 3g52 h LEU 18 N 0.54 0.28 -0.36 1.55 3.38 -0.93 -2.13 115.31 117.64 3g52 h LEU 18 Ca 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3g52 h LEU 18 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3g52 h LEU 18 CO 0.02 0.48 0.11 0.03 0.09 0.00 0.00 178.44 179.18 3g52 h ARG 19 N 0.06 0.56 -0.52 1.13 3.08 -0.97 -0.98 114.38 116.74 3g52 h ARG 19 Ca 0.05 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3g52 h ARG 19 Cb 0.33 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3g52 h ARG 19 CO 0.01 0.58 0.30 -0.44 -1.07 0.00 0.00 179.97 179.35 3g52 h ASP 20 N 0.43 0.63 0.26 7.04 3.32 -0.99 -1.62 116.42 125.49 3g52 h ASP 20 Ca 0.12 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 3g52 h ASP 20 Cb 0.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3g52 h ASP 20 CO -0.00 0.51 -0.67 0.77 -1.72 0.00 0.00 179.24 178.13 3g52 h SER 21 N 0.69 0.44 -0.08 6.45 4.64 -1.35 -3.16 113.55 121.17 3g52 h SER 21 Ca 0.18 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 3g52 h SER 21 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3g52 h SER 21 CO -0.03 0.98 -0.15 -0.25 -0.87 0.00 0.00 176.83 176.51 3g52 h TRP 22 N 0.27 0.47 -0.82 4.77 2.91 -0.92 -1.54 115.95 121.08 3g52 h TRP 22 Ca -0.02 -0.07 0.09 0.00 1.13 0.00 0.00 58.89 60.02 3g52 h TRP 22 Cb 1.22 -0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 29.69 3g52 h TRP 22 CO 0.04 0.57 0.53 -0.22 -1.03 0.00 0.00 178.44 178.33 3g52 h LYS 23 N 0.40 0.77 0.00 2.65 3.64 -1.26 0.40 116.57 123.18 3g52 h LYS 23 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3g52 h LYS 23 Cb 0.50 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3g52 h LYS 23 CO 0.03 0.51 -0.12 0.28 -2.27 0.00 0.00 179.45 177.88 3g52 h VAL 24 N 0.80 0.51 -0.42 2.00 2.07 -1.54 -3.31 116.25 116.36 3g52 h VAL 24 Ca 0.37 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 3g52 h VAL 24 Cb 0.39 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3g52 h VAL 24 CO -0.15 0.17 -0.07 0.40 0.02 0.00 0.00 177.57 177.94 3g52 h ILE 25 N -1.00 1.25 0.00 4.57 5.03 -1.27 -2.63 117.51 123.46 3g52 h ILE 25 Ca -0.02 -1.07 0.00 0.00 -0.12 0.00 0.00 64.86 63.65 3g52 h ILE 25 Cb 0.38 1.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.18 3g52 h ILE 25 CO -0.01 0.37 0.00 0.61 -0.68 0.00 0.00 178.15 178.44 3g52 n GLY 26 N -0.56 -1.00 0.25 5.37 0.00 0.14 -2.79 105.19 106.60 3g52 n GLY 26 Ca 0.02 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.14 3g52 n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g52 h SER 27 N 0.00 0.00 -2.46 1.61 4.64 -1.55 -3.33 113.55 112.46 3g52 h SER 27 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3g52 h SER 27 Cb 0.25 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.95 3g52 h SER 27 CO 0.00 0.00 -0.88 -0.67 -0.87 0.00 0.00 176.83 174.41 3g52 n ASP 28 N -2.97 0.66 -0.24 4.97 2.03 -1.12 -4.98 116.55 114.90 3g52 n ASP 28 Ca 0.01 -2.67 -0.07 0.00 0.52 0.00 0.00 54.79 52.58 3g52 n ASP 28 Cb 0.33 -0.62 0.04 0.00 -0.72 0.00 0.00 41.12 40.15 3g52 n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3g52 h LYS 29 N 5.25 0.99 0.03 -0.67 1.57 -1.75 -1.26 116.57 120.73 3g52 h LYS 29 Ca 0.21 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3g52 h LYS 29 Cb 0.85 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3g52 h LYS 29 CO 0.49 0.83 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.97 3g52 h LYS 30 N 0.93 -0.03 -0.06 3.15 3.64 -1.92 0.85 116.57 123.13 3g52 h LYS 30 Ca 0.22 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3g52 h LYS 30 Cb 0.21 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3g52 h LYS 30 CO -0.02 0.24 0.01 0.78 -2.27 0.00 0.00 179.45 178.20 3g52 h GLY 31 N -0.31 0.11 2.00 5.01 0.00 -1.97 -2.19 103.07 105.74 3g52 h GLY 31 Ca -0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 3g52 h GLY 31 CO 0.01 0.07 -0.67 3.43 0.00 0.00 0.00 176.54 179.37 3g52 h ASN 32 N -0.12 0.00 -0.25 0.19 2.35 -1.31 -2.05 115.58 114.39 3g52 h ASN 32 Ca 0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3g52 h ASN 32 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3g52 h ASN 32 CO 0.00 0.67 -0.05 1.23 -1.65 0.00 0.00 177.43 177.63 3g52 h GLY 33 N 2.48 0.52 1.41 2.83 0.00 -0.81 -1.19 103.07 108.31 3g52 h GLY 33 Ca -0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 3g52 h GLY 33 CO 0.09 0.39 -0.23 -2.08 0.00 0.00 0.00 176.54 174.70 3g52 h VAL 34 N 0.24 1.27 -0.75 4.60 2.07 -1.40 -2.42 116.25 119.85 3g52 h VAL 34 Ca 0.07 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 3g52 h VAL 34 Cb 0.51 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3g52 h VAL 34 CO 0.02 0.43 0.40 0.00 0.02 0.00 0.00 177.57 178.44 3g52 h ALA 35 N 1.15 0.96 -0.27 1.67 0.00 -1.23 0.03 119.26 121.57 3g52 h ALA 35 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3g52 h ALA 35 Cb 0.71 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3g52 h ALA 35 CO 0.05 0.49 0.13 1.25 0.00 0.00 0.00 179.25 181.17 3g52 h LEU 36 N 1.04 0.36 -0.25 0.00 5.85 -0.98 -1.74 115.31 119.60 3g52 h LEU 36 Ca 0.26 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3g52 h LEU 36 Cb 0.06 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3g52 h LEU 36 CO -0.04 0.40 0.03 0.24 -0.34 0.00 0.00 178.44 178.73 3g52 h MET 37 N 0.30 0.43 -0.17 1.25 2.86 -1.15 -1.47 114.93 116.98 3g52 h MET 37 Ca 0.09 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3g52 h MET 37 Cb 0.14 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3g52 h MET 37 CO -0.01 0.57 -0.08 1.79 1.06 0.00 0.00 176.91 180.24 3g52 h THR 38 N 0.23 1.16 -0.31 2.22 1.35 -0.96 -1.11 112.91 115.47 3g52 h THR 38 Ca 0.08 -0.67 -0.16 0.00 -0.55 0.00 0.00 66.41 65.11 3g52 h THR 38 Cb 0.35 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3g52 h THR 38 CO 0.01 0.21 -0.41 0.74 -0.25 0.00 0.00 175.52 175.82 3g52 h THR 39 N 0.26 1.28 -0.28 6.82 2.02 -1.13 -0.46 112.91 121.42 3g52 h THR 39 Ca 0.06 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.65 3g52 h THR 39 Cb 0.30 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3g52 h THR 39 CO 0.01 0.52 0.16 0.25 0.37 0.00 0.00 175.52 176.84 3g52 h LEU 40 N 0.61 0.27 -0.82 2.58 5.85 -0.60 -0.61 115.31 122.59 3g52 h LEU 40 Ca 0.04 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 3g52 h LEU 40 Cb 1.01 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3g52 h LEU 40 CO 0.10 0.20 -0.13 -0.26 -0.34 0.00 0.00 178.44 178.00 3g52 h PHE 41 N 0.34 0.82 -0.26 1.25 0.04 -1.16 0.75 116.94 118.72 3g52 h PHE 41 Ca 0.11 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.64 3g52 h PHE 41 Cb -0.00 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 3g52 h PHE 41 CO -0.08 0.83 -0.17 0.00 -0.60 0.00 0.00 178.31 178.29 3g52 h ALA 42 N 1.18 0.37 0.00 2.45 0.00 -0.76 -3.08 119.26 119.42 3g52 h ALA 42 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3g52 h ALA 42 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3g52 h ALA 42 CO 0.04 0.28 -0.88 -0.44 0.00 0.00 0.00 179.25 178.25 3g52 h ASP 43 N 0.29 0.00 -2.09 0.00 3.32 -1.10 -3.39 116.42 113.44 3g52 h ASP 43 Ca 0.05 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.53 3g52 h ASP 43 Cb 0.71 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.85 3g52 h ASP 43 CO 0.05 0.15 -0.90 0.59 -1.72 0.00 0.00 179.24 177.41 3g52 n ASN 44 N -2.83 1.90 -0.02 6.45 4.13 0.25 -4.95 115.26 120.20 3g52 n ASN 44 Ca -0.01 -3.09 0.23 0.00 1.68 0.00 0.00 54.58 53.40 3g52 n ASN 44 Cb 0.62 -0.64 0.72 0.00 -1.54 0.00 0.00 39.78 38.94 3g52 n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 3g52 h GLN 45 N 3.82 0.00 0.00 3.52 4.20 -1.74 -1.07 115.11 123.85 3g52 h GLN 45 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3g52 h GLN 45 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 3g52 h GLN 45 CO 0.63 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.94 3g52 n GLU 46 N -3.92 0.19 0.01 1.46 0.00 -1.26 -2.23 120.64 114.88 3g52 n GLU 46 Ca 0.12 0.16 0.11 0.00 0.00 0.00 0.00 57.16 57.55 3g52 n GLU 46 Cb 0.77 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.64 3g52 n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3g52 n THR 47 N -1.29 0.06 -0.30 3.84 -2.24 -0.40 -4.40 114.28 109.56 3g52 n THR 47 Ca 0.06 -0.23 0.10 0.00 -2.27 0.00 0.00 64.05 61.71 3g52 n THR 47 Cb 0.11 0.42 0.32 0.00 -2.10 0.00 0.00 70.33 69.09 3g52 n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3g52 h ILE 48 N 0.00 0.89 -0.84 2.28 2.04 -1.60 -2.20 117.51 118.07 3g52 h ILE 48 Ca 0.00 -0.28 0.20 0.00 1.00 0.00 0.00 64.86 65.78 3g52 h ILE 48 Cb 0.72 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3g52 h ILE 48 CO 0.00 0.15 0.57 1.23 0.00 0.00 0.00 178.15 180.10 3g52 h GLY 49 N 0.81 0.58 2.00 5.37 0.00 -1.78 -0.37 103.07 109.68 3g52 h GLY 49 Ca 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 3g52 h GLY 49 CO -0.21 0.01 -0.19 -0.97 0.00 0.00 0.00 176.54 175.17 3g52 h TYR 50 N 0.28 0.00 -0.89 5.60 0.05 -1.71 -3.13 116.97 117.18 3g52 h TYR 50 Ca 0.42 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.73 3g52 h TYR 50 Cb 1.21 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.68 3g52 h TYR 50 CO -0.00 0.19 0.61 1.19 -1.05 0.00 0.00 178.16 179.09 3g52 n PHE 51 N -3.70 2.75 -0.28 4.88 3.72 -0.15 -4.66 117.46 120.01 3g52 n PHE 51 Ca -0.01 -1.82 0.22 0.00 -0.05 0.00 0.00 57.45 55.79 3g52 n PHE 51 Cb 0.31 -0.92 0.53 0.00 -0.94 0.00 0.00 39.48 38.45 3g52 n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3g52 h LYS 52 N 1.00 0.36 0.00 -1.08 3.64 -1.66 -1.12 116.57 117.70 3g52 h LYS 52 Ca 0.56 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.89 3g52 h LYS 52 Cb 2.47 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 34.20 3g52 h LYS 52 CO 1.03 0.24 -0.16 -0.09 -2.27 0.00 0.00 179.45 178.20 3g52 h ARG 53 N 0.37 0.00 0.00 1.90 2.43 -1.91 -2.64 114.38 114.53 3g52 h ARG 53 Ca 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 3g52 h ARG 53 Cb 1.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 3g52 h ARG 53 CO -0.21 0.16 0.00 1.28 -1.51 0.00 0.00 179.97 179.68 3g52 n LEU 54 N -4.34 0.09 0.00 3.80 4.77 -0.42 -5.01 117.00 115.89 3g52 n LEU 54 Ca -0.03 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3g52 n LEU 54 Cb 0.22 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3g52 n LEU 54 CO 0.36 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3g52 n GLY 55 N 0.75 0.38 3.55 -0.72 0.00 -1.00 -4.53 105.19 103.62 3g52 n GLY 55 Ca 0.05 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 3g52 n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g52 s ASP 56 N -4.00 6.39 0.27 1.61 2.15 -1.26 -4.85 116.67 116.98 3g52 s ASP 56 Ca 0.00 -1.16 0.23 0.00 0.43 0.00 0.00 52.55 52.05 3g52 s ASP 56 Cb 0.00 -2.55 1.01 0.00 -0.30 0.00 0.00 42.92 41.08 3g52 s ASP 56 CO 0.00 -1.58 1.70 1.33 -0.17 0.00 0.00 175.17 176.45 3g52 n VAL 57 N 6.60 0.86 0.44 1.11 0.24 -1.26 -2.38 118.33 123.94 3g52 n VAL 57 Ca 0.22 0.30 0.10 0.00 -2.04 0.00 0.00 64.34 62.92 3g52 n VAL 57 Cb 0.50 -1.25 0.42 0.00 -1.47 0.00 0.00 33.84 32.04 3g52 n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3g52 n SER 58 N -2.25 0.41 0.11 -1.34 3.41 -1.26 -2.00 113.62 110.71 3g52 n SER 58 Ca 0.02 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 3g52 n SER 58 Cb 0.20 -0.69 0.44 0.00 -0.26 0.00 0.00 64.21 63.90 3g52 n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g52 n GLN 59 N -1.96 0.23 0.00 4.33 6.02 -1.00 -4.97 117.38 120.04 3g52 n GLN 59 Ca 0.03 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 3g52 n GLN 59 Cb 0.21 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.64 3g52 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g52 n GLY 60 N 0.78 3.48 0.36 1.08 0.00 -0.85 -2.33 105.19 107.72 3g52 n GLY 60 Ca 0.04 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.17 3g52 n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3g52 h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.93 -1.01 114.93 115.45 3g52 h MET 61 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3g52 h MET 61 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3g52 h MET 61 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 3g52 h ALA 62 N 1.71 1.00 -1.99 0.39 0.00 -1.88 -3.42 119.26 115.06 3g52 h ALA 62 Ca 0.16 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.45 3g52 h ALA 62 Cb 0.78 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.45 3g52 h ALA 62 CO -0.00 0.00 0.43 1.21 0.00 0.00 0.00 179.25 180.89 3g52 s ASN 63 N -4.76 6.43 0.25 0.00 3.84 -0.38 -4.94 114.94 115.36 3g52 s ASN 63 Ca 0.05 -0.07 -0.06 0.00 0.21 0.00 0.00 52.86 52.99 3g52 s ASN 63 Cb 0.09 -2.41 0.30 0.00 -0.55 0.00 0.00 41.25 38.68 3g52 s ASN 63 CO 0.48 -0.98 1.90 0.44 -2.79 0.00 0.00 177.10 176.14 3g52 h ASP 64 N 9.04 1.02 -0.43 -4.21 3.32 -1.86 -0.63 116.42 122.68 3g52 h ASP 64 Ca -0.25 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 3g52 h ASP 64 Cb 1.08 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3g52 h ASP 64 CO 0.99 0.70 -0.08 0.11 -1.72 0.00 0.00 179.24 179.24 3g52 h LYS 65 N 1.19 0.88 -0.45 3.56 1.57 -1.92 -1.00 116.57 120.40 3g52 h LYS 65 Ca 0.37 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 3g52 h LYS 65 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3g52 h LYS 65 CO -0.12 0.93 -0.28 1.25 -0.57 0.00 0.00 179.45 180.66 3g52 h LEU 66 N 0.80 1.01 -0.53 2.94 5.85 -1.68 -1.31 115.31 122.39 3g52 h LEU 66 Ca 0.14 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 3g52 h LEU 66 Cb 0.59 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3g52 h LEU 66 CO 0.04 1.21 0.12 -0.09 -0.34 0.00 0.00 178.44 179.38 3g52 h ARG 67 N 0.82 0.85 -0.63 1.25 2.43 -0.88 0.14 114.38 118.36 3g52 h ARG 67 Ca 0.09 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 3g52 h ARG 67 Cb 0.86 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3g52 h ARG 67 CO 0.08 0.81 0.09 0.78 -1.51 0.00 0.00 179.97 180.22 3g52 h GLY 68 N 0.74 1.12 0.86 2.80 0.00 -1.11 -1.21 103.07 106.28 3g52 h GLY 68 Ca 0.16 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 3g52 h GLY 68 CO 0.00 0.68 -0.01 0.84 0.00 0.00 0.00 176.54 178.06 3g52 h HIS 69 N 0.97 0.53 -0.56 5.60 -0.00 -0.96 -2.48 115.15 118.25 3g52 h HIS 69 Ca 0.19 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.43 3g52 h HIS 69 Cb 0.43 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 3g52 h HIS 69 CO 0.03 0.65 0.22 0.77 -0.00 0.00 0.00 177.93 179.60 3g52 h SER 70 N 0.26 0.78 -0.33 3.26 0.02 -0.51 -0.75 113.55 116.28 3g52 h SER 70 Ca 0.08 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3g52 h SER 70 Cb 0.44 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3g52 h SER 70 CO 0.02 0.74 0.12 0.40 -1.14 0.00 0.00 176.83 176.96 3g52 h ILE 71 N 0.77 1.20 -0.74 3.27 2.04 -1.25 -2.81 117.51 119.99 3g52 h ILE 71 Ca 0.19 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3g52 h ILE 71 Cb 0.20 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3g52 h ILE 71 CO -0.02 0.22 0.44 0.74 0.00 0.00 0.00 178.15 179.53 3g52 h THR 72 N 0.39 1.21 -0.83 -0.27 2.02 -1.23 -1.95 112.91 112.25 3g52 h THR 72 Ca 0.11 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.82 3g52 h THR 72 Cb 0.22 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 3g52 h THR 72 CO -0.01 0.22 0.54 0.25 0.37 0.00 0.00 175.52 176.90 3g52 h LEU 73 N 1.03 0.95 -1.54 2.58 6.46 -0.92 -1.47 115.31 122.40 3g52 h LEU 73 Ca 0.27 -0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.95 3g52 h LEU 73 Cb -0.03 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.65 3g52 h LEU 73 CO -0.05 0.69 -0.24 0.24 -0.62 0.00 0.00 178.44 178.47 3g52 h MET 74 N 1.12 0.00 0.00 1.25 2.86 -1.11 -1.51 114.93 117.54 3g52 h MET 74 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3g52 h MET 74 Cb -0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3g52 h MET 74 CO -0.06 0.24 0.00 1.88 1.06 0.00 0.00 176.91 180.02 3g52 h TYR 75 N 0.00 0.00 -0.14 -0.22 0.05 -1.12 -1.42 116.97 114.12 3g52 h TYR 75 Ca -0.00 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.56 3g52 h TYR 75 Cb 0.50 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.24 3g52 h TYR 75 CO 0.00 0.00 -0.76 0.00 -1.05 0.00 0.00 178.16 176.35 3g52 h ALA 76 N 2.10 0.37 -0.20 3.88 0.00 -1.01 -1.70 119.26 122.71 3g52 h ALA 76 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 3g52 h ALA 76 Cb 0.81 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3g52 h ALA 76 CO 0.00 0.70 -0.45 -0.07 0.00 0.00 0.00 179.25 179.43 3g52 h LEU 77 N 0.50 0.55 -0.78 0.00 3.38 -1.25 -1.92 115.31 115.78 3g52 h LEU 77 Ca -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3g52 h LEU 77 Cb 1.38 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 3g52 h LEU 77 CO 0.15 0.92 0.35 -0.61 0.09 0.00 0.00 178.44 179.35 3g52 h GLN 78 N 0.41 1.15 0.13 1.13 5.75 -1.18 -1.48 115.11 121.01 3g52 h GLN 78 Ca 0.03 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.35 3g52 h GLN 78 Cb 0.96 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 3g52 h GLN 78 CO 0.08 0.91 -0.13 -0.97 -2.65 0.00 0.00 178.83 176.07 3g52 h ASN 79 N 1.12 -0.36 -0.45 -0.69 -0.73 -0.99 -1.07 115.58 112.40 3g52 h ASN 79 Ca 0.27 0.04 0.06 0.00 1.87 0.00 0.00 56.30 58.53 3g52 h ASN 79 Cb 0.16 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 3g52 h ASN 79 CO -0.03 -0.20 0.17 -0.26 -0.37 0.00 0.00 177.43 176.74 3g52 h PHE 80 N -0.29 0.31 -0.72 0.67 0.04 -0.98 -2.10 116.94 113.87 3g52 h PHE 80 Ca 0.01 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.81 3g52 h PHE 80 Cb 0.28 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 3g52 h PHE 80 CO -0.13 0.12 0.47 0.82 -0.60 0.00 0.00 178.31 178.99 3g52 h ILE 81 N 0.35 1.17 0.00 -0.55 1.08 -1.04 -1.84 117.51 116.67 3g52 h ILE 81 Ca 0.21 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3g52 h ILE 81 Cb 0.20 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 3g52 h ILE 81 CO -0.21 0.17 0.00 0.44 -0.69 0.00 0.00 178.15 177.87 3g52 h ASP 82 N 0.96 0.00 -0.20 1.72 3.32 -0.61 -2.74 116.42 118.87 3g52 h ASP 82 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3g52 h ASP 82 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3g52 h ASP 82 CO -0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 3g52 n GLN 83 N -2.95 2.23 0.12 3.56 1.13 -0.71 -4.50 117.38 116.26 3g52 n GLN 83 Ca -0.00 -1.83 0.15 0.00 -1.94 0.00 0.00 57.00 53.39 3g52 n GLN 83 Cb 0.23 -1.47 0.69 0.00 0.11 0.00 0.00 30.24 29.80 3g52 n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3g52 h LEU 84 N 3.94 0.00 -1.07 1.08 3.38 -1.28 -2.27 115.31 119.09 3g52 h LEU 84 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3g52 h LEU 84 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3g52 h LEU 84 CO 0.00 0.00 -0.45 0.44 0.09 0.00 0.00 178.44 178.52 3g52 h ASP 85 N 0.00 0.03 -3.66 -0.43 3.32 -1.83 -3.40 116.42 110.44 3g52 h ASP 85 Ca 0.14 -0.01 -0.65 0.00 0.02 0.00 0.00 57.03 56.53 3g52 h ASP 85 Cb 0.58 -0.01 -0.39 0.00 0.22 0.00 0.00 39.33 39.73 3g52 h ASP 85 CO -0.00 0.48 -0.74 0.21 -1.72 0.00 0.00 179.24 177.46 3g52 s ASN 86 N -6.90 4.55 0.44 6.45 3.84 -0.85 -5.00 114.94 117.47 3g52 s ASN 86 Ca -0.03 -1.88 0.16 0.00 0.21 0.00 0.00 52.86 51.33 3g52 s ASN 86 Cb 0.14 -1.50 1.09 0.00 -0.55 0.00 0.00 41.25 40.43 3g52 s ASN 86 CO 0.74 -0.34 1.95 1.55 -2.79 0.00 0.00 177.10 178.21 3g52 h PRO 87 N 7.72 0.35 -0.43 0.43 0.13 -1.79 -0.86 132.00 137.55 3g52 h PRO 87 Ca -0.09 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.92 3g52 h PRO 87 Cb 1.03 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 3g52 h PRO 87 CO 0.49 0.23 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.93 3g52 h ASP 88 N 0.36 0.76 0.64 1.44 3.32 -1.94 -0.80 116.42 120.20 3g52 h ASP 88 Ca 0.33 -0.23 -0.25 0.00 0.02 0.00 0.00 57.03 56.89 3g52 h ASP 88 Cb 0.78 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3g52 h ASP 88 CO -0.09 0.90 -1.15 0.44 -1.72 0.00 0.00 179.24 177.62 3g52 h ASP 89 N 0.70 0.37 -0.38 6.45 3.32 -1.61 -2.83 116.42 122.43 3g52 h ASP 89 Ca 0.12 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 3g52 h ASP 89 Cb 0.60 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3g52 h ASP 89 CO 0.04 1.27 0.18 0.25 -1.72 0.00 0.00 179.24 179.25 3g52 h LEU 90 N 0.08 0.51 -0.55 1.55 5.85 -1.05 -2.54 115.31 119.17 3g52 h LEU 90 Ca -0.11 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3g52 h LEU 90 Cb 1.86 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 3g52 h LEU 90 CO 0.18 0.51 0.31 0.58 -0.34 0.00 0.00 178.44 179.69 3g52 h VAL 91 N 0.48 1.18 0.00 1.05 2.07 -1.18 -0.88 116.25 118.97 3g52 h VAL 91 Ca 0.13 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3g52 h VAL 91 Cb 0.14 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3g52 h VAL 91 CO -0.01 0.19 -0.26 0.00 0.02 0.00 0.00 177.57 177.50 3g52 h VAL 93 N 0.00 1.38 -0.44 0.00 -1.51 -1.19 -2.77 116.25 111.71 3g52 h VAL 93 Ca -0.00 -3.07 -0.07 0.00 -1.23 0.00 0.00 66.70 62.33 3g52 h VAL 93 Cb 0.57 2.77 -0.02 0.00 -2.13 0.00 0.00 31.29 32.48 3g52 h VAL 93 CO 0.03 0.84 0.02 0.58 -1.23 0.00 0.00 177.57 177.81 3g52 h VAL 94 N 0.03 1.26 -0.21 7.19 2.07 -0.78 -2.26 116.25 123.55 3g52 h VAL 94 Ca -0.14 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 3g52 h VAL 94 Cb 1.91 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 3g52 h VAL 94 CO 0.14 0.35 -0.16 -0.33 0.02 0.00 0.00 177.57 177.59 3g52 h GLU 95 N 0.62 0.35 -0.35 1.57 5.08 -1.11 0.12 114.58 120.85 3g52 h GLU 95 Ca 0.13 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3g52 h GLU 95 Cb 0.46 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3g52 h GLU 95 CO 0.02 0.51 0.12 -0.22 -1.00 0.00 0.00 179.01 178.43 3g52 h LYS 96 N 0.32 0.54 0.00 2.33 3.11 -1.27 -2.24 116.57 119.36 3g52 h LYS 96 Ca 0.06 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 57.75 3g52 h LYS 96 Cb 0.47 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 3g52 h LYS 96 CO 0.03 0.56 -0.17 0.35 -2.81 0.00 0.00 179.45 177.41 3g52 h PHE 97 N 0.42 0.00 -0.10 1.91 3.04 -0.99 -2.97 116.94 118.24 3g52 h PHE 97 Ca 0.11 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.85 3g52 h PHE 97 Cb 0.24 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.76 3g52 h PHE 97 CO 0.01 0.17 -0.78 0.00 -2.02 0.00 0.00 178.31 175.68 3g52 h ALA 98 N 1.83 0.23 -0.87 2.41 0.00 -0.44 -3.17 119.26 119.25 3g52 h ALA 98 Ca -0.00 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.32 3g52 h ALA 98 Cb 0.73 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3g52 h ALA 98 CO 0.02 0.61 0.58 0.28 0.00 0.00 0.00 179.25 180.74 3g52 h VAL 99 N 0.40 1.21 -0.19 0.00 2.07 -1.26 0.20 116.25 118.69 3g52 h VAL 99 Ca -0.07 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3g52 h VAL 99 Cb 1.43 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3g52 h VAL 99 CO 0.16 0.21 0.13 0.78 0.02 0.00 0.00 177.57 178.87 3g52 h ASN 100 N 1.17 0.22 0.46 0.57 -0.26 -1.52 -1.78 115.58 114.44 3g52 h ASN 100 Ca 0.32 -0.01 -0.30 0.00 -0.56 0.00 0.00 56.30 55.76 3g52 h ASN 100 Cb -0.12 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.04 3g52 h ASN 100 CO -0.07 0.16 -1.75 1.41 -1.06 0.00 0.00 177.43 176.11 3g52 n HIS 101 N -4.51 0.95 -0.23 1.19 8.25 -0.52 -3.81 115.22 116.54 3g52 n HIS 101 Ca -0.00 0.34 -0.06 0.00 -0.26 0.00 0.00 57.72 57.74 3g52 n HIS 101 Cb 0.08 -1.18 0.09 0.00 1.12 0.00 0.00 29.99 30.10 3g52 n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3g52 h ILE 102 N 0.00 1.25 0.00 1.59 2.04 -0.25 -1.42 117.51 120.72 3g52 h ILE 102 Ca -0.30 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3g52 h ILE 102 Cb 2.03 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3g52 h ILE 102 CO 0.08 0.35 0.00 0.71 0.00 0.00 0.00 178.15 179.29 3g52 h THR 103 N 1.03 0.00 -0.34 -0.27 1.35 -1.48 -1.31 112.91 111.89 3g52 h THR 103 Ca 0.22 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3g52 h THR 103 Cb 0.32 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3g52 h THR 103 CO -0.00 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.81 3g52 n ARG 104 N -2.93 2.19 -2.62 4.72 3.00 -0.63 -4.94 116.66 115.44 3g52 n ARG 104 Ca 0.00 -1.80 -0.15 0.00 -0.01 0.00 0.00 57.85 55.89 3g52 n ARG 104 Cb 0.25 -1.45 0.02 0.00 0.00 0.00 0.00 32.46 31.27 3g52 n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3g52 n LYS 105 N 1.01 -2.65 -3.40 5.56 4.76 -0.49 -5.00 118.16 117.95 3g52 n LYS 105 Ca 0.18 0.63 -0.39 0.00 -2.87 0.00 0.00 58.31 55.86 3g52 n LYS 105 Cb 0.48 -4.87 -0.09 0.00 -1.84 0.00 0.00 35.03 28.72 3g52 n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g52 s ILE 106 N -2.88 5.19 0.69 -0.18 -1.09 -0.63 -5.04 121.20 117.25 3g52 s ILE 106 Ca 0.14 0.59 -0.06 0.00 -2.23 0.00 0.00 60.65 59.10 3g52 s ILE 106 Cb -0.06 -3.70 0.06 0.00 -1.58 0.00 0.00 42.46 37.17 3g52 s ILE 106 CO 0.18 0.19 0.99 -0.94 -1.23 0.00 0.00 174.94 174.12 3g52 s SER 107 N 1.46 4.88 0.23 3.58 1.04 -1.26 -4.49 113.70 119.15 3g52 s SER 107 Ca 0.16 0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.95 3g52 s SER 107 Cb -0.15 -1.11 0.22 0.00 0.10 0.00 0.00 66.02 65.08 3g52 s SER 107 CO 0.09 -1.54 1.84 0.00 0.98 0.00 0.00 173.24 174.61 3g52 h ALA 108 N -0.52 1.15 -0.50 5.32 0.00 -1.88 -0.88 119.26 121.94 3g52 h ALA 108 Ca -0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 3g52 h ALA 108 Cb 1.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3g52 h ALA 108 CO 0.60 0.66 0.17 0.00 0.00 0.00 0.00 179.25 180.68 3g52 h ALA 109 N 1.26 0.65 -0.04 0.00 0.00 -1.94 -1.68 119.26 117.52 3g52 h ALA 109 Ca 0.30 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3g52 h ALA 109 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3g52 h ALA 109 CO -0.04 0.29 -0.68 0.93 0.00 0.00 0.00 179.25 179.75 3g52 h GLU 110 N 0.67 0.19 -0.42 0.00 5.08 -1.88 -2.76 114.58 115.46 3g52 h GLU 110 Ca 0.16 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3g52 h GLU 110 Cb 0.25 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3g52 h GLU 110 CO -0.01 0.80 0.00 0.35 -1.00 0.00 0.00 179.01 179.15 3g52 h PHE 111 N 0.13 0.71 0.00 4.33 3.57 -1.02 -1.94 116.94 122.71 3g52 h PHE 111 Ca -0.02 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3g52 h PHE 111 Cb 1.22 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3g52 h PHE 111 CO 0.02 0.67 0.00 0.41 -2.23 0.00 0.00 178.31 177.18 3g52 n GLY 112 N -0.74 -0.92 0.07 2.40 0.00 -0.64 -2.12 105.19 103.24 3g52 n GLY 112 Ca 0.02 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3g52 n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g52 n LYS 113 N -2.00 0.09 0.20 1.61 5.02 -0.73 -1.94 118.16 120.41 3g52 n LYS 113 Ca 0.00 0.41 0.14 0.00 -2.02 0.00 0.00 58.31 56.85 3g52 n LYS 113 Cb 0.10 -1.70 0.50 0.00 -0.02 0.00 0.00 35.03 33.91 3g52 n LYS 113 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3g52 h ILE 114 N 0.00 0.00 -0.60 -0.18 6.09 -1.63 -3.16 117.51 118.03 3g52 h ILE 114 Ca 0.00 -0.50 -0.02 0.00 -1.37 0.00 0.00 64.86 62.97 3g52 h ILE 114 Cb 0.22 1.42 -0.03 0.00 0.47 0.00 0.00 36.82 38.90 3g52 h ILE 114 CO 0.00 0.00 0.30 0.78 -3.07 0.00 0.00 178.15 176.16 3g52 h ASN 115 N 0.00 0.75 0.55 2.19 -0.26 -1.63 -1.76 115.58 115.41 3g52 h ASN 115 Ca 0.00 -0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.65 3g52 h ASN 115 Cb 0.58 -0.19 0.01 0.00 -1.06 0.00 0.00 38.32 37.65 3g52 h ASN 115 CO 0.00 0.63 -0.26 1.23 -1.06 0.00 0.00 177.43 177.96 3g52 h GLY 116 N 0.92 -0.77 0.74 2.83 0.00 -1.77 -2.07 103.07 102.95 3g52 h GLY 116 Ca 0.21 0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.89 3g52 h GLY 116 CO -0.03 -0.28 0.59 -2.55 0.00 0.00 0.00 176.54 174.27 3g52 h PRO 117 N -0.80 1.05 -0.45 4.80 0.11 -1.70 -1.85 132.00 133.17 3g52 h PRO 117 Ca -0.08 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3g52 h PRO 117 Cb 0.59 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3g52 h PRO 117 CO 0.12 0.70 0.27 0.82 -0.21 0.00 0.00 178.00 179.70 3g52 h ILE 118 N 1.09 1.14 -0.63 4.15 2.04 -1.23 -1.00 117.51 123.06 3g52 h ILE 118 Ca 0.40 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 3g52 h ILE 118 Cb 0.15 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3g52 h ILE 118 CO -0.17 0.15 0.16 0.50 0.00 0.00 0.00 178.15 178.79 3g52 h LYS 119 N 0.60 1.01 -0.06 2.37 3.64 -0.97 -1.29 116.57 121.87 3g52 h LYS 119 Ca 0.16 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3g52 h LYS 119 Cb -0.00 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3g52 h LYS 119 CO -0.03 0.91 0.02 0.87 -2.27 0.00 0.00 179.45 178.95 3g52 h LYS 120 N 0.93 0.10 -0.55 1.90 1.57 -1.06 -0.68 116.57 118.78 3g52 h LYS 120 Ca 0.20 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 3g52 h LYS 120 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3g52 h LYS 120 CO 0.00 0.24 -0.09 0.28 -0.57 0.00 0.00 179.45 179.31 3g52 h VAL 121 N -0.07 1.27 -0.68 0.50 2.07 -1.17 -2.24 116.25 115.93 3g52 h VAL 121 Ca 0.02 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.31 3g52 h VAL 121 Cb 0.18 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3g52 h VAL 121 CO -0.00 0.44 0.44 -0.07 0.02 0.00 0.00 177.57 178.40 3g52 h LEU 122 N 0.92 0.74 -1.43 2.57 3.38 -1.16 -1.86 115.31 118.46 3g52 h LEU 122 Ca 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3g52 h LEU 122 Cb 0.66 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3g52 h LEU 122 CO 0.05 0.52 0.26 0.00 0.09 0.00 0.00 178.44 179.36 3g52 h ALA 123 N 1.27 1.57 0.00 1.53 0.00 -0.85 0.46 119.26 123.24 3g52 h ALA 123 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3g52 h ALA 123 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3g52 h ALA 123 CO -0.08 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 3g52 n SER 124 N -4.42 0.15 -0.78 0.00 3.41 -0.72 -1.68 113.62 109.58 3g52 n SER 124 Ca 0.04 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 3g52 n SER 124 Cb 0.10 -0.57 0.16 0.00 -0.26 0.00 0.00 64.21 63.64 3g52 n SER 124 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g52 n LYS 125 N -1.66 2.33 -1.68 4.33 4.76 -0.02 -4.96 118.16 121.26 3g52 n LYS 125 Ca 0.04 -2.00 -0.03 0.00 -2.87 0.00 0.00 58.31 53.45 3g52 n LYS 125 Cb 0.20 -1.34 -0.01 0.00 -1.84 0.00 0.00 35.03 32.05 3g52 n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3g52 n ASN 126 N 0.85 -2.29 -4.25 4.39 2.85 -0.67 -5.03 115.26 111.10 3g52 n ASN 126 Ca 0.14 0.02 -0.36 0.00 -0.11 0.00 0.00 54.58 54.27 3g52 n ASN 126 Cb 0.45 -1.08 -0.13 0.00 1.24 0.00 0.00 39.78 40.26 3g52 n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3g52 s PHE 127 N -2.12 3.19 0.00 1.20 0.40 -0.22 -4.99 117.98 115.44 3g52 s PHE 127 Ca 0.00 -1.44 0.00 0.00 -0.60 0.00 0.00 56.93 54.89 3g52 s PHE 127 Cb 0.00 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.35 3g52 s PHE 127 CO 0.00 -0.71 0.00 0.41 0.70 0.00 0.00 175.22 175.62 3g52 n GLY 128 N 4.75 -1.04 0.41 4.36 0.00 -1.26 -2.73 105.19 109.68 3g52 n GLY 128 Ca -0.14 -1.67 0.27 0.00 0.00 0.00 0.00 46.02 44.48 3g52 n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g52 h ASP 129 N 0.00 0.41 -0.47 1.61 5.19 -1.98 -0.68 116.42 120.50 3g52 h ASP 129 Ca 0.00 0.12 0.09 0.00 -0.62 0.00 0.00 57.03 56.61 3g52 h ASP 129 Cb 0.00 0.06 -0.08 0.00 0.18 0.00 0.00 39.33 39.49 3g52 h ASP 129 CO 0.00 -0.02 -0.00 0.50 -3.12 0.00 0.00 179.24 176.60 3g52 h LYS 130 N 0.31 0.11 -0.08 3.56 3.64 -1.99 0.14 116.57 122.25 3g52 h LYS 130 Ca 0.68 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.84 3g52 h LYS 130 Cb 1.81 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3g52 h LYS 130 CO -0.38 0.07 -0.82 1.88 -2.27 0.00 0.00 179.45 177.93 3g52 h TYR 131 N 0.11 0.77 -0.88 1.91 0.05 -1.46 -2.68 116.97 114.78 3g52 h TYR 131 Ca 0.23 -0.36 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 3g52 h TYR 131 Cb 0.35 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 3g52 h TYR 131 CO -0.30 1.16 0.48 0.00 -1.05 0.00 0.00 178.16 178.45 3g52 h ALA 132 N 0.73 1.13 -0.30 3.88 0.00 -0.94 -1.57 119.26 122.18 3g52 h ALA 132 Ca -0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3g52 h ALA 132 Cb 1.43 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3g52 h ALA 132 CO 0.15 0.64 -0.24 -0.91 0.00 0.00 0.00 179.25 178.89 3g52 h ASN 133 N 1.23 0.60 -0.36 0.00 -0.26 -0.72 -1.08 115.58 114.99 3g52 h ASN 133 Ca 0.31 -0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 3g52 h ASN 133 Cb 0.03 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 3g52 h ASN 133 CO -0.05 0.83 0.16 0.00 -1.06 0.00 0.00 177.43 177.31 3g52 h ALA 134 N 1.22 0.46 0.00 -0.83 0.00 -1.04 -2.39 119.26 116.68 3g52 h ALA 134 Ca 0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3g52 h ALA 134 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3g52 h ALA 134 CO 0.05 0.03 -0.35 -1.49 0.00 0.00 0.00 179.25 177.49 3g52 h TRP 135 N 0.43 0.00 -0.15 0.00 4.06 -1.08 -2.14 115.95 117.08 3g52 h TRP 135 Ca 0.12 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.01 3g52 h TRP 135 Cb 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 3g52 h TRP 135 CO -0.01 0.35 -0.19 0.00 -3.56 0.00 0.00 178.44 175.03 3g52 h ALA 136 N 1.65 1.41 -0.23 1.49 0.00 -0.73 -0.53 119.26 122.32 3g52 h ALA 136 Ca -0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3g52 h ALA 136 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3g52 h ALA 136 CO 0.05 0.41 -0.41 0.87 0.00 0.00 0.00 179.25 180.16 3g52 h LYS 137 N 0.23 0.55 -0.19 0.00 1.57 -0.91 -0.37 116.57 117.44 3g52 h LYS 137 Ca 0.04 -0.28 -0.19 0.00 -1.87 0.00 0.00 60.65 58.35 3g52 h LYS 137 Cb 0.47 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.79 3g52 h LYS 137 CO 0.03 0.86 -0.64 1.25 -0.57 0.00 0.00 179.45 180.39 3g52 h LEU 138 N 0.45 0.89 -1.44 2.94 5.85 -1.28 -2.85 115.31 119.87 3g52 h LEU 138 Ca 0.04 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.16 3g52 h LEU 138 Cb 0.91 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3g52 h LEU 138 CO 0.08 1.33 0.35 0.58 -0.34 0.00 0.00 178.44 180.44 3g52 h VAL 139 N 0.49 1.15 0.00 1.05 2.07 -0.98 -1.04 116.25 118.99 3g52 h VAL 139 Ca -0.03 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3g52 h VAL 139 Cb 1.26 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3g52 h VAL 139 CO 0.14 0.15 -0.07 0.00 0.02 0.00 0.00 177.57 177.80 3g52 h ALA 140 N 1.64 1.46 -0.36 1.67 0.00 -0.83 -0.90 119.26 121.95 3g52 h ALA 140 Ca 0.20 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3g52 h ALA 140 Cb -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3g52 h ALA 140 CO -0.04 0.09 -0.41 0.28 0.00 0.00 0.00 179.25 179.17 3g52 h VAL 141 N 0.00 1.27 -0.39 0.00 2.07 -1.09 -1.93 116.25 116.18 3g52 h VAL 141 Ca -0.00 -1.59 -0.12 0.00 0.82 0.00 0.00 66.70 65.81 3g52 h VAL 141 Cb 0.18 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3g52 h VAL 141 CO 0.01 0.53 -0.22 0.58 0.02 0.00 0.00 177.57 178.49 3g52 h VAL 142 N 0.72 1.28 -0.69 2.57 2.07 -1.26 -2.92 116.25 118.02 3g52 h VAL 142 Ca 0.05 -1.36 0.06 0.00 0.82 0.00 0.00 66.70 66.26 3g52 h VAL 142 Cb 1.01 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3g52 h VAL 142 CO 0.10 0.46 0.46 1.56 0.02 0.00 0.00 177.57 180.16 3g52 h GLN 143 N 0.65 0.71 0.00 1.57 4.20 -1.08 -0.47 115.11 120.70 3g52 h GLN 143 Ca 0.08 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3g52 h GLN 143 Cb 0.78 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 3g52 h GLN 143 CO 0.06 0.47 -0.01 0.00 -0.67 0.00 0.00 178.83 178.69 3g52 h ALA 144 N 1.62 1.01 -0.01 3.87 0.00 -1.15 -2.41 119.26 122.19 3g52 h ALA 144 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3g52 h ALA 144 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3g52 h ALA 144 CO -0.09 0.01 -0.43 0.00 0.00 0.00 0.00 179.25 178.74 3g52 n ALA 145 N -2.10 3.45 1.48 0.00 0.00 -0.20 -4.39 120.51 118.76 3g52 n ALA 145 Ca -0.01 -0.57 0.14 0.00 0.00 0.00 0.00 53.44 53.00 3g52 n ALA 145 Cb 0.21 -0.90 0.51 0.00 0.00 0.00 0.00 19.45 19.27 3g52 n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78