#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 1.26 -0.88 -3.33 2.07 -1.90 -2.33 116.25 111.14 3g52 h VAL 3 Ca 0.00 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.30 3g52 h VAL 3 Cb 0.00 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3g52 h VAL 3 CO 0.00 0.43 0.58 0.22 0.02 0.00 0.00 177.57 178.82 3g52 h TYR 4 N 0.84 1.12 -0.45 1.57 3.20 -1.95 -0.62 116.97 120.68 3g52 h TYR 4 Ca 0.14 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3g52 h TYR 4 Cb 0.64 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3g52 h TYR 4 CO 0.04 0.71 0.21 -0.44 -1.64 0.00 0.00 178.16 177.04 3g52 h ASP 5 N 1.20 0.59 -0.34 -2.11 3.32 -1.90 0.28 116.42 117.45 3g52 h ASP 5 Ca 0.32 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3g52 h ASP 5 Cb -0.13 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3g52 h ASP 5 CO -0.07 0.56 0.05 0.00 -1.72 0.00 0.00 179.24 178.05 3g52 h ALA 6 N 1.05 1.28 0.00 3.45 0.00 -0.93 -2.70 119.26 121.42 3g52 h ALA 6 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3g52 h ALA 6 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3g52 h ALA 6 CO -0.02 0.49 -0.08 0.00 0.00 0.00 0.00 179.25 179.64 3g52 h ALA 7 N 1.41 0.01 0.00 0.00 0.00 -0.79 -3.23 119.26 116.66 3g52 h ALA 7 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3g52 h ALA 7 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3g52 h ALA 7 CO 0.01 -0.04 0.05 0.00 0.00 0.00 0.00 179.25 179.27 3g52 n ALA 8 N -2.52 0.97 0.13 0.00 0.00 0.94 -1.33 120.51 118.70 3g52 n ALA 8 Ca -0.10 0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.59 3g52 n ALA 8 Cb 0.43 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.69 3g52 n ALA 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3g52 h GLN 9 N 0.00 0.00 -5.74 0.00 -0.00 -1.49 -3.45 115.11 104.44 3g52 h GLN 9 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 58.11 3g52 h GLN 9 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.58 3g52 h GLN 9 CO 0.00 0.24 1.57 1.28 -0.00 0.00 0.00 178.83 181.92 3g52 n LEU 10 N -3.02 2.39 -4.83 0.06 4.77 -0.44 -4.92 117.00 111.00 3g52 n LEU 10 Ca -0.00 -0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 3g52 n LEU 10 Cb 0.67 -1.46 0.12 0.00 -2.33 0.00 0.00 43.42 40.41 3g52 n LEU 10 CO 0.39 -1.09 0.74 0.42 -1.33 0.00 0.00 177.39 176.52 3g52 s THR 11 N 9.94 2.08 0.34 -5.08 -4.23 -1.26 -4.79 115.64 112.64 3g52 s THR 11 Ca 1.04 0.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.63 3g52 s THR 11 Cb -0.44 -2.86 0.30 0.00 1.34 0.00 0.00 72.50 70.83 3g52 s THR 11 CO 0.35 -0.03 1.93 0.00 -0.54 0.00 0.00 174.62 176.32 3g52 h ALA 12 N -1.31 1.68 -0.29 3.99 0.00 -1.99 -0.03 119.26 121.30 3g52 h ALA 12 Ca -0.49 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 3g52 h ALA 12 Cb 1.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3g52 h ALA 12 CO 0.63 0.17 -0.52 -0.44 0.00 0.00 0.00 179.25 179.09 3g52 h ASP 13 N 0.82 0.95 -0.44 0.00 3.32 -1.99 -1.69 116.42 117.39 3g52 h ASP 13 Ca 0.36 -0.49 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 3g52 h ASP 13 Cb 0.34 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3g52 h ASP 13 CO -0.14 1.29 -0.10 0.58 -1.72 0.00 0.00 179.24 179.15 3g52 h VAL 14 N 0.66 1.27 -0.53 -1.35 2.07 -1.75 -1.77 116.25 114.85 3g52 h VAL 14 Ca 0.02 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3g52 h VAL 14 Cb 1.12 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3g52 h VAL 14 CO 0.12 0.41 0.16 0.11 0.02 0.00 0.00 177.57 178.38 3g52 h LYS 15 N 0.67 0.80 -0.29 1.57 1.57 -0.98 -0.53 116.57 119.37 3g52 h LYS 15 Ca 0.11 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3g52 h LYS 15 Cb 0.63 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3g52 h LYS 15 CO 0.04 0.70 0.09 -0.22 -0.57 0.00 0.00 179.45 179.50 3g52 h LYS 16 N 0.78 0.45 -0.50 3.15 1.63 -1.03 -0.68 116.57 120.38 3g52 h LYS 16 Ca 0.18 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 59.81 3g52 h LYS 16 Cb 0.25 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 3g52 h LYS 16 CO -0.01 0.50 0.02 -0.44 -3.45 0.00 0.00 179.45 176.07 3g52 h ASP 17 N 0.31 0.78 -0.20 4.20 3.32 -0.97 -0.11 116.42 123.75 3g52 h ASP 17 Ca 0.09 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3g52 h ASP 17 Cb 0.23 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3g52 h ASP 17 CO -0.00 0.84 0.04 -0.07 -1.72 0.00 0.00 179.24 178.33 3g52 h LEU 18 N 0.76 0.31 -0.58 1.55 3.38 -0.88 -2.22 115.31 117.65 3g52 h LEU 18 Ca 0.15 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3g52 h LEU 18 Cb 0.44 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3g52 h LEU 18 CO 0.02 0.47 -0.01 0.03 0.09 0.00 0.00 178.44 179.04 3g52 h ARG 19 N 0.14 1.02 -0.50 1.13 3.08 -0.94 -0.76 114.38 117.54 3g52 h ARG 19 Ca 0.06 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 3g52 h ARG 19 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3g52 h ARG 19 CO 0.00 1.02 0.21 -0.44 -1.07 0.00 0.00 179.97 179.68 3g52 h ASP 20 N 0.91 0.69 0.33 7.04 3.32 -0.99 -1.85 116.42 125.87 3g52 h ASP 20 Ca 0.16 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3g52 h ASP 20 Cb 0.56 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3g52 h ASP 20 CO 0.03 0.67 -0.67 0.77 -1.72 0.00 0.00 179.24 178.31 3g52 h SER 21 N 0.67 0.37 0.35 6.45 4.64 -1.34 -3.12 113.55 121.58 3g52 h SER 21 Ca 0.17 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 61.18 3g52 h SER 21 Cb 0.19 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3g52 h SER 21 CO -0.01 0.93 -0.38 -0.25 -0.87 0.00 0.00 176.83 176.25 3g52 h TRP 22 N 0.22 0.04 -0.96 4.77 2.91 -0.94 -1.25 115.95 120.74 3g52 h TRP 22 Ca -0.02 -0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.12 3g52 h TRP 22 Cb 1.22 -0.01 -0.08 0.00 -0.51 0.00 0.00 29.16 29.78 3g52 h TRP 22 CO 0.03 0.41 0.61 0.87 -1.03 0.00 0.00 178.44 179.33 3g52 h LYS 23 N 0.03 0.85 0.00 2.65 1.57 -1.27 0.38 116.57 120.78 3g52 h LYS 23 Ca 0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3g52 h LYS 23 Cb 0.69 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3g52 h LYS 23 CO 0.05 0.56 -0.25 0.28 -0.57 0.00 0.00 179.45 179.52 3g52 h VAL 24 N 0.87 0.06 -0.13 0.50 2.07 -1.56 -3.28 116.25 114.78 3g52 h VAL 24 Ca 0.48 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3g52 h VAL 24 Cb 0.59 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3g52 h VAL 24 CO -0.25 0.02 -0.16 0.16 0.02 0.00 0.00 177.57 177.37 3g52 h ILE 25 N -1.00 1.18 -0.00 4.57 3.07 -1.25 -2.25 117.51 121.84 3g52 h ILE 25 Ca -0.01 -0.82 0.00 0.00 1.55 0.00 0.00 64.86 65.58 3g52 h ILE 25 Cb 0.28 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 3g52 h ILE 25 CO -0.00 0.25 -0.01 0.61 -1.05 0.00 0.00 178.15 177.95 3g52 n GLY 26 N -0.84 -1.25 0.15 0.16 0.00 0.13 -3.43 105.19 100.12 3g52 n GLY 26 Ca -0.01 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.03 0.00 -2.42 1.61 4.64 -1.46 -3.35 113.55 112.60 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 0.28 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.97 3g52 h SER 27 CO 0.00 0.00 -0.86 -0.67 -0.87 0.00 0.00 176.83 174.43 3g52 n ASP 28 N -2.59 1.03 -0.30 4.97 2.03 -1.22 -4.98 116.55 115.50 3g52 n ASP 28 Ca 0.05 -2.78 -0.06 0.00 0.52 0.00 0.00 54.79 52.52 3g52 n ASP 28 Cb 0.45 -0.63 0.07 0.00 -0.72 0.00 0.00 41.12 40.28 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 5.01 1.19 0.01 -0.67 1.57 -1.76 -0.71 116.57 121.20 3g52 h LYS 29 Ca 0.19 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3g52 h LYS 29 Cb 0.83 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3g52 h LYS 29 CO 0.53 0.95 -0.00 -0.22 -0.57 0.00 0.00 179.45 180.14 3g52 h LYS 30 N 1.17 -0.01 -0.06 3.15 3.64 -1.92 0.87 116.57 123.40 3g52 h LYS 30 Ca 0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3g52 h LYS 30 Cb 0.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3g52 h LYS 30 CO -0.03 0.30 0.02 0.78 -2.27 0.00 0.00 179.45 178.25 3g52 h GLY 31 N -0.32 0.11 2.00 5.01 0.00 -1.96 -2.39 103.07 105.52 3g52 h GLY 31 Ca -0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 3g52 h GLY 31 CO 0.00 0.06 -0.62 3.43 0.00 0.00 0.00 176.54 179.41 3g52 h ASN 32 N -0.10 0.00 -0.28 0.19 2.35 -1.21 -2.30 115.58 114.23 3g52 h ASN 32 Ca 0.02 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 3g52 h ASN 32 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3g52 h ASN 32 CO -0.00 0.62 -0.14 1.23 -1.65 0.00 0.00 177.43 177.49 3g52 h GLY 33 N 2.86 0.64 1.45 2.83 0.00 -0.82 -0.95 103.07 109.09 3g52 h GLY 33 Ca -0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.62 3g52 h GLY 33 CO 0.08 0.53 -0.33 -2.08 0.00 0.00 0.00 176.54 174.74 3g52 h VAL 34 N 0.34 1.28 -0.78 4.60 2.07 -1.45 -2.42 116.25 119.89 3g52 h VAL 34 Ca 0.06 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 3g52 h VAL 34 Cb 0.66 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3g52 h VAL 34 CO 0.04 0.47 0.39 0.00 0.02 0.00 0.00 177.57 178.48 3g52 h ALA 35 N 1.12 1.01 -0.18 1.67 0.00 -1.27 0.40 119.26 122.00 3g52 h ALA 35 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3g52 h ALA 35 Cb 0.82 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3g52 h ALA 35 CO 0.07 0.56 0.10 1.25 0.00 0.00 0.00 179.25 181.23 3g52 h LEU 36 N 1.10 0.22 -0.25 0.00 5.85 -0.90 -1.33 115.31 120.00 3g52 h LEU 36 Ca 0.27 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3g52 h LEU 36 Cb 0.10 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3g52 h LEU 36 CO -0.04 0.24 0.03 0.24 -0.34 0.00 0.00 178.44 178.57 3g52 h MET 37 N 0.19 0.43 -0.40 1.25 2.86 -1.16 -1.71 114.93 116.39 3g52 h MET 37 Ca 0.06 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3g52 h MET 37 Cb 0.07 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3g52 h MET 37 CO -0.01 0.57 0.11 1.79 1.06 0.00 0.00 176.91 180.44 3g52 h THR 38 N 0.23 1.17 -0.30 2.22 1.35 -0.87 -1.40 112.91 115.31 3g52 h THR 38 Ca 0.07 -0.60 -0.16 0.00 -0.55 0.00 0.00 66.41 65.18 3g52 h THR 38 Cb 0.36 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 3g52 h THR 38 CO 0.01 0.22 -0.44 0.74 -0.25 0.00 0.00 175.52 175.80 3g52 h THR 39 N 0.57 1.29 -0.60 6.82 2.02 -1.11 -1.17 112.91 120.73 3g52 h THR 39 Ca 0.13 -1.63 -0.01 0.00 0.77 0.00 0.00 66.41 65.68 3g52 h THR 39 Cb 0.19 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 3g52 h THR 39 CO -0.01 0.53 0.34 0.25 0.37 0.00 0.00 175.52 177.00 3g52 h LEU 40 N 0.61 0.74 -1.02 2.58 5.85 -0.63 -1.31 115.31 122.13 3g52 h LEU 40 Ca 0.04 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3g52 h LEU 40 Cb 1.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3g52 h LEU 40 CO 0.10 0.61 -0.45 -0.26 -0.34 0.00 0.00 178.44 178.09 3g52 h PHE 41 N 0.81 0.00 -0.00 1.25 0.04 -1.13 0.60 116.94 118.51 3g52 h PHE 41 Ca 0.21 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.76 3g52 h PHE 41 Cb 0.03 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.19 3g52 h PHE 41 CO -0.01 0.45 -0.86 0.00 -0.60 0.00 0.00 178.31 177.29 3g52 h ALA 42 N 1.55 0.11 0.00 2.45 0.00 -0.78 -3.20 119.26 119.38 3g52 h ALA 42 Ca -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3g52 h ALA 42 Cb 0.87 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3g52 h ALA 42 CO 0.06 0.55 -1.19 -0.25 0.00 0.00 0.00 179.25 178.41 3g52 n ASP 43 N -4.01 0.78 -3.27 0.00 8.00 -0.53 -4.49 116.55 113.04 3g52 n ASP 43 Ca -0.11 0.31 -0.25 0.00 0.71 0.00 0.00 54.79 55.46 3g52 n ASP 43 Cb 0.79 0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 42.32 3g52 n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3g52 n ASN 44 N -2.70 1.89 0.19 -2.24 4.13 0.20 -4.94 115.26 111.79 3g52 n ASN 44 Ca -0.03 -3.07 0.18 0.00 1.68 0.00 0.00 54.58 53.34 3g52 n ASN 44 Cb 0.63 -0.65 0.82 0.00 -1.54 0.00 0.00 39.78 39.05 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 3.94 0.00 0.00 3.52 7.50 -1.74 -1.39 115.11 126.94 3g52 h GLN 45 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 3g52 h GLN 45 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.31 3g52 h GLN 45 CO 0.63 0.00 0.00 -0.85 -1.50 0.00 0.00 178.83 177.11 3g52 n GLU 46 N -3.63 0.07 0.02 1.46 0.00 -1.26 -2.22 120.64 115.08 3g52 n GLU 46 Ca 0.03 0.38 0.12 0.00 0.00 0.00 0.00 57.16 57.68 3g52 n GLU 46 Cb 0.41 -1.65 0.14 0.00 0.00 0.00 0.00 31.44 30.34 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 -1.78 0.12 -0.30 3.84 -2.24 -0.52 -4.32 114.28 109.08 3g52 n THR 47 Ca 0.02 -0.13 0.06 0.00 -2.27 0.00 0.00 64.05 61.73 3g52 n THR 47 Cb 0.14 0.21 0.21 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.80 -0.48 2.28 2.04 -1.62 -1.98 117.51 118.56 3g52 h ILE 48 Ca 0.00 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.74 3g52 h ILE 48 Cb 0.62 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3g52 h ILE 48 CO 0.00 0.13 0.34 1.23 0.00 0.00 0.00 178.15 179.85 3g52 h GLY 49 N 0.72 0.08 2.00 5.37 0.00 -1.80 -1.39 103.07 108.04 3g52 h GLY 49 Ca 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 3g52 h GLY 49 CO -0.32 0.01 -0.10 -0.97 0.00 0.00 0.00 176.54 175.16 3g52 h TYR 50 N 0.05 0.00 -0.84 5.60 0.05 -1.65 -3.14 116.97 117.04 3g52 h TYR 50 Ca 0.23 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.51 3g52 h TYR 50 Cb 0.84 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.31 3g52 h TYR 50 CO -0.00 0.10 0.44 1.19 -1.05 0.00 0.00 178.16 178.84 3g52 n PHE 51 N -3.38 2.67 0.29 4.88 3.72 -0.52 -4.69 117.46 120.43 3g52 n PHE 51 Ca -0.01 -2.18 0.15 0.00 -0.05 0.00 0.00 57.45 55.36 3g52 n PHE 51 Cb 0.28 -0.95 0.92 0.00 -0.94 0.00 0.00 39.48 38.78 3g52 n PHE 51 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3g52 h LYS 52 N 1.39 0.00 0.00 -1.08 2.10 -1.67 -1.40 116.57 115.92 3g52 h LYS 52 Ca 0.52 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.13 3g52 h LYS 52 Cb 1.90 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.22 3g52 h LYS 52 CO 1.07 0.00 -0.20 -0.09 -2.00 0.00 0.00 179.45 178.23 3g52 h ARG 53 N 0.00 0.00 0.00 0.07 2.43 -1.90 -2.45 114.38 112.52 3g52 h ARG 53 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3g52 h ARG 53 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3g52 h ARG 53 CO -0.00 0.20 0.00 1.28 -1.51 0.00 0.00 179.97 179.94 3g52 n LEU 54 N -3.97 0.00 0.00 3.80 4.77 -0.53 -5.02 117.00 116.06 3g52 n LEU 54 Ca -0.02 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3g52 n LEU 54 Cb 0.28 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3g52 n LEU 54 CO 0.34 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3g52 n GLY 55 N 1.12 0.10 3.55 -0.72 0.00 -0.93 -4.42 105.19 103.90 3g52 n GLY 55 Ca 0.10 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 6.20 0.00 1.61 -1.08 -1.26 -4.84 116.67 113.30 3g52 s ASP 56 Ca 0.00 -0.70 0.16 0.00 -0.52 0.00 0.00 52.55 51.50 3g52 s ASP 56 Cb 0.00 -2.56 0.82 0.00 -1.46 0.00 0.00 42.92 39.71 3g52 s ASP 56 CO 0.00 -1.78 1.48 1.33 0.52 0.00 0.00 175.17 176.72 3g52 n VAL 57 N 6.57 0.56 1.01 1.11 0.24 -1.26 -2.20 118.33 124.36 3g52 n VAL 57 Ca 0.12 0.14 0.14 0.00 -2.04 0.00 0.00 64.34 62.70 3g52 n VAL 57 Cb 0.50 -0.87 0.61 0.00 -1.47 0.00 0.00 33.84 32.61 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 -1.31 0.00 0.04 -1.34 3.41 -1.26 -2.94 113.62 110.23 3g52 n SER 58 Ca 0.07 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 3g52 n SER 58 Cb 0.14 -0.47 0.49 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.47 0.09 0.00 4.33 1.13 -0.94 -4.97 117.38 115.54 3g52 n GLN 59 Ca 0.08 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 3g52 n GLN 59 Cb 0.31 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.05 3g52 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g52 n GLY 60 N 1.00 2.96 0.43 1.08 0.00 -1.15 -2.44 105.19 107.07 3g52 n GLY 60 Ca 0.05 -0.19 0.24 0.00 0.00 0.00 0.00 46.02 46.12 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 0.19 0.00 1.61 1.85 -1.93 -0.79 114.93 115.87 3g52 h MET 61 Ca 0.00 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 3g52 h MET 61 Cb 0.00 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 3g52 h MET 61 CO 0.00 0.13 -0.27 0.00 -0.40 0.00 0.00 176.91 176.37 3g52 h ALA 62 N 1.59 1.39 -1.74 0.39 0.00 -1.90 -3.41 119.26 115.57 3g52 h ALA 62 Ca 0.45 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 54.56 3g52 h ALA 62 Cb 1.45 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 3g52 h ALA 62 CO -0.10 0.33 1.10 1.21 0.00 0.00 0.00 179.25 181.80 3g52 s ASN 63 N -6.71 6.22 0.27 0.00 3.84 -0.30 -4.89 114.94 113.36 3g52 s ASN 63 Ca -0.03 0.73 -0.04 0.00 0.21 0.00 0.00 52.86 53.74 3g52 s ASN 63 Cb 0.14 -2.54 0.34 0.00 -0.55 0.00 0.00 41.25 38.64 3g52 s ASN 63 CO 0.68 -1.55 1.90 -2.24 -2.79 0.00 0.00 177.10 173.10 3g52 h ASP 64 N 11.10 0.99 -0.47 -4.21 2.03 -1.85 -0.50 116.42 123.51 3g52 h ASP 64 Ca -0.28 -0.08 -0.10 0.00 -0.73 0.00 0.00 57.03 55.84 3g52 h ASP 64 Cb 1.11 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 39.34 3g52 h ASP 64 CO 1.11 0.79 -0.09 0.11 -1.03 0.00 0.00 179.24 180.12 3g52 h LYS 65 N 1.12 0.94 -0.38 4.15 1.57 -1.90 -0.07 116.57 122.00 3g52 h LYS 65 Ca 0.29 -0.33 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 3g52 h LYS 65 Cb 0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3g52 h LYS 65 CO -0.05 0.99 -0.36 1.25 -0.57 0.00 0.00 179.45 180.71 3g52 h LEU 66 N 0.84 0.96 -0.37 2.94 5.85 -1.68 -1.62 115.31 122.23 3g52 h LEU 66 Ca 0.14 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 3g52 h LEU 66 Cb 0.63 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3g52 h LEU 66 CO 0.04 1.21 0.09 -0.09 -0.34 0.00 0.00 178.44 179.35 3g52 h ARG 67 N 0.75 0.59 -0.83 1.25 2.43 -0.88 0.48 114.38 118.17 3g52 h ARG 67 Ca 0.07 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3g52 h ARG 67 Cb 0.94 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 3g52 h ARG 67 CO 0.09 0.63 0.41 0.78 -1.51 0.00 0.00 179.97 180.37 3g52 h GLY 68 N 0.45 1.26 0.83 2.80 0.00 -0.94 -1.23 103.07 106.24 3g52 h GLY 68 Ca 0.12 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 3g52 h GLY 68 CO 0.00 0.59 0.01 0.84 0.00 0.00 0.00 176.54 177.98 3g52 h HIS 69 N 1.17 0.39 -0.68 5.60 -0.00 -1.06 -2.50 115.15 118.06 3g52 h HIS 69 Ca 0.29 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 3g52 h HIS 69 Cb 0.10 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 3g52 h HIS 69 CO 0.01 0.54 0.37 0.77 -0.00 0.00 0.00 177.93 179.62 3g52 h SER 70 N 0.13 0.86 -0.27 3.26 0.02 -0.66 -0.01 113.55 116.87 3g52 h SER 70 Ca 0.06 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3g52 h SER 70 Cb 0.38 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3g52 h SER 70 CO 0.01 0.71 0.05 0.40 -1.14 0.00 0.00 176.83 176.86 3g52 h ILE 71 N 0.94 1.22 -0.60 3.27 2.04 -1.25 -2.76 117.51 120.38 3g52 h ILE 71 Ca 0.24 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3g52 h ILE 71 Cb 0.04 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3g52 h ILE 71 CO -0.04 0.24 0.32 0.74 0.00 0.00 0.00 178.15 179.42 3g52 h THR 72 N 0.27 1.18 -0.84 -0.27 2.02 -1.18 -1.82 112.91 112.27 3g52 h THR 72 Ca 0.08 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3g52 h THR 72 Cb 0.32 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 3g52 h THR 72 CO 0.00 0.20 0.52 0.25 0.37 0.00 0.00 175.52 176.87 3g52 h LEU 73 N 0.83 1.00 -1.66 2.58 6.46 -0.77 -1.61 115.31 122.13 3g52 h LEU 73 Ca 0.21 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 3g52 h LEU 73 Cb 0.03 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 3g52 h LEU 73 CO -0.03 0.76 -0.18 0.24 -0.62 0.00 0.00 178.44 178.61 3g52 h MET 74 N 1.16 0.00 0.00 1.25 2.86 -1.06 -1.73 114.93 117.42 3g52 h MET 74 Ca 0.30 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 3g52 h MET 74 Cb -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 3g52 h MET 74 CO -0.06 0.18 -0.08 1.88 1.06 0.00 0.00 176.91 179.90 3g52 h TYR 75 N 0.00 0.00 -0.26 -0.22 0.05 -1.13 -0.43 116.97 114.98 3g52 h TYR 75 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 3g52 h TYR 75 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 3g52 h TYR 75 CO 0.00 0.08 -0.59 0.00 -1.05 0.00 0.00 178.16 176.60 3g52 h ALA 76 N 1.92 0.46 -0.30 3.88 0.00 -1.02 -0.98 119.26 123.23 3g52 h ALA 76 Ca -0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 3g52 h ALA 76 Cb 1.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3g52 h ALA 76 CO 0.01 0.68 -0.39 -0.07 0.00 0.00 0.00 179.25 179.48 3g52 h LEU 77 N 0.63 0.75 -0.91 0.00 3.38 -1.26 -2.04 115.31 115.86 3g52 h LEU 77 Ca 0.00 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3g52 h LEU 77 Cb 1.19 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 3g52 h LEU 77 CO 0.13 1.06 0.60 -0.61 0.09 0.00 0.00 178.44 179.71 3g52 h GLN 78 N 0.58 1.18 0.18 1.13 5.75 -0.90 -0.94 115.11 122.09 3g52 h GLN 78 Ca 0.05 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3g52 h GLN 78 Cb 0.93 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 3g52 h GLN 78 CO 0.08 0.78 -0.14 -0.97 -2.65 0.00 0.00 178.83 175.94 3g52 h ASN 79 N 1.22 -0.36 -0.29 -0.69 -0.73 -0.86 -1.13 115.58 112.74 3g52 h ASN 79 Ca 0.34 0.03 0.05 0.00 1.87 0.00 0.00 56.30 58.59 3g52 h ASN 79 Cb -0.11 0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.55 3g52 h ASN 79 CO -0.08 -0.22 0.01 -0.26 -0.37 0.00 0.00 177.43 176.51 3g52 h PHE 80 N -0.33 0.01 -0.83 0.67 0.04 -0.85 -2.28 116.94 113.37 3g52 h PHE 80 Ca -0.01 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.82 3g52 h PHE 80 Cb 0.29 0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 3g52 h PHE 80 CO -0.11 -0.04 0.53 0.82 -0.60 0.00 0.00 178.31 178.91 3g52 h ILE 81 N 0.10 1.11 0.00 -0.55 1.08 -0.97 -2.03 117.51 116.25 3g52 h ILE 81 Ca 0.14 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 3g52 h ILE 81 Cb 0.18 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.93 3g52 h ILE 81 CO -0.23 0.18 -0.10 0.44 -0.69 0.00 0.00 178.15 177.76 3g52 h ASP 82 N 1.01 0.00 -0.31 1.72 3.32 -0.69 -2.95 116.42 118.53 3g52 h ASP 82 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3g52 h ASP 82 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3g52 h ASP 82 CO -0.13 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 3g52 n GLN 83 N -3.34 2.33 -0.33 3.56 1.13 -0.78 -4.60 117.38 115.34 3g52 n GLN 83 Ca -0.01 -2.00 0.17 0.00 -1.94 0.00 0.00 57.00 53.22 3g52 n GLN 83 Cb 0.30 -1.49 0.39 0.00 0.11 0.00 0.00 30.24 29.55 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 4.02 0.66 -0.11 1.08 3.38 -1.32 -1.70 115.31 121.32 3g52 h LEU 84 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3g52 h LEU 84 Cb 0.88 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3g52 h LEU 84 CO 0.00 0.19 -0.02 0.47 0.09 0.00 0.00 178.44 179.18 3g52 n ASP 85 N -4.74 0.19 -3.63 -0.43 8.00 -1.26 -4.38 116.55 110.30 3g52 n ASP 85 Ca 0.24 -0.77 -0.29 0.00 0.71 0.00 0.00 54.79 54.67 3g52 n ASP 85 Cb 0.68 -0.08 -0.13 0.00 -0.02 0.00 0.00 41.12 41.58 3g52 n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3g52 s ASN 86 N -2.20 3.40 0.42 -2.24 3.84 -0.64 -4.99 114.94 112.53 3g52 s ASN 86 Ca 0.40 -2.54 0.22 0.00 0.21 0.00 0.00 52.86 51.15 3g52 s ASN 86 Cb 0.21 -0.84 1.19 0.00 -0.55 0.00 0.00 41.25 41.26 3g52 s ASN 86 CO 0.40 -0.27 1.78 -0.65 -2.79 0.00 0.00 177.10 175.57 3g52 h PRO 87 N 6.75 0.31 -0.44 0.43 0.11 -1.76 -0.26 132.00 137.12 3g52 h PRO 87 Ca 0.02 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3g52 h PRO 87 Cb 0.94 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3g52 h PRO 87 CO 0.42 0.20 0.26 -0.44 -0.21 0.00 0.00 178.00 178.24 3g52 h ASP 88 N 0.32 0.54 -0.22 -2.05 3.32 -1.94 0.11 116.42 116.50 3g52 h ASP 88 Ca 0.59 -0.06 -0.18 0.00 0.02 0.00 0.00 57.03 57.39 3g52 h ASP 88 Cb 1.64 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 3g52 h ASP 88 CO -0.25 0.45 -0.56 0.44 -1.72 0.00 0.00 179.24 177.60 3g52 h ASP 89 N 0.59 0.90 -0.64 6.45 3.32 -1.42 -2.79 116.42 122.83 3g52 h ASP 89 Ca 0.16 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 3g52 h ASP 89 Cb 0.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3g52 h ASP 89 CO -0.03 1.27 0.37 0.25 -1.72 0.00 0.00 179.24 179.38 3g52 h LEU 90 N 0.62 0.79 -0.35 1.55 5.85 -0.92 -2.53 115.31 120.32 3g52 h LEU 90 Ca 0.01 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3g52 h LEU 90 Cb 1.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3g52 h LEU 90 CO 0.12 0.64 0.19 0.58 -0.34 0.00 0.00 178.44 179.64 3g52 h VAL 91 N 0.87 1.13 0.00 1.05 2.07 -0.72 -0.77 116.25 119.88 3g52 h VAL 91 Ca 0.23 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 3g52 h VAL 91 Cb 0.01 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3g52 h VAL 91 CO -0.04 0.14 -0.25 0.00 0.02 0.00 0.00 177.57 177.44 3g52 h VAL 93 N 0.00 1.37 -0.54 0.00 -1.51 -1.22 -2.85 116.25 111.50 3g52 h VAL 93 Ca -0.00 -2.98 -0.07 0.00 -1.23 0.00 0.00 66.70 62.41 3g52 h VAL 93 Cb 0.56 2.86 -0.02 0.00 -2.13 0.00 0.00 31.29 32.56 3g52 h VAL 93 CO 0.03 0.86 0.06 0.58 -1.23 0.00 0.00 177.57 177.88 3g52 h VAL 94 N 0.07 1.26 -0.30 7.19 2.07 -0.82 -1.98 116.25 123.73 3g52 h VAL 94 Ca -0.17 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.28 3g52 h VAL 94 Cb 1.98 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3g52 h VAL 94 CO 0.18 0.36 -0.12 -0.33 0.02 0.00 0.00 177.57 177.68 3g52 h GLU 95 N 0.79 0.51 -0.22 1.57 5.08 -1.13 0.45 114.58 121.63 3g52 h GLU 95 Ca 0.16 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3g52 h GLU 95 Cb 0.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3g52 h GLU 95 CO 0.01 0.63 0.07 -0.22 -1.00 0.00 0.00 179.01 178.50 3g52 h LYS 96 N 0.47 0.34 0.00 2.33 3.11 -1.25 -2.34 116.57 119.24 3g52 h LYS 96 Ca 0.09 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 3g52 h LYS 96 Cb 0.49 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 3g52 h LYS 96 CO 0.03 0.43 0.00 0.35 -2.81 0.00 0.00 179.45 177.45 3g52 h PHE 97 N 0.19 0.00 0.09 1.91 3.04 -1.11 -2.82 116.94 118.24 3g52 h PHE 97 Ca 0.07 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.75 3g52 h PHE 97 Cb 0.23 0.00 0.03 0.00 2.56 0.00 0.00 35.95 38.77 3g52 h PHE 97 CO 0.00 0.00 -1.13 0.00 -2.02 0.00 0.00 178.31 175.16 3g52 h ALA 98 N 2.17 0.01 -0.99 2.41 0.00 -0.52 -3.26 119.26 119.09 3g52 h ALA 98 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 54.91 54.19 3g52 h ALA 98 Cb 0.51 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3g52 h ALA 98 CO 0.00 0.63 0.65 0.28 0.00 0.00 0.00 179.25 180.82 3g52 h VAL 99 N 0.22 1.22 -0.39 0.00 2.07 -1.17 0.19 116.25 118.40 3g52 h VAL 99 Ca -0.17 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 66.97 3g52 h VAL 99 Cb 1.82 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3g52 h VAL 99 CO 0.22 0.24 0.26 0.78 0.02 0.00 0.00 177.57 179.09 3g52 h ASN 100 N 1.30 0.23 0.38 0.57 -0.26 -1.59 -1.38 115.58 114.83 3g52 h ASN 100 Ca 0.37 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.83 3g52 h ASN 100 Cb -0.10 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.06 3g52 h ASN 100 CO -0.09 0.15 -1.86 1.41 -1.06 0.00 0.00 177.43 175.98 3g52 n HIS 101 N -4.47 0.70 -0.19 1.19 8.25 -0.49 -3.96 115.22 116.25 3g52 n HIS 101 Ca 0.05 0.25 -0.05 0.00 -0.26 0.00 0.00 57.72 57.71 3g52 n HIS 101 Cb 0.27 -1.10 0.13 0.00 1.12 0.00 0.00 29.99 30.41 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 1.24 0.00 1.59 2.04 -0.20 -1.44 117.51 120.74 3g52 h ILE 102 Ca -0.33 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 3g52 h ILE 102 Cb 1.98 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3g52 h ILE 102 CO 0.06 0.34 -0.10 0.71 0.00 0.00 0.00 178.15 179.16 3g52 h THR 103 N 0.92 0.39 -0.35 -0.27 1.35 -1.42 -1.37 112.91 112.17 3g52 h THR 103 Ca 0.20 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3g52 h THR 103 Cb 0.33 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3g52 h THR 103 CO -0.00 0.09 0.00 0.54 -0.25 0.00 0.00 175.52 175.90 3g52 n ARG 104 N -3.44 2.15 -2.79 4.72 3.00 -0.69 -4.94 116.66 114.67 3g52 n ARG 104 Ca -0.01 -1.76 -0.16 0.00 -0.01 0.00 0.00 57.85 55.91 3g52 n ARG 104 Cb 0.25 -1.44 0.03 0.00 0.00 0.00 0.00 32.46 31.30 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 0.96 -3.47 -3.17 5.56 4.76 -0.51 -4.98 118.16 117.30 3g52 n LYS 105 Ca 0.18 0.66 -0.41 0.00 -2.87 0.00 0.00 58.31 55.86 3g52 n LYS 105 Cb 0.46 -4.98 -0.07 0.00 -1.84 0.00 0.00 35.03 28.60 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 -2.99 4.97 0.78 -0.18 -1.09 -0.63 -5.03 121.20 117.03 3g52 s ILE 106 Ca 0.21 0.66 -0.12 0.00 -2.23 0.00 0.00 60.65 59.18 3g52 s ILE 106 Cb -0.09 -3.98 0.06 0.00 -1.58 0.00 0.00 42.46 36.87 3g52 s ILE 106 CO 0.26 -0.16 1.14 -0.94 -1.23 0.00 0.00 174.94 174.01 3g52 s SER 107 N 1.69 4.72 0.25 3.58 1.04 -1.26 -4.54 113.70 119.19 3g52 s SER 107 Ca 0.23 0.95 -0.05 0.00 0.48 0.00 0.00 55.95 57.55 3g52 s SER 107 Cb -0.15 -1.56 0.28 0.00 0.10 0.00 0.00 66.02 64.68 3g52 s SER 107 CO 0.12 -1.78 1.90 0.00 0.98 0.00 0.00 173.24 174.46 3g52 h ALA 108 N -0.97 1.25 -0.57 5.32 0.00 -1.87 -0.54 119.26 121.88 3g52 h ALA 108 Ca -0.46 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 3g52 h ALA 108 Cb 1.30 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3g52 h ALA 108 CO 0.64 0.65 0.12 0.00 0.00 0.00 0.00 179.25 180.66 3g52 h ALA 109 N 1.35 0.75 -0.32 0.00 0.00 -1.95 -2.06 119.26 117.04 3g52 h ALA 109 Ca 0.33 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3g52 h ALA 109 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3g52 h ALA 109 CO -0.06 0.48 -0.33 0.93 0.00 0.00 0.00 179.25 180.27 3g52 h GLU 110 N 0.83 0.69 -0.38 0.00 5.08 -1.83 -2.60 114.58 116.37 3g52 h GLU 110 Ca 0.18 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3g52 h GLU 110 Cb 0.38 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3g52 h GLU 110 CO 0.01 0.93 0.10 0.35 -1.00 0.00 0.00 179.01 179.39 3g52 h PHE 111 N 0.59 0.57 0.00 4.33 3.04 -0.91 -1.51 116.94 123.04 3g52 h PHE 111 Ca 0.06 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3g52 h PHE 111 Cb 0.85 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.18 3g52 h PHE 111 CO 0.04 0.49 0.00 0.41 -2.02 0.00 0.00 178.31 177.23 3g52 n GLY 112 N -1.05 -0.81 0.19 2.40 0.00 -0.79 -2.34 105.19 102.80 3g52 n GLY 112 Ca 0.02 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3g52 n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g52 h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.29 -2.26 116.57 116.20 3g52 h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g52 h LYS 113 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3g52 h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 3g52 h ILE 114 N 0.00 0.00 -0.63 1.86 6.09 -1.67 -3.17 117.51 120.00 3g52 h ILE 114 Ca 0.00 -0.44 -0.01 0.00 -1.37 0.00 0.00 64.86 63.04 3g52 h ILE 114 Cb 0.26 1.34 -0.03 0.00 0.47 0.00 0.00 36.82 38.86 3g52 h ILE 114 CO 0.00 0.00 0.34 0.78 -3.07 0.00 0.00 178.15 176.20 3g52 h ASN 115 N 0.00 0.78 0.54 2.19 2.35 -1.65 -1.71 115.58 118.07 3g52 h ASN 115 Ca 0.00 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3g52 h ASN 115 Cb 0.50 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.68 3g52 h ASN 115 CO 0.00 0.63 -0.26 1.23 -1.65 0.00 0.00 177.43 177.38 3g52 h GLY 116 N 0.94 -0.75 0.77 2.83 0.00 -1.77 -1.12 103.07 103.96 3g52 h GLY 116 Ca 0.22 0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.89 3g52 h GLY 116 CO -0.04 -0.27 0.56 -2.55 0.00 0.00 0.00 176.54 174.24 3g52 h PRO 117 N -0.77 1.01 -0.54 4.80 0.11 -1.70 -1.89 132.00 133.02 3g52 h PRO 117 Ca -0.07 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3g52 h PRO 117 Cb 0.57 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 3g52 h PRO 117 CO 0.12 0.67 0.35 0.82 -0.21 0.00 0.00 178.00 179.74 3g52 h ILE 118 N 1.04 1.15 -0.93 4.15 2.04 -1.19 0.24 117.51 124.01 3g52 h ILE 118 Ca 0.38 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3g52 h ILE 118 Cb 0.12 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 3g52 h ILE 118 CO -0.16 0.15 0.58 0.50 0.00 0.00 0.00 178.15 179.22 3g52 h LYS 119 N 0.73 1.24 -0.26 2.37 3.64 -0.60 -0.30 116.57 123.39 3g52 h LYS 119 Ca 0.20 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3g52 h LYS 119 Cb -0.06 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 3g52 h LYS 119 CO -0.04 0.85 -0.18 0.87 -2.27 0.00 0.00 179.45 178.68 3g52 h LYS 120 N 1.27 0.59 -0.62 1.90 1.57 -0.80 -1.45 116.57 119.03 3g52 h LYS 120 Ca 0.34 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3g52 h LYS 120 Cb -0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3g52 h LYS 120 CO -0.07 0.86 0.15 0.28 -0.57 0.00 0.00 179.45 180.10 3g52 h VAL 121 N 0.31 1.24 -0.33 0.50 2.07 -0.75 -1.45 116.25 117.84 3g52 h VAL 121 Ca 0.05 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3g52 h VAL 121 Cb 0.71 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3g52 h VAL 121 CO 0.05 0.34 0.08 -0.07 0.02 0.00 0.00 177.57 177.98 3g52 h LEU 122 N 0.93 0.51 -1.79 2.57 3.38 -0.99 -2.76 115.31 117.16 3g52 h LEU 122 Ca 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3g52 h LEU 122 Cb 0.33 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3g52 h LEU 122 CO -0.00 0.61 -0.10 0.00 0.09 0.00 0.00 178.44 179.04 3g52 h ALA 123 N 0.91 1.83 0.00 1.53 0.00 -0.92 -0.44 119.26 122.17 3g52 h ALA 123 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3g52 h ALA 123 Cb 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3g52 h ALA 123 CO 0.00 0.13 -0.06 0.66 0.00 0.00 0.00 179.25 179.99 3g52 h SER 124 N 0.00 0.00 -0.42 0.00 4.64 -0.97 -0.66 113.55 116.15 3g52 h SER 124 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g52 h SER 124 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3g52 h SER 124 CO 0.01 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 3g52 n LYS 125 N -3.34 3.18 -1.72 4.77 4.76 -0.32 -4.97 118.16 120.52 3g52 n LYS 125 Ca -0.01 -2.58 -0.10 0.00 -2.87 0.00 0.00 58.31 52.75 3g52 n LYS 125 Cb 0.21 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 31.72 3g52 n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3g52 n ASN 126 N 0.38 -3.74 -4.51 4.39 5.03 -0.25 -5.01 115.26 111.55 3g52 n ASN 126 Ca 0.19 0.12 -0.42 0.00 0.87 0.00 0.00 54.58 55.35 3g52 n ASN 126 Cb 0.73 -2.53 -0.09 0.00 -1.02 0.00 0.00 39.78 36.86 3g52 n ASN 126 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3g52 s PHE 127 N -2.42 3.20 0.00 3.10 0.08 -0.34 -4.96 117.98 116.64 3g52 s PHE 127 Ca 0.00 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 56.84 3g52 s PHE 127 Cb 0.00 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.73 3g52 s PHE 127 CO 0.00 -0.53 0.00 0.41 -0.10 0.00 0.00 175.22 175.00 3g52 n GLY 128 N 5.04 -1.36 0.37 4.36 0.00 -1.26 -3.19 105.19 109.15 3g52 n GLY 128 Ca -0.09 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.14 0.69 -0.73 1.61 3.32 -1.97 -1.57 116.42 117.63 3g52 h ASP 129 Ca 0.00 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.19 3g52 h ASP 129 Cb 0.00 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 3g52 h ASP 129 CO 0.00 0.29 0.40 0.50 -1.72 0.00 0.00 179.24 178.71 3g52 h LYS 130 N 0.70 0.69 -0.17 3.56 3.64 -1.99 0.11 116.57 123.11 3g52 h LYS 130 Ca 0.53 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.68 3g52 h LYS 130 Cb 0.89 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3g52 h LYS 130 CO -0.29 0.46 -0.63 1.88 -2.27 0.00 0.00 179.45 178.59 3g52 h TYR 131 N 0.72 0.77 -0.48 1.91 0.05 -1.63 -2.19 116.97 116.13 3g52 h TYR 131 Ca 0.34 -0.30 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 3g52 h TYR 131 Cb 0.26 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 3g52 h TYR 131 CO -0.08 1.07 0.00 0.00 -1.05 0.00 0.00 178.16 178.11 3g52 h ALA 132 N 0.86 1.11 -0.34 3.88 0.00 -0.89 -1.47 119.26 122.41 3g52 h ALA 132 Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3g52 h ALA 132 Cb 1.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3g52 h ALA 132 CO 0.12 0.57 -0.23 -0.91 0.00 0.00 0.00 179.25 178.80 3g52 h ASN 133 N 0.74 0.67 -0.40 0.00 -0.26 -0.68 -1.11 115.58 114.54 3g52 h ASN 133 Ca 0.14 -0.24 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 3g52 h ASN 133 Cb 0.44 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 3g52 h ASN 133 CO 0.02 0.89 0.09 0.00 -1.06 0.00 0.00 177.43 177.36 3g52 h ALA 134 N 1.16 0.53 -0.10 -0.83 0.00 -0.85 -2.32 119.26 116.85 3g52 h ALA 134 Ca 0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3g52 h ALA 134 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3g52 h ALA 134 CO 0.05 0.21 -0.32 -1.49 0.00 0.00 0.00 179.25 177.71 3g52 h TRP 135 N 0.50 0.21 -0.17 0.00 4.06 -1.09 -2.11 115.95 117.35 3g52 h TRP 135 Ca 0.12 -0.04 -0.06 0.00 2.06 0.00 0.00 58.89 60.97 3g52 h TRP 135 Cb 0.33 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3g52 h TRP 135 CO 0.02 0.49 -0.16 0.00 -3.56 0.00 0.00 178.44 175.23 3g52 h ALA 136 N 1.51 1.41 -0.21 1.49 0.00 -0.90 -0.38 119.26 122.19 3g52 h ALA 136 Ca 0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3g52 h ALA 136 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3g52 h ALA 136 CO 0.05 0.41 -0.40 0.87 0.00 0.00 0.00 179.25 180.18 3g52 h LYS 137 N 0.26 0.48 -0.24 0.00 1.57 -0.84 -0.58 116.57 117.22 3g52 h LYS 137 Ca 0.05 -0.24 -0.18 0.00 -1.87 0.00 0.00 60.65 58.41 3g52 h LYS 137 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3g52 h LYS 137 CO 0.03 0.80 -0.55 1.25 -0.57 0.00 0.00 179.45 180.41 3g52 h LEU 138 N 0.40 0.91 -1.46 2.94 5.85 -1.06 -2.84 115.31 120.04 3g52 h LEU 138 Ca 0.04 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 3g52 h LEU 138 Cb 0.88 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3g52 h LEU 138 CO 0.07 1.30 0.06 0.58 -0.34 0.00 0.00 178.44 180.11 3g52 h VAL 139 N 0.55 1.14 0.00 1.05 2.07 -0.94 -1.48 116.25 118.65 3g52 h VAL 139 Ca -0.00 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3g52 h VAL 139 Cb 1.16 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3g52 h VAL 139 CO 0.12 0.18 -0.14 0.00 0.02 0.00 0.00 177.57 177.75 3g52 h ALA 140 N 1.66 1.46 -0.50 1.67 0.00 -0.87 -1.13 119.26 121.56 3g52 h ALA 140 Ca 0.10 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3g52 h ALA 140 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3g52 h ALA 140 CO -0.00 0.18 -0.14 0.28 0.00 0.00 0.00 179.25 179.57 3g52 h VAL 141 N 0.00 1.27 -0.46 0.00 2.07 -1.14 -1.67 116.25 116.32 3g52 h VAL 141 Ca -0.00 -1.29 -0.13 0.00 0.82 0.00 0.00 66.70 66.10 3g52 h VAL 141 Cb 0.31 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3g52 h VAL 141 CO 0.02 0.45 -0.21 0.58 0.02 0.00 0.00 177.57 178.42 3g52 h VAL 142 N 0.84 1.27 -0.13 2.57 2.07 -1.31 -2.85 116.25 118.71 3g52 h VAL 142 Ca 0.12 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3g52 h VAL 142 Cb 0.70 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3g52 h VAL 142 CO 0.05 0.47 0.08 1.56 0.02 0.00 0.00 177.57 179.75 3g52 h GLN 143 N 0.80 0.17 0.00 1.57 4.20 -1.00 -0.62 115.11 120.23 3g52 h GLN 143 Ca 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3g52 h GLN 143 Cb 0.79 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3g52 h GLN 143 CO 0.07 0.12 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 3g52 h ALA 144 N 1.91 1.00 -0.02 3.87 0.00 -1.06 -1.83 119.26 123.13 3g52 h ALA 144 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3g52 h ALA 144 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g52 h ALA 144 CO -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.04 3g52 n ALA 145 N -2.03 2.93 0.73 0.00 0.00 -0.25 -4.56 120.51 117.34 3g52 n ALA 145 Ca -0.01 -0.66 0.09 0.00 0.00 0.00 0.00 53.44 52.86 3g52 n ALA 145 Cb 0.18 -0.81 0.07 0.00 0.00 0.00 0.00 19.45 18.89 3g52 n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78