#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dw3 s ASP 2 N 0.00 4.55 -0.04 0.00 2.15 -1.26 -4.89 116.67 117.19 2dw3 s ASP 2 Ca 0.00 0.20 -0.30 0.00 0.43 0.00 0.00 52.55 52.88 2dw3 s ASP 2 Cb 0.00 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 40.00 2dw3 s ASP 2 CO 0.00 -3.10 2.03 2.29 -0.17 0.00 0.00 175.17 176.21 2dw3 n LYS 3 N 8.94 2.58 -3.22 4.34 2.85 -1.26 -1.32 118.16 131.08 2dw3 n LYS 3 Ca 0.38 0.90 -0.23 0.00 -1.05 0.00 0.00 58.31 58.31 2dw3 n LYS 3 Cb 0.49 -3.02 0.03 0.00 -0.65 0.00 0.00 35.03 31.87 2dw3 n LYS 3 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2dw3 n THR 4 N 6.03 -1.77 -2.90 0.58 -1.04 -1.26 -2.19 114.28 111.73 2dw3 n THR 4 Ca 0.23 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.08 2dw3 n THR 4 Cb 0.40 -2.97 -0.03 0.00 -1.82 0.00 0.00 70.33 65.92 2dw3 n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dw3 n ILE 5 N -4.39 0.00 -1.66 12.58 0.13 -0.43 0.57 119.36 126.17 2dw3 n ILE 5 Ca -0.07 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.49 2dw3 n ILE 5 Cb 0.59 -0.18 -0.03 0.00 -0.84 0.00 0.00 39.64 39.18 2dw3 n ILE 5 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 2dw3 n PHE 6 N -2.57 -0.87 -0.01 9.51 3.01 -0.93 -4.80 117.46 120.81 2dw3 n PHE 6 Ca 0.04 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.33 2dw3 n PHE 6 Cb 0.37 -2.20 -0.10 0.00 -0.01 0.00 0.00 39.48 37.54 2dw3 n PHE 6 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2dw3 h ASN 7 N 0.00 0.59 -3.75 4.37 4.21 -0.14 -3.50 115.58 117.37 2dw3 h ASN 7 Ca -0.20 -0.71 0.00 0.00 1.21 0.00 0.00 56.30 56.60 2dw3 h ASN 7 Cb 0.80 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 2dw3 h ASN 7 CO 0.28 1.21 -0.47 0.47 -1.29 0.00 0.00 177.43 177.63 2dw3 n ASP 8 N -4.21 -2.88 0.00 5.81 9.92 -1.26 -4.39 116.55 119.56 2dw3 n ASP 8 Ca -0.09 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 2dw3 n ASP 8 Cb 0.65 -2.57 0.00 0.00 -0.64 0.00 0.00 41.12 38.56 2dw3 n ASP 8 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2dw3 n HIS 9 N 0.43 0.00 -2.43 1.24 8.25 -1.26 -4.72 115.22 116.73 2dw3 n HIS 9 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.36 2dw3 n HIS 9 Cb 0.11 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 2dw3 n HIS 9 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2dw3 n LEU 10 N 0.00 -6.35 0.00 2.41 0.00 -1.26 -5.07 117.00 106.74 2dw3 n LEU 10 Ca 0.00 2.58 0.00 0.00 0.00 0.00 0.00 56.01 58.59 2dw3 n LEU 10 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 43.42 40.19 2dw3 n LEU 10 CO 0.00 -3.37 0.00 -0.46 0.00 0.00 0.00 177.39 173.56 2dw3 n ASN 11 N 1.75 0.00 -4.60 1.96 6.94 -1.26 -5.00 115.26 115.04 2dw3 n ASN 11 Ca -0.19 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 53.95 2dw3 n ASN 11 Cb 0.29 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.66 2dw3 n ASN 11 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2dw3 s THR 12 N 0.58 4.77 0.31 5.53 -1.32 -1.26 -4.66 115.64 119.58 2dw3 s THR 12 Ca 0.00 1.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.57 2dw3 s THR 12 Cb 0.00 -4.17 0.00 0.00 -1.51 0.00 0.00 72.50 66.82 2dw3 s THR 12 CO 0.00 -0.32 0.00 -3.20 -2.21 0.00 0.00 174.62 168.89 2dw3 n ASN 13 N 6.29 -2.81 0.26 8.08 2.85 -1.26 -4.76 115.26 123.91 2dw3 n ASN 13 Ca 0.04 0.76 0.13 0.00 -0.11 0.00 0.00 54.58 55.40 2dw3 n ASN 13 Cb 0.48 2.77 0.67 0.00 1.24 0.00 0.00 39.78 44.94 2dw3 n ASN 13 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2dw3 h PRO 14 N 0.00 0.00 0.00 1.20 0.11 -2.00 -3.06 132.00 128.25 2dw3 h PRO 14 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 2dw3 h PRO 14 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2dw3 h PRO 14 CO 0.00 0.00 -1.17 0.36 -0.21 0.00 0.00 178.00 176.98 2dw3 n LYS 15 N -2.54 0.09 0.00 1.05 0.00 -1.26 -4.92 118.16 110.57 2dw3 n LYS 15 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2dw3 n LYS 15 Cb 0.29 -0.65 0.00 0.00 -0.00 0.00 0.00 35.03 34.67 2dw3 n LYS 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2dw3 n THR 16 N -3.21 0.00 -0.15 0.58 -1.04 -1.16 0.24 114.28 109.55 2dw3 n THR 16 Ca -0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.86 2dw3 n THR 16 Cb 0.53 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.13 2dw3 n THR 16 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2dw3 h ASN 17 N 0.00 0.90 0.42 8.00 4.21 -1.94 -1.65 115.58 125.52 2dw3 h ASN 17 Ca 0.00 -0.26 -0.02 0.00 1.21 0.00 0.00 56.30 57.23 2dw3 h ASN 17 Cb 0.00 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 36.96 2dw3 h ASN 17 CO 0.00 0.99 -0.20 0.25 -1.29 0.00 0.00 177.43 177.18 2dw3 h LEU 18 N 0.83 -0.48 -0.40 1.61 6.46 0.27 0.18 115.31 123.78 2dw3 h LEU 18 Ca 0.14 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2dw3 h LEU 18 Cb 0.58 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 2dw3 h LEU 18 CO 0.04 -0.23 0.26 -0.09 -0.62 0.00 0.00 178.44 177.80 2dw3 h ARG 19 N -0.71 0.52 -0.68 1.25 9.65 -1.47 -1.11 114.38 121.82 2dw3 h ARG 19 Ca -0.06 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.75 2dw3 h ARG 19 Cb 0.51 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 2dw3 h ARG 19 CO 0.09 0.34 0.25 1.25 2.80 0.00 0.00 179.97 184.70 2dw3 h LEU 20 N 0.53 0.96 0.14 3.80 5.85 -1.27 -0.97 115.31 124.34 2dw3 h LEU 20 Ca 0.15 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2dw3 h LEU 20 Cb -0.05 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.73 2dw3 h LEU 20 CO -0.04 0.89 -0.07 -0.50 -0.34 0.00 0.00 178.44 178.38 2dw3 h TRP 21 N 0.97 -0.17 0.04 1.25 -0.00 -0.33 -0.45 115.95 117.26 2dw3 h TRP 21 Ca 0.22 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.11 2dw3 h TRP 21 Cb 0.25 0.06 0.00 0.00 -0.00 0.00 0.00 29.16 29.46 2dw3 h TRP 21 CO 0.02 0.00 -0.02 0.28 -0.00 0.00 0.00 178.44 178.72 2dw3 h VAL 22 N -0.31 0.99 0.28 1.49 2.07 -1.14 0.96 116.25 120.59 2dw3 h VAL 22 Ca -0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2dw3 h VAL 22 Cb 0.25 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2dw3 h VAL 22 CO 0.03 0.02 -0.15 0.00 0.02 0.00 0.00 177.57 177.49 2dw3 h ALA 23 N 0.88 -0.40 -0.01 1.67 0.00 -1.17 0.75 119.26 120.98 2dw3 h ALA 23 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dw3 h ALA 23 Cb 0.07 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dw3 h ALA 23 CO 0.01 -0.73 0.00 0.74 0.00 0.00 0.00 179.25 179.27 2dw3 h PHE 24 N -0.41 0.01 -0.51 0.00 0.04 -1.06 -0.20 116.94 114.81 2dw3 h PHE 24 Ca -0.03 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2dw3 h PHE 24 Cb 0.32 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 2dw3 h PHE 24 CO -0.07 0.18 0.29 0.37 -0.60 0.00 0.00 178.31 178.49 2dw3 h GLN 25 N -0.16 0.70 0.29 1.51 4.15 -0.80 0.30 115.11 121.10 2dw3 h GLN 25 Ca 0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2dw3 h GLN 25 Cb 0.18 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2dw3 h GLN 25 CO -0.00 0.53 -0.14 1.98 -1.93 0.00 0.00 178.83 179.27 2dw3 h MET 26 N 0.68 -0.37 0.36 1.69 4.05 -0.81 0.19 114.93 120.72 2dw3 h MET 26 Ca 0.18 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.61 2dw3 h MET 26 Cb 0.02 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 2dw3 h MET 26 CO -0.03 -0.06 -0.17 1.98 0.23 0.00 0.00 176.91 178.86 2dw3 h MET 27 N -0.72 -0.47 -0.48 0.39 4.05 -1.01 -2.42 114.93 114.27 2dw3 h MET 27 Ca -0.04 0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 2dw3 h MET 27 Cb 0.49 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 2dw3 h MET 27 CO 0.06 -0.31 0.06 -0.22 0.23 0.00 0.00 176.91 176.73 2dw3 h LYS 28 N -0.70 0.81 0.24 0.39 3.64 -0.56 0.25 116.57 120.64 2dw3 h LYS 28 Ca -0.05 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 2dw3 h LYS 28 Cb 0.37 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2dw3 h LYS 28 CO 0.08 0.83 -0.11 0.78 -2.27 0.00 0.00 179.45 178.76 2dw3 h GLY 29 N 0.68 -0.33 1.49 5.01 0.00 -0.35 -0.61 103.07 108.96 2dw3 h GLY 29 Ca 0.14 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 2dw3 h GLY 29 CO 0.01 -0.12 0.14 0.00 0.00 0.00 0.00 176.54 176.57 2dw3 h ALA 30 N -1.84 1.40 0.45 3.60 0.00 -1.28 -1.11 119.26 120.49 2dw3 h ALA 30 Ca -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2dw3 h ALA 30 Cb 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dw3 h ALA 30 CO 0.05 0.44 -0.22 0.78 0.00 0.00 0.00 179.25 180.30 2dw3 h GLY 31 N 0.84 -0.64 0.94 0.00 0.00 -0.50 0.33 103.07 104.04 2dw3 h GLY 31 Ca 0.15 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 2dw3 h GLY 31 CO -0.01 -0.23 -0.20 -0.25 0.00 0.00 0.00 176.54 175.85 2dw3 h TRP 32 N -0.63 -0.51 0.00 5.60 7.01 -1.13 0.70 115.95 126.99 2dw3 h TRP 32 Ca -0.06 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.93 2dw3 h TRP 32 Cb 0.47 0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 2dw3 h TRP 32 CO 0.12 -0.28 0.00 0.00 -2.79 0.00 0.00 178.44 175.49 2dw3 n ALA 33 N -2.36 -0.39 -0.32 2.65 0.00 -0.42 -0.30 120.51 119.36 2dw3 n ALA 33 Ca -0.11 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.34 2dw3 n ALA 33 Cb 0.25 0.10 0.18 0.00 0.00 0.00 0.00 19.45 19.98 2dw3 n ALA 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2dw3 h GLY 34 N 0.00 1.33 0.25 0.00 0.00 -1.03 0.13 103.07 103.75 2dw3 h GLY 34 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2dw3 h GLY 34 CO 0.00 0.41 -0.12 -1.33 0.00 0.00 0.00 176.54 175.50 2dw3 h GLY 35 N 1.18 -0.35 0.88 4.60 0.00 0.52 -1.46 103.07 108.44 2dw3 h GLY 35 Ca 0.36 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 2dw3 h GLY 35 CO -0.10 -0.13 0.07 -2.08 0.00 0.00 0.00 176.54 174.30 2dw3 h VAL 36 N -0.36 1.16 0.40 4.60 2.07 -0.68 0.94 116.25 124.38 2dw3 h VAL 36 Ca -0.03 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2dw3 h VAL 36 Cb 0.26 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2dw3 h VAL 36 CO 0.06 0.15 -0.24 -0.26 0.02 0.00 0.00 177.57 177.30 2dw3 h PHE 37 N 0.12 -0.63 -0.61 1.57 -1.00 -1.07 -0.05 116.94 115.28 2dw3 h PHE 37 Ca 0.06 -0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 2dw3 h PHE 37 Cb 0.17 0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 2dw3 h PHE 37 CO -0.01 -0.37 0.06 0.74 -1.61 0.00 0.00 178.31 177.11 2dw3 h PHE 38 N -0.61 1.10 0.87 -0.55 0.04 -1.30 -1.04 116.94 115.46 2dw3 h PHE 38 Ca -0.04 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 2dw3 h PHE 38 Cb 0.50 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.36 2dw3 h PHE 38 CO -0.09 0.95 -0.43 0.78 -0.60 0.00 0.00 178.31 178.93 2dw3 h GLY 39 N 1.02 -1.25 0.70 -1.45 0.00 -0.63 0.14 103.07 101.61 2dw3 h GLY 39 Ca 0.18 0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.99 2dw3 h GLY 39 CO 0.02 -0.45 -0.17 -0.84 0.00 0.00 0.00 176.54 175.10 2dw3 h THR 40 N -1.18 0.60 -0.14 4.70 2.02 -1.03 0.16 112.91 118.03 2dw3 h THR 40 Ca -0.12 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.11 2dw3 h THR 40 Cb 0.91 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 2dw3 h THR 40 CO 0.19 0.00 -0.26 0.25 0.37 0.00 0.00 175.52 176.08 2dw3 h LEU 41 N -0.34 -0.79 -1.35 2.58 5.85 -1.20 0.17 115.31 120.23 2dw3 h LEU 41 Ca 0.03 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2dw3 h LEU 41 Cb 0.35 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2dw3 h LEU 41 CO -0.10 -0.30 0.15 0.25 -0.34 0.00 0.00 178.44 178.10 2dw3 h LEU 42 N -0.32 0.53 0.05 2.25 5.85 -0.54 -0.72 115.31 122.42 2dw3 h LEU 42 Ca 0.10 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2dw3 h LEU 42 Cb 0.47 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2dw3 h LEU 42 CO -0.32 0.50 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.18 2dw3 h LEU 43 N 0.58 -0.06 -1.11 2.25 4.07 0.46 -1.27 115.31 120.24 2dw3 h LEU 43 Ca 0.14 -0.29 -0.03 0.00 0.08 0.00 0.00 57.88 57.78 2dw3 h LEU 43 Cb 0.14 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 2dw3 h LEU 43 CO -0.01 0.26 0.23 0.40 -1.08 0.00 0.00 178.44 178.24 2dw3 h ILE 44 N -0.39 1.21 0.49 1.22 1.08 -0.50 0.20 117.51 120.82 2dw3 h ILE 44 Ca -0.01 -0.67 -0.02 0.00 -0.39 0.00 0.00 64.86 63.77 2dw3 h ILE 44 Cb 0.35 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2dw3 h ILE 44 CO 0.01 0.27 -0.23 1.23 -0.69 0.00 0.00 178.15 178.73 2dw3 h GLY 45 N 0.97 -0.68 1.11 5.37 0.00 -1.05 0.28 103.07 109.07 2dw3 h GLY 45 Ca 0.20 0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.69 2dw3 h GLY 45 CO -0.02 -0.25 0.03 -2.75 0.00 0.00 0.00 176.54 173.55 2dw3 h PHE 46 N -0.90 1.16 -0.32 5.60 3.04 -1.17 -2.04 116.94 122.32 2dw3 h PHE 46 Ca -0.07 -0.19 -0.15 0.00 3.98 0.00 0.00 57.97 61.55 2dw3 h PHE 46 Cb 0.59 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 2dw3 h PHE 46 CO 0.00 1.01 -0.40 0.74 -2.02 0.00 0.00 178.31 177.64 2dw3 h PHE 47 N 0.99 0.91 -0.46 0.41 0.04 -0.64 -1.39 116.94 116.80 2dw3 h PHE 47 Ca 0.18 -0.27 -0.12 0.00 2.80 0.00 0.00 57.97 60.56 2dw3 h PHE 47 Cb 0.52 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2dw3 h PHE 47 CO 0.04 1.04 -0.18 0.07 -0.60 0.00 0.00 178.31 178.68 2dw3 h ARG 48 N 0.62 0.93 0.35 1.51 0.11 -0.32 1.06 114.38 118.64 2dw3 h ARG 48 Ca 0.05 -0.39 -0.02 0.00 0.10 0.00 0.00 59.98 59.73 2dw3 h ARG 48 Cb 0.95 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2dw3 h ARG 48 CO 0.09 1.05 -0.17 -0.39 0.10 0.00 0.00 179.97 180.65 2dw3 h VAL 49 N 0.77 0.29 -0.31 0.08 -1.51 -1.35 -1.05 116.25 113.15 2dw3 h VAL 49 Ca 0.11 -0.72 -0.10 0.00 -1.23 0.00 0.00 66.70 64.75 2dw3 h VAL 49 Cb 0.74 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 2dw3 h VAL 49 CO 0.06 0.07 -0.23 0.58 -1.23 0.00 0.00 177.57 176.82 2dw3 h VAL 50 N -1.04 1.27 -0.14 7.19 2.07 0.11 0.32 116.25 126.01 2dw3 h VAL 50 Ca -0.05 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.09 2dw3 h VAL 50 Cb 0.47 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2dw3 h VAL 50 CO 0.08 0.42 -0.34 1.23 0.02 0.00 0.00 177.57 178.98 2dw3 h GLY 51 N 1.00 0.32 0.00 2.17 0.00 0.11 -3.33 103.07 103.34 2dw3 h GLY 51 Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2dw3 h GLY 51 CO 0.05 0.25 -0.07 -0.09 0.00 0.00 0.00 176.54 176.69 2dw3 h ARG 52 N 0.25 0.00 0.00 4.80 9.65 -0.96 -3.49 114.38 124.63 2dw3 h ARG 52 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2dw3 h ARG 52 Cb 0.72 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 2dw3 h ARG 52 CO 0.05 0.01 0.00 -0.12 2.80 0.00 0.00 179.97 182.71 2dw3 n MET 53 N -4.76 0.00 -2.59 0.20 1.56 -0.52 -5.07 117.12 105.94 2dw3 n MET 53 Ca -0.01 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.01 2dw3 n MET 53 Cb 0.04 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.38 2dw3 n MET 53 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2dw3 s LEU 54 N -3.05 3.33 -0.20 -0.89 1.43 0.10 -4.75 118.68 114.66 2dw3 s LEU 54 Ca 0.00 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 2dw3 s LEU 54 Cb 0.00 -2.55 -0.18 0.00 0.03 0.00 0.00 46.19 43.49 2dw3 s LEU 54 CO 0.00 -1.76 0.23 1.55 0.23 0.00 0.00 176.35 176.59 2dw3 h PRO 55 N 9.95 0.00 -0.40 1.29 0.14 -1.73 0.44 132.00 141.69 2dw3 h PRO 55 Ca -0.23 0.00 -0.28 0.00 0.14 0.00 0.00 66.00 65.63 2dw3 h PRO 55 Cb 1.05 0.00 -0.22 0.00 0.14 0.00 0.00 31.00 31.97 2dw3 h PRO 55 CO 1.28 0.91 -0.62 0.44 0.14 0.00 0.00 178.00 180.16 2dw3 n ILE 56 N -4.47 0.14 0.00 -3.56 -0.00 -1.26 -4.72 119.36 105.50 2dw3 n ILE 56 Ca -0.28 -2.12 0.00 0.00 -0.00 0.00 0.00 62.75 60.35 2dw3 n ILE 56 Cb 0.63 0.95 0.00 0.00 -0.00 0.00 0.00 39.64 41.21 2dw3 n ILE 56 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2dw3 n GLN 57 N -0.12 0.00 -2.21 6.28 1.13 -1.26 -4.98 117.38 116.22 2dw3 n GLN 57 Ca 0.05 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.70 2dw3 n GLN 57 Cb 0.78 -0.05 -0.03 0.00 0.11 0.00 0.00 30.24 31.05 2dw3 n GLN 57 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2dw3 s GLU 58 N -0.01 4.42 -0.13 -1.09 2.02 -1.26 -4.96 118.70 117.69 2dw3 s GLU 58 Ca 0.00 2.10 -0.21 0.00 0.02 0.00 0.00 54.97 56.88 2dw3 s GLU 58 Cb 0.00 -3.09 -0.25 0.00 0.10 0.00 0.00 34.13 30.88 2dw3 s GLU 58 CO 0.00 -0.09 0.56 -0.91 0.02 0.00 0.00 175.26 174.84 2dw3 h ASN 59 N 3.48 0.20 -4.96 -0.19 -0.26 -1.94 -3.35 115.58 108.57 2dw3 h ASN 59 Ca -0.48 -0.81 0.00 0.00 -0.56 0.00 0.00 56.30 54.44 2dw3 h ASN 59 Cb 1.22 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 38.41 2dw3 h ASN 59 CO 0.66 1.41 -0.96 1.67 -1.06 0.00 0.00 177.43 179.15 2dw3 n GLN 60 N -4.25 -3.32 -3.39 0.81 7.27 -1.26 -4.43 117.38 108.81 2dw3 n GLN 60 Ca -0.22 2.67 -0.19 0.00 0.07 0.00 0.00 57.00 59.33 2dw3 n GLN 60 Cb 0.73 -5.04 0.06 0.00 2.41 0.00 0.00 30.24 28.40 2dw3 n GLN 60 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dw3 n ALA 61 N 0.71 -2.42 0.18 1.69 0.00 -1.26 -4.92 120.51 114.49 2dw3 n ALA 61 Ca -0.03 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.48 2dw3 n ALA 61 Cb 0.04 -4.85 0.26 0.00 0.00 0.00 0.00 19.45 14.90 2dw3 n ALA 61 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dw3 h PRO 62 N -1.39 0.00 0.11 0.00 0.13 -2.01 -3.31 132.00 125.53 2dw3 h PRO 62 Ca -0.62 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 2dw3 h PRO 62 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2dw3 h PRO 62 CO 0.46 0.41 -0.05 0.00 -0.23 0.00 0.00 178.00 178.59 2dw3 h ALA 63 N 1.59 -0.15 -0.13 -0.56 0.00 -1.97 -3.39 119.26 114.65 2dw3 h ALA 63 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2dw3 h ALA 63 Cb 1.02 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2dw3 h ALA 63 CO 0.05 -0.39 0.09 -0.35 0.00 0.00 0.00 179.25 178.65 2dw3 n PRO 64 N -4.98 0.18 -0.08 0.00 -0.04 -1.25 -4.64 135.00 124.20 2dw3 n PRO 64 Ca -0.09 -1.40 -0.11 0.00 -0.04 0.00 0.00 63.50 61.86 2dw3 n PRO 64 Cb 0.23 -3.69 -0.06 0.00 -0.04 0.00 0.00 33.50 29.94 2dw3 n PRO 64 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2dw3 h ASN 65 N 11.75 0.00 -0.65 3.54 4.21 -1.88 -3.47 115.58 129.08 2dw3 h ASN 65 Ca 0.00 -0.27 0.01 0.00 1.21 0.00 0.00 56.30 57.26 2dw3 h ASN 65 Cb 1.00 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 38.02 2dw3 h ASN 65 CO 1.01 1.03 -0.30 -0.51 -1.29 0.00 0.00 177.43 177.37 2dw3 s ILE 66 N -2.22 -0.65 0.00 2.81 2.07 -1.26 -5.15 121.20 116.80 2dw3 s ILE 66 Ca -0.19 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 2dw3 s ILE 66 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 42.46 42.62 2dw3 s ILE 66 CO 0.37 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.75 2dw3 n THR 67 N 3.98 0.00 0.00 4.00 -2.24 -1.26 -4.96 114.28 113.79 2dw3 n THR 67 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2dw3 n THR 67 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2dw3 n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dw3 n GLY 68 N 0.00 -1.26 3.33 3.38 0.00 -1.26 -5.08 105.19 104.30 2dw3 n GLY 68 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 44.04 2dw3 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dw3 n ALA 69 N -0.11 -2.95 -2.67 4.61 0.00 -1.26 -5.10 120.51 113.02 2dw3 n ALA 69 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 53.44 52.70 2dw3 n ALA 69 Cb 0.00 0.16 0.09 0.00 0.00 0.00 0.00 19.45 19.70 2dw3 n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2dw3 n LEU 70 N 0.00 -1.41 0.01 0.00 0.00 -1.26 -5.02 117.00 109.32 2dw3 n LEU 70 Ca 0.03 -2.22 0.00 0.00 0.00 0.00 0.00 56.01 53.83 2dw3 n LEU 70 Cb 0.49 0.91 0.00 0.00 0.00 0.00 0.00 43.42 44.81 2dw3 n LEU 70 CO 0.13 1.60 0.00 1.21 0.00 0.00 0.00 177.39 180.33 2dw3 n GLU 71 N 0.21 0.00 -0.73 1.96 2.13 -1.26 -5.17 120.64 117.78 2dw3 n GLU 71 Ca -0.08 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.84 2dw3 n GLU 71 Cb 0.73 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.42 2dw3 n GLU 71 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2dw3 n HIS 72 N -2.31 -2.80 0.06 4.31 8.25 -1.26 -4.29 115.22 117.18 2dw3 n HIS 72 Ca 0.00 0.91 -0.14 0.00 -0.26 0.00 0.00 57.72 58.23 2dw3 n HIS 72 Cb 0.00 -1.56 -0.06 0.00 1.12 0.00 0.00 29.99 29.49 2dw3 n HIS 72 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dw3 h HIS 73 N -0.68 0.67 -3.26 4.41 -0.00 -2.07 -3.47 115.15 110.75 2dw3 h HIS 73 Ca 0.01 -0.37 -0.41 0.00 -0.00 0.00 0.00 60.37 59.61 2dw3 h HIS 73 Cb 0.67 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 28.00 2dw3 h HIS 73 CO 0.00 1.19 -0.55 0.72 -0.00 0.00 0.00 177.93 179.30 2dw3 n HIS 74 N -3.76 -1.19 -2.12 2.45 -0.00 -1.26 -4.90 115.22 104.44 2dw3 n HIS 74 Ca -0.07 0.11 -0.43 0.00 -0.00 0.00 0.00 57.72 57.33 2dw3 n HIS 74 Cb 0.85 -4.06 -0.02 0.00 -0.00 0.00 0.00 29.99 26.75 2dw3 n HIS 74 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2dw3 s HIS 75 N -3.06 2.07 -0.20 4.41 3.76 -1.26 -4.96 115.29 116.05 2dw3 s HIS 75 Ca 0.07 0.60 -0.24 0.00 -0.15 0.00 0.00 55.06 55.34 2dw3 s HIS 75 Cb -0.03 -4.09 0.06 0.00 1.11 0.00 0.00 32.58 29.63 2dw3 s HIS 75 CO 0.08 -2.74 0.65 -1.58 -0.85 0.00 0.00 174.74 170.30 2dw3 s HIS 76 N 5.81 -0.69 -2.13 1.40 5.04 -1.26 -5.30 115.29 118.16 2dw3 s HIS 76 Ca 0.72 1.58 0.17 0.00 -1.54 0.00 0.00 55.06 55.99 2dw3 s HIS 76 Cb -0.22 0.27 0.13 0.00 0.04 0.00 0.00 32.58 32.81 2dw3 s HIS 76 CO 0.31 -0.40 1.04 0.72 -2.34 0.00 0.00 174.74 174.07