#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dr9 h PHE 2 N 0.00 0.39 -0.45 1.61 3.57 -1.99 0.15 116.94 120.22 3dr9 h PHE 2 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3dr9 h PHE 2 Cb 0.00 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3dr9 h PHE 2 CO 0.00 0.22 0.25 -0.22 -2.23 0.00 0.00 178.31 176.34 3dr9 h LYS 3 N 0.43 0.63 -0.29 1.11 1.63 -2.00 -2.16 116.57 115.91 3dr9 h LYS 3 Ca 0.15 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.78 3dr9 h LYS 3 Cb 0.02 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 3dr9 h LYS 3 CO -0.08 0.49 -0.23 0.37 -3.45 0.00 0.00 179.45 176.55 3dr9 h GLN 4 N 0.59 0.56 -0.89 1.90 5.75 -1.96 -2.88 115.11 118.19 3dr9 h GLN 4 Ca 0.16 -0.21 0.08 0.00 -0.15 0.00 0.00 58.65 58.53 3dr9 h GLN 4 Cb 0.04 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 3dr9 h GLN 4 CO -0.03 0.75 0.58 -0.44 -2.65 0.00 0.00 178.83 177.04 3dr9 h ASP 5 N 0.49 0.85 -0.52 -0.69 3.45 -0.47 0.42 116.42 119.96 3dr9 h ASP 5 Ca 0.07 0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.58 3dr9 h ASP 5 Cb 0.67 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 39.23 3dr9 h ASP 5 CO 0.05 0.53 0.29 0.40 -1.57 0.00 0.00 179.24 178.94 3dr9 h ILE 6 N 0.96 1.01 -0.67 0.35 2.04 -1.18 -0.59 117.51 119.43 3dr9 h ILE 6 Ca 0.39 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 66.01 3dr9 h ILE 6 Cb 0.28 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3dr9 h ILE 6 CO -0.16 0.10 0.25 0.00 0.00 0.00 0.00 178.15 178.35 3dr9 h ALA 7 N 1.25 0.88 -0.15 1.87 0.00 -1.12 -0.51 119.26 121.48 3dr9 h ALA 7 Ca 0.22 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3dr9 h ALA 7 Cb 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3dr9 h ALA 7 CO -0.12 0.51 -0.05 1.15 0.00 0.00 0.00 179.25 180.74 3dr9 h THR 8 N 0.96 0.83 -0.32 0.00 2.02 -0.51 -0.65 112.91 115.24 3dr9 h THR 8 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 3dr9 h THR 8 Cb 0.23 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3dr9 h THR 8 CO -0.02 0.00 0.12 0.40 0.37 0.00 0.00 175.52 176.40 3dr9 h ILE 9 N -0.01 1.19 0.00 3.11 2.04 -1.00 -2.54 117.51 120.29 3dr9 h ILE 9 Ca 0.08 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3dr9 h ILE 9 Cb 0.13 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3dr9 h ILE 9 CO -0.16 0.20 -0.06 0.03 0.00 0.00 0.00 178.15 178.16 3dr9 h ARG 10 N 0.36 0.00 0.00 2.37 3.08 -0.79 -1.11 114.38 118.29 3dr9 h ARG 10 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3dr9 h ARG 10 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3dr9 h ARG 10 CO -0.01 0.06 0.00 0.78 -1.07 0.00 0.00 179.97 179.73 3dr9 h GLY 11 N 0.19 0.00 -5.18 0.04 0.00 -0.68 -3.30 103.07 94.14 3dr9 h GLY 11 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 3dr9 h GLY 11 CO 0.01 0.00 -0.67 1.34 0.00 0.00 0.00 176.54 177.21 3dr9 n ASP 12 N -2.59 -1.02 -0.07 0.19 4.64 -0.68 -5.04 116.55 111.98 3dr9 n ASP 12 Ca 0.02 -3.04 -0.12 0.00 -1.38 0.00 0.00 54.79 50.27 3dr9 n ASP 12 Cb 0.26 0.79 -0.05 0.00 -1.04 0.00 0.00 41.12 41.08 3dr9 n ASP 12 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 3dr9 h LEU 13 N 2.69 0.37 -1.01 -2.67 6.46 -1.32 -2.09 115.31 117.73 3dr9 h LEU 13 Ca -0.12 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.28 3dr9 h LEU 13 Cb 1.15 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 3dr9 h LEU 13 CO 0.20 0.63 0.49 -0.09 -0.62 0.00 0.00 178.44 179.05 3dr9 h ARG 14 N 0.10 1.18 0.10 1.25 2.43 -1.92 0.35 114.38 117.87 3dr9 h ARG 14 Ca 0.05 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3dr9 h ARG 14 Cb 0.46 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3dr9 h ARG 14 CO 0.02 0.84 -0.05 1.15 -1.51 0.00 0.00 179.97 180.42 3dr9 h THR 15 N 1.19 1.01 -0.63 0.20 2.02 -1.91 -0.76 112.91 114.02 3dr9 h THR 15 Ca 0.31 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3dr9 h THR 15 Cb -0.01 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3dr9 h THR 15 CO -0.05 0.10 0.35 1.88 0.37 0.00 0.00 175.52 178.17 3dr9 h TYR 16 N -0.32 0.87 -0.13 3.16 0.05 -1.13 -0.55 116.97 118.91 3dr9 h TYR 16 Ca -0.01 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.76 3dr9 h TYR 16 Cb 0.27 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 3dr9 h TYR 16 CO -0.01 0.62 0.02 0.00 -1.05 0.00 0.00 178.16 177.74 3dr9 h ALA 17 N 1.17 0.12 -0.40 3.88 0.00 -0.22 0.48 119.26 124.30 3dr9 h ALA 17 Ca 0.22 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3dr9 h ALA 17 Cb 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3dr9 h ALA 17 CO -0.04 -0.43 0.08 1.96 0.00 0.00 0.00 179.25 180.82 3dr9 h GLN 18 N 0.07 0.65 -0.66 0.00 1.08 -1.01 -0.24 115.11 115.00 3dr9 h GLN 18 Ca 0.06 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3dr9 h GLN 18 Cb 0.05 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3dr9 h GLN 18 CO -0.08 0.68 0.34 -0.44 -0.95 0.00 0.00 178.83 178.38 3dr9 h ASP 19 N 0.50 0.84 -0.22 1.46 3.32 -0.85 0.99 116.42 122.46 3dr9 h ASP 19 Ca 0.12 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 56.88 3dr9 h ASP 19 Cb 0.34 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3dr9 h ASP 19 CO 0.00 0.71 -0.56 0.40 -1.72 0.00 0.00 179.24 178.08 3dr9 h ILE 20 N 0.91 1.30 -0.26 0.35 2.04 -0.85 -1.50 117.51 119.50 3dr9 h ILE 20 Ca 0.23 -1.77 -0.13 0.00 1.00 0.00 0.00 64.86 64.19 3dr9 h ILE 20 Cb 0.08 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3dr9 h ILE 20 CO -0.03 0.56 -0.38 0.15 0.00 0.00 0.00 178.15 178.45 3dr9 h PHE 21 N 0.49 0.69 -0.72 1.37 3.57 -0.86 -0.62 116.94 120.86 3dr9 h PHE 21 Ca -0.01 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.26 3dr9 h PHE 21 Cb 1.17 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 3dr9 h PHE 21 CO 0.09 0.88 0.29 -0.07 -2.23 0.00 0.00 178.31 177.27 3dr9 h LEU 22 N 0.49 0.99 -0.84 0.59 3.38 -0.79 -0.24 115.31 118.88 3dr9 h LEU 22 Ca 0.05 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3dr9 h LEU 22 Cb 0.88 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3dr9 h LEU 22 CO 0.08 0.89 0.52 0.00 0.09 0.00 0.00 178.44 180.01 3dr9 h ALA 23 N 1.14 1.16 0.26 1.53 0.00 -0.67 0.10 119.26 122.79 3dr9 h ALA 23 Ca 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dr9 h ALA 23 Cb 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3dr9 h ALA 23 CO -0.02 0.25 -0.13 0.35 0.00 0.00 0.00 179.25 179.70 3dr9 h PHE 24 N 0.94 -0.32 -0.27 0.00 3.57 -0.69 -1.09 116.94 119.07 3dr9 h PHE 24 Ca 0.37 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.78 3dr9 h PHE 24 Cb 0.19 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3dr9 h PHE 24 CO -0.04 -0.14 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.65 3dr9 h LEU 25 N -0.43 0.48 -0.54 0.59 3.38 -0.78 -0.76 115.31 117.24 3dr9 h LEU 25 Ca -0.04 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 3dr9 h LEU 25 Cb 0.33 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3dr9 h LEU 25 CO 0.06 0.68 -0.62 0.78 0.09 0.00 0.00 178.44 179.43 3dr9 h ASN 26 N 0.44 0.44 0.04 -0.43 2.35 -0.77 -2.02 115.58 115.64 3dr9 h ASN 26 Ca 0.07 -0.26 -0.16 0.00 -0.55 0.00 0.00 56.30 55.40 3dr9 h ASN 26 Cb 0.58 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3dr9 h ASN 26 CO 0.04 0.95 -0.57 0.50 -1.65 0.00 0.00 177.43 176.71 3dr9 h LYS 27 N 0.29 0.55 -2.21 0.81 3.64 -0.91 -3.37 116.57 115.36 3dr9 h LYS 27 Ca -0.01 -0.35 -0.58 0.00 -1.27 0.00 0.00 60.65 58.44 3dr9 h LYS 27 Cb 1.15 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 32.62 3dr9 h LYS 27 CO 0.11 0.96 -0.86 0.66 -2.27 0.00 0.00 179.45 178.05 3dr9 n TYR 28 N -3.95 1.39 0.26 1.91 4.01 -0.32 -4.98 117.16 115.49 3dr9 n TYR 28 Ca -0.03 -3.82 0.15 0.00 -0.16 0.00 0.00 57.90 54.04 3dr9 n TYR 28 Cb 0.61 -0.39 0.87 0.00 -0.31 0.00 0.00 39.34 40.12 3dr9 n TYR 28 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3dr9 h PRO 29 N 4.36 0.00 0.00 -0.72 0.13 -1.54 -0.99 132.00 133.24 3dr9 h PRO 29 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3dr9 h PRO 29 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3dr9 h PRO 29 CO 0.61 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 3dr9 n ASP 30 N -3.89 0.14 0.21 1.44 10.43 -1.26 -2.09 116.55 121.52 3dr9 n ASP 30 Ca -0.01 0.53 0.15 0.00 2.57 0.00 0.00 54.79 58.02 3dr9 n ASP 30 Cb 0.16 -0.56 0.65 0.00 1.84 0.00 0.00 41.12 43.21 3dr9 n ASP 30 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3dr9 h GLU 31 N 0.00 0.00 0.00 -1.24 4.39 -1.51 -2.79 114.58 113.43 3dr9 h GLU 31 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dr9 h GLU 31 Cb 0.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3dr9 h GLU 31 CO 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.84 3dr9 h ARG 32 N 0.00 0.00 0.00 2.33 3.08 -1.62 -2.85 114.38 115.33 3dr9 h ARG 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dr9 h ARG 32 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3dr9 h ARG 32 CO 0.00 0.01 0.00 0.07 -1.07 0.00 0.00 179.97 178.98 3dr9 h ARG 33 N 0.00 0.00 0.00 0.04 0.11 -1.73 -0.91 114.38 111.89 3dr9 h ARG 33 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dr9 h ARG 33 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 3dr9 h ARG 33 CO 0.00 0.00 -0.07 0.66 0.10 0.00 0.00 179.97 180.66 3dr9 n TYR 34 N -3.01 0.65 -4.25 4.08 4.01 -1.07 -4.86 117.16 112.71 3dr9 n TYR 34 Ca -0.02 0.19 -0.23 0.00 -0.16 0.00 0.00 57.90 57.68 3dr9 n TYR 34 Cb 0.15 -0.79 -0.07 0.00 -0.31 0.00 0.00 39.34 38.32 3dr9 n TYR 34 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3dr9 s PHE 35 N -3.08 2.79 -0.18 -0.72 0.40 -0.35 -5.11 117.98 111.74 3dr9 s PHE 35 Ca 0.11 -0.19 -0.14 0.00 -0.60 0.00 0.00 56.93 56.11 3dr9 s PHE 35 Cb 0.14 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 3dr9 s PHE 35 CO 0.60 0.58 0.31 0.21 0.70 0.00 0.00 175.22 177.62 3dr9 s LYS 36 N -3.56 4.22 -1.30 0.44 2.20 -1.26 -4.48 119.74 116.01 3dr9 s LYS 36 Ca 0.31 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 3dr9 s LYS 36 Cb -0.07 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3dr9 s LYS 36 CO 0.20 0.15 0.00 -1.71 -0.36 0.00 0.00 175.35 173.64 3dr9 n ASN 37 N 3.86 -4.52 -0.00 1.43 5.15 -1.26 -4.90 115.26 115.01 3dr9 n ASN 37 Ca -0.11 0.03 -0.13 0.00 -0.60 0.00 0.00 54.58 53.76 3dr9 n ASN 37 Cb 0.52 -3.63 -0.14 0.00 -0.53 0.00 0.00 39.78 36.00 3dr9 n ASN 37 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3dr9 h TYR 38 N 0.00 0.19 -4.10 1.20 -1.99 -1.84 -3.48 116.97 106.94 3dr9 h TYR 38 Ca -0.35 -0.14 -0.53 0.00 2.00 0.00 0.00 58.73 59.72 3dr9 h TYR 38 Cb 1.23 -0.01 0.11 0.00 2.00 0.00 0.00 36.73 40.07 3dr9 h TYR 38 CO 0.40 1.28 0.47 0.54 -0.00 0.00 0.00 178.16 180.84 3dr9 s VAL 39 N -2.59 2.63 0.00 -2.88 0.11 -1.26 -3.68 120.40 112.72 3dr9 s VAL 39 Ca -0.10 0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 3dr9 s VAL 39 Cb 0.07 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 3dr9 s VAL 39 CO 0.81 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 173.10 3dr9 n GLY 40 N 0.48 0.46 3.01 6.54 0.00 -1.26 -5.03 105.19 109.38 3dr9 n GLY 40 Ca 0.14 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 3dr9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dr9 s LYS 41 N -1.58 0.73 0.93 1.61 1.02 -1.24 -5.12 119.74 116.09 3dr9 s LYS 41 Ca 0.00 -0.30 -0.12 0.00 0.02 0.00 0.00 55.97 55.57 3dr9 s LYS 41 Cb 0.00 -0.70 0.15 0.00 -0.52 0.00 0.00 37.83 36.75 3dr9 s LYS 41 CO 0.00 0.17 1.13 -1.54 -0.92 0.00 0.00 175.35 174.18 3dr9 s SER 42 N -0.12 3.34 0.21 2.83 1.04 -1.26 -4.79 113.70 114.94 3dr9 s SER 42 Ca 0.02 1.01 -0.10 0.00 0.48 0.00 0.00 55.95 57.36 3dr9 s SER 42 Cb -0.04 -1.61 0.27 0.00 0.10 0.00 0.00 66.02 64.74 3dr9 s SER 42 CO -0.00 -2.66 1.73 0.44 0.98 0.00 0.00 173.24 173.72 3dr9 h ASP 43 N -1.57 0.12 0.01 7.02 3.45 -2.00 -0.48 116.42 122.97 3dr9 h ASP 43 Ca -0.51 0.09 -0.12 0.00 0.43 0.00 0.00 57.03 56.92 3dr9 h ASP 43 Cb 1.33 0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 40.19 3dr9 h ASP 43 CO 0.61 0.08 -0.36 1.56 -1.57 0.00 0.00 179.24 179.55 3dr9 h GLN 44 N 0.33 0.47 -0.36 3.56 1.08 -1.99 -0.92 115.11 117.28 3dr9 h GLN 44 Ca 0.30 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3dr9 h GLN 44 Cb 0.40 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 3dr9 h GLN 44 CO -0.34 0.77 0.22 0.93 -0.95 0.00 0.00 178.83 179.46 3dr9 h GLU 45 N 0.40 0.49 -0.54 1.46 5.08 -1.78 -2.57 114.58 117.11 3dr9 h GLU 45 Ca 0.04 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3dr9 h GLU 45 Cb 0.82 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3dr9 h GLU 45 CO 0.07 0.36 0.35 -0.07 -1.00 0.00 0.00 179.01 178.72 3dr9 h LEU 46 N 0.47 0.59 -1.94 1.33 3.38 -0.74 -2.87 115.31 115.54 3dr9 h LEU 46 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dr9 h LEU 46 Cb -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dr9 h LEU 46 CO -0.02 0.43 0.00 0.11 0.09 0.00 0.00 178.44 179.04 3dr9 h LYS 47 N 0.71 0.00 -0.02 1.13 1.57 -0.99 -1.22 116.57 117.74 3dr9 h LYS 47 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3dr9 h LYS 47 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3dr9 h LYS 47 CO -0.06 0.00 -0.05 -1.13 -0.57 0.00 0.00 179.45 177.65 3dr9 n SER 48 N -2.98 2.25 -4.67 0.86 3.41 -0.99 -4.74 113.62 106.77 3dr9 n SER 48 Ca -0.01 -1.72 -0.43 0.00 -0.26 0.00 0.00 58.87 56.46 3dr9 n SER 48 Cb 0.20 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3dr9 n SER 48 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3dr9 s MET 49 N -2.06 4.29 0.00 4.33 0.00 -0.46 -4.94 119.30 120.47 3dr9 s MET 49 Ca 0.31 1.40 0.09 0.00 0.00 0.00 0.00 55.69 57.49 3dr9 s MET 49 Cb 0.20 -3.63 0.51 0.00 0.00 0.00 0.00 34.83 31.92 3dr9 s MET 49 CO 0.34 -0.57 1.08 0.00 0.00 0.00 0.00 175.02 175.87 3dr9 n ALA 50 N 6.04 2.23 -0.08 4.11 0.00 -1.26 -1.29 120.51 130.27 3dr9 n ALA 50 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 3dr9 n ALA 50 Cb 0.46 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.65 3dr9 n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dr9 n LYS 51 N -0.70 1.43 0.31 0.00 5.02 -1.26 -4.50 118.16 118.46 3dr9 n LYS 51 Ca 0.06 -0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 56.17 3dr9 n LYS 51 Cb 0.03 -1.40 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 3dr9 n LYS 51 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3dr9 h PHE 52 N 0.00 -0.70 -0.49 2.13 3.57 -1.44 0.62 116.94 120.63 3dr9 h PHE 52 Ca -0.41 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 3dr9 h PHE 52 Cb 1.93 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 40.88 3dr9 h PHE 52 CO 0.00 -0.44 0.19 0.78 -2.23 0.00 0.00 178.31 176.61 3dr9 h GLY 53 N -0.75 0.79 0.98 2.40 0.00 -1.82 -1.23 103.07 103.43 3dr9 h GLY 53 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3dr9 h GLY 53 CO 0.12 0.41 0.01 -1.80 0.00 0.00 0.00 176.54 175.28 3dr9 h ASP 54 N 0.65 0.01 -0.05 0.19 3.58 -1.76 -0.87 116.42 118.17 3dr9 h ASP 54 Ca 0.16 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.38 3dr9 h ASP 54 Cb 0.21 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.27 3dr9 h ASP 54 CO -0.01 0.01 -0.86 0.45 -2.88 0.00 0.00 179.24 175.95 3dr9 h HIS 55 N 0.03 1.01 -0.79 0.28 3.86 -0.84 -2.15 115.15 116.55 3dr9 h HIS 55 Ca 0.01 -0.48 -0.05 0.00 -1.16 0.00 0.00 60.37 58.69 3dr9 h HIS 55 Cb 0.01 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 3dr9 h HIS 55 CO -0.09 1.31 0.31 1.15 0.86 0.00 0.00 177.93 181.47 3dr9 h THR 56 N 0.47 1.26 -0.51 2.45 2.02 -1.22 -0.99 112.91 116.39 3dr9 h THR 56 Ca -0.08 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.30 3dr9 h THR 56 Cb 1.50 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3dr9 h THR 56 CO 0.17 0.34 0.30 -0.08 0.37 0.00 0.00 175.52 176.62 3dr9 h GLU 57 N 1.15 0.58 -0.67 6.66 4.81 -1.11 -2.13 114.58 123.86 3dr9 h GLU 57 Ca 0.26 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3dr9 h GLU 57 Cb 0.23 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3dr9 h GLU 57 CO -0.02 0.38 0.26 0.87 -0.73 0.00 0.00 179.01 179.77 3dr9 h LYS 58 N 0.59 0.99 -0.27 1.92 1.57 -0.67 0.17 116.57 120.88 3dr9 h LYS 58 Ca 0.21 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3dr9 h LYS 58 Cb 0.04 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 3dr9 h LYS 58 CO -0.10 0.81 0.04 0.28 -0.57 0.00 0.00 179.45 179.91 3dr9 h VAL 59 N 0.97 0.86 0.00 0.50 2.07 -0.90 -2.56 116.25 117.18 3dr9 h VAL 59 Ca 0.23 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.56 3dr9 h VAL 59 Cb 0.19 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3dr9 h VAL 59 CO -0.02 0.02 -0.68 -0.26 0.02 0.00 0.00 177.57 176.66 3dr9 h PHE 60 N 0.13 0.00 -0.22 1.57 0.04 -0.83 -0.01 116.94 117.62 3dr9 h PHE 60 Ca 0.12 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.94 3dr9 h PHE 60 Cb 0.14 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3dr9 h PHE 60 CO -0.17 0.68 -0.04 -0.91 -0.60 0.00 0.00 178.31 177.26 3dr9 h ASN 61 N 0.00 -0.17 -0.16 2.17 2.35 -0.52 -0.01 115.58 119.24 3dr9 h ASN 61 Ca -0.01 0.06 -0.18 0.00 -0.55 0.00 0.00 56.30 55.62 3dr9 h ASN 61 Cb 1.37 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.86 3dr9 h ASN 61 CO 0.09 -0.06 -0.57 0.25 -1.65 0.00 0.00 177.43 175.50 3dr9 h LEU 62 N 0.02 0.84 -0.77 1.61 5.85 -1.26 -2.45 115.31 119.15 3dr9 h LEU 62 Ca 0.10 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.42 3dr9 h LEU 62 Cb 0.15 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3dr9 h LEU 62 CO -0.21 1.23 0.46 -0.03 -0.34 0.00 0.00 178.44 179.55 3dr9 h MET 63 N 0.57 0.82 -0.32 1.25 4.05 -0.68 -0.08 114.93 120.54 3dr9 h MET 63 Ca 0.01 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.29 3dr9 h MET 63 Cb 1.15 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.75 3dr9 h MET 63 CO 0.12 0.55 -0.16 0.52 0.23 0.00 0.00 176.91 178.17 3dr9 h MET 64 N 0.85 0.57 -0.57 0.39 2.86 -0.89 -0.52 114.93 117.62 3dr9 h MET 64 Ca 0.34 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3dr9 h MET 64 Cb 0.17 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3dr9 h MET 64 CO -0.17 0.71 0.13 0.93 1.06 0.00 0.00 176.91 179.57 3dr9 h GLU 65 N 0.52 0.91 -0.55 1.72 5.08 -0.83 0.19 114.58 121.62 3dr9 h GLU 65 Ca 0.09 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3dr9 h GLU 65 Cb 0.57 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3dr9 h GLU 65 CO 0.04 0.85 0.15 0.28 -1.00 0.00 0.00 179.01 179.33 3dr9 h VAL 66 N 0.81 1.24 -0.75 3.13 2.07 -0.70 -0.15 116.25 121.90 3dr9 h VAL 66 Ca 0.18 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3dr9 h VAL 66 Cb 0.35 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3dr9 h VAL 66 CO 0.00 0.31 0.38 0.00 0.02 0.00 0.00 177.57 178.29 3dr9 h ALA 67 N 1.02 0.96 0.00 1.67 0.00 -0.96 -2.33 119.26 119.63 3dr9 h ALA 67 Ca 0.18 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3dr9 h ALA 67 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3dr9 h ALA 67 CO -0.00 0.51 -0.59 0.38 0.00 0.00 0.00 179.25 179.54 3dr9 h ASP 68 N 1.05 0.00 0.92 0.00 3.04 -0.52 -2.72 116.42 118.19 3dr9 h ASP 68 Ca 0.26 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.05 3dr9 h ASP 68 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 3dr9 h ASP 68 CO -0.04 0.59 -0.07 0.54 -2.04 0.00 0.00 179.24 178.22 3dr9 n ARG 69 N -3.80 0.00 -1.56 4.15 1.74 -0.11 -4.88 116.66 112.21 3dr9 n ARG 69 Ca -0.01 -0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 3dr9 n ARG 69 Cb 0.60 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.61 3dr9 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dr9 s ALA 70 N -3.00 2.39 -0.11 7.54 0.00 -0.90 -4.59 121.76 123.10 3dr9 s ALA 70 Ca 0.14 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.55 3dr9 s ALA 70 Cb 0.19 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3dr9 s ALA 70 CO 0.55 -1.46 -0.23 0.99 0.00 0.00 0.00 175.76 175.61 3dr9 s THR 71 N -2.58 2.07 -1.58 0.00 2.01 -0.91 -4.73 115.64 109.91 3dr9 s THR 71 Ca 0.64 -1.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 3dr9 s THR 71 Cb -0.19 -1.80 0.10 0.00 0.01 0.00 0.00 72.50 70.63 3dr9 s THR 71 CO 0.48 0.56 0.88 0.47 -0.69 0.00 0.00 174.62 176.31 3dr9 n ASP 72 N 3.68 -3.92 -0.93 3.53 8.00 -1.26 -0.53 116.55 125.11 3dr9 n ASP 72 Ca -0.19 -0.87 -0.12 0.00 0.71 0.00 0.00 54.79 54.31 3dr9 n ASP 72 Cb 0.53 -3.45 -0.05 0.00 -0.02 0.00 0.00 41.12 38.12 3dr9 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dr9 s VAL 74 N -2.35 4.75 0.68 0.00 1.01 0.31 -4.21 120.40 120.59 3dr9 s VAL 74 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 3dr9 s VAL 74 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3dr9 s VAL 74 CO 0.00 -0.03 1.08 -2.16 0.00 0.00 0.00 175.10 173.99 3dr9 s PRO 75 N 1.62 2.86 0.32 2.72 0.04 -1.26 -2.13 135.00 139.17 3dr9 s PRO 75 Ca 0.04 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 3dr9 s PRO 75 Cb -0.18 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 3dr9 s PRO 75 CO 0.07 -1.17 1.40 -0.51 0.04 0.00 0.00 177.00 176.83 3dr9 s LEU 76 N -5.20 4.38 0.38 -3.56 1.43 -1.26 -4.92 118.68 109.93 3dr9 s LEU 76 Ca 0.62 2.80 0.10 0.00 -1.03 0.00 0.00 54.13 56.62 3dr9 s LEU 76 Cb -0.17 -3.65 0.87 0.00 0.03 0.00 0.00 46.19 43.27 3dr9 s LEU 76 CO 0.47 -0.69 1.91 0.00 0.23 0.00 0.00 176.35 178.28 3dr9 h ALA 77 N 3.71 1.88 -0.46 4.21 0.00 -1.96 -1.93 119.26 124.70 3dr9 h ALA 77 Ca -0.49 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 3dr9 h ALA 77 Cb 1.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3dr9 h ALA 77 CO 0.68 -0.07 -0.05 0.66 0.00 0.00 0.00 179.25 180.48 3dr9 h SER 78 N 0.62 0.77 -0.46 0.00 4.64 -1.99 0.24 113.55 117.38 3dr9 h SER 78 Ca 0.38 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 3dr9 h SER 78 Cb 0.61 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3dr9 h SER 78 CO -0.14 0.87 0.07 0.44 -0.87 0.00 0.00 176.83 177.19 3dr9 h ASP 79 N 0.73 0.73 -0.61 4.97 3.45 -1.77 -1.45 116.42 122.48 3dr9 h ASP 79 Ca 0.13 -0.26 0.03 0.00 0.43 0.00 0.00 57.03 57.36 3dr9 h ASP 79 Cb 0.52 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 39.05 3dr9 h ASP 79 CO 0.03 0.81 0.37 0.00 -1.57 0.00 0.00 179.24 178.88 3dr9 h ALA 80 N 0.95 0.79 -0.25 3.45 0.00 -0.99 -2.28 119.26 120.92 3dr9 h ALA 80 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3dr9 h ALA 80 Cb 0.39 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3dr9 h ALA 80 CO 0.01 0.12 -0.11 -0.91 0.00 0.00 0.00 179.25 178.36 3dr9 h ASN 81 N 0.74 -0.38 -0.51 0.00 2.35 -0.74 -0.90 115.58 116.15 3dr9 h ASN 81 Ca 0.24 0.09 0.06 0.00 -0.55 0.00 0.00 56.30 56.15 3dr9 h ASN 81 Cb 0.01 0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 3dr9 h ASN 81 CO -0.10 -0.14 0.21 0.74 -1.65 0.00 0.00 177.43 176.49 3dr9 h THR 82 N -0.07 0.87 -0.50 2.81 2.02 -1.04 -0.33 112.91 116.67 3dr9 h THR 82 Ca 0.13 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 3dr9 h THR 82 Cb 0.27 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3dr9 h THR 82 CO -0.30 0.08 0.04 -0.07 0.37 0.00 0.00 175.52 175.64 3dr9 h LEU 83 N 0.41 0.77 -0.45 2.58 3.38 -0.91 -1.58 115.31 119.50 3dr9 h LEU 83 Ca 0.24 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3dr9 h LEU 83 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3dr9 h LEU 83 CO -0.22 0.81 -0.19 0.58 0.09 0.00 0.00 178.44 179.51 3dr9 h VAL 84 N 0.76 1.27 0.00 1.22 2.07 -0.73 -3.30 116.25 117.55 3dr9 h VAL 84 Ca 0.16 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3dr9 h VAL 84 Cb 0.40 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3dr9 h VAL 84 CO 0.01 0.46 -0.25 0.00 0.02 0.00 0.00 177.57 177.81 3dr9 n GLN 85 N -4.18 0.17 -1.70 1.57 1.13 -0.17 -4.78 117.38 109.42 3dr9 n GLN 85 Ca -0.00 0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 3dr9 n GLN 85 Cb 0.43 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 3dr9 n GLN 85 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3dr9 n MET 86 N -1.92 2.82 -0.08 -1.09 2.81 -0.62 -4.86 117.12 114.19 3dr9 n MET 86 Ca 0.05 1.02 0.10 0.00 -1.81 0.00 0.00 57.70 57.07 3dr9 n MET 86 Cb 0.40 -2.91 0.48 0.00 -0.71 0.00 0.00 33.22 30.47 3dr9 n MET 86 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3dr9 h LYS 87 N 8.13 0.44 0.00 0.03 2.10 -1.91 0.69 116.57 126.05 3dr9 h LYS 87 Ca -0.45 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3dr9 h LYS 87 Cb 1.21 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3dr9 h LYS 87 CO 0.95 0.29 0.00 1.04 -2.00 0.00 0.00 179.45 179.74 3dr9 n GLN 88 N -4.47 0.12 -0.44 0.07 6.02 -1.26 -2.09 117.38 115.33 3dr9 n GLN 88 Ca 0.09 0.42 0.08 0.00 -0.01 0.00 0.00 57.00 57.58 3dr9 n GLN 88 Cb 0.32 -1.77 0.26 0.00 1.02 0.00 0.00 30.24 30.07 3dr9 n GLN 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dr9 n HIS 89 N -2.01 1.01 0.23 1.08 8.25 0.23 -4.74 115.22 119.29 3dr9 n HIS 89 Ca 0.02 -0.71 0.08 0.00 -0.26 0.00 0.00 57.72 56.85 3dr9 n HIS 89 Cb 0.17 -0.24 0.57 0.00 1.12 0.00 0.00 29.99 31.61 3dr9 n HIS 89 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3dr9 h SER 90 N 2.48 0.00 0.11 0.41 4.64 -1.41 -2.42 113.55 117.37 3dr9 h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dr9 h SER 90 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3dr9 h SER 90 CO 0.19 0.20 -0.29 -1.20 -0.87 0.00 0.00 176.83 174.86 3dr9 n SER 91 N -3.93 1.51 -4.86 4.97 7.64 -1.26 -4.98 113.62 112.71 3dr9 n SER 91 Ca -0.02 -1.22 -0.31 0.00 1.01 0.00 0.00 58.87 58.33 3dr9 n SER 91 Cb 0.28 0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 3dr9 n SER 91 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dr9 s LEU 92 N -2.42 3.65 0.40 -3.43 1.43 -0.91 -5.10 118.68 112.30 3dr9 s LEU 92 Ca 0.24 1.38 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 3dr9 s LEU 92 Cb 0.19 -4.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.04 3dr9 s LEU 92 CO 0.51 -0.56 0.04 0.42 0.23 0.00 0.00 176.35 176.99 3dr9 s THR 93 N -2.61 1.37 0.47 5.49 -4.23 -1.26 -4.68 115.64 110.19 3dr9 s THR 93 Ca 0.55 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.33 3dr9 s THR 93 Cb -0.10 -2.68 0.30 0.00 1.34 0.00 0.00 72.50 71.36 3dr9 s THR 93 CO 0.34 0.00 2.12 0.71 -0.54 0.00 0.00 174.62 177.25 3dr9 h THR 94 N 1.80 0.61 -0.42 3.99 1.35 -1.86 -2.18 112.91 116.19 3dr9 h THR 94 Ca -0.42 -0.38 0.04 0.00 -0.55 0.00 0.00 66.41 65.10 3dr9 h THR 94 Cb 1.26 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 3dr9 h THR 94 CO 0.73 0.09 0.28 1.23 -0.25 0.00 0.00 175.52 177.59 3dr9 h GLY 95 N 0.56 0.50 1.01 5.82 0.00 -1.96 -0.82 103.07 108.17 3dr9 h GLY 95 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3dr9 h GLY 95 CO 0.01 0.15 0.50 3.43 0.00 0.00 0.00 176.54 180.63 3dr9 h ASN 96 N 0.44 0.91 -0.28 0.19 4.21 -1.80 -1.51 115.58 117.73 3dr9 h ASN 96 Ca 0.17 -0.04 -0.13 0.00 1.21 0.00 0.00 56.30 57.51 3dr9 h ASN 96 Cb 0.15 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.12 3dr9 h ASN 96 CO -0.04 0.67 -0.35 -0.26 -1.29 0.00 0.00 177.43 176.16 3dr9 h PHE 97 N 1.06 0.89 -0.47 1.19 0.04 -1.47 -2.22 116.94 115.96 3dr9 h PHE 97 Ca 0.28 -0.29 0.09 0.00 2.80 0.00 0.00 57.97 60.86 3dr9 h PHE 97 Cb -0.10 -0.18 -0.08 0.00 2.20 0.00 0.00 35.95 37.79 3dr9 h PHE 97 CO -0.02 1.05 -0.03 0.93 -0.60 0.00 0.00 178.31 179.65 3dr9 h GLU 98 N 0.47 0.08 -0.56 1.51 5.08 -1.00 -1.56 114.58 118.60 3dr9 h GLU 98 Ca 0.03 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 3dr9 h GLU 98 Cb 0.94 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3dr9 h GLU 98 CO 0.08 0.05 -0.02 0.87 -1.00 0.00 0.00 179.01 178.99 3dr9 h LYS 99 N 0.08 1.01 -0.57 2.33 1.57 -1.20 -0.82 116.57 118.98 3dr9 h LYS 99 Ca 0.23 -0.33 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3dr9 h LYS 99 Cb 0.35 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 3dr9 h LYS 99 CO -0.42 1.02 0.25 1.25 -0.57 0.00 0.00 179.45 180.98 3dr9 h LEU 100 N 0.90 0.32 -0.69 2.94 5.85 -1.00 -1.60 115.31 122.03 3dr9 h LEU 100 Ca 0.16 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.79 3dr9 h LEU 100 Cb 0.57 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3dr9 h LEU 100 CO 0.03 0.21 -0.64 -0.26 -0.34 0.00 0.00 178.44 177.44 3dr9 h PHE 101 N 0.47 0.00 -0.24 1.25 -1.00 -0.92 -0.12 116.94 116.38 3dr9 h PHE 101 Ca 0.27 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.04 3dr9 h PHE 101 Cb 0.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3dr9 h PHE 101 CO -0.13 0.64 0.14 0.28 -1.61 0.00 0.00 178.31 177.63 3dr9 h VAL 102 N 0.00 1.11 -0.62 -0.55 2.07 -0.84 -0.95 116.25 116.46 3dr9 h VAL 102 Ca -0.01 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3dr9 h VAL 102 Cb 1.16 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3dr9 h VAL 102 CO 0.08 0.11 0.18 0.00 0.02 0.00 0.00 177.57 177.96 3dr9 h ALA 103 N 1.02 0.81 -0.41 1.67 0.00 -1.03 -1.57 119.26 119.76 3dr9 h ALA 103 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dr9 h ALA 103 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dr9 h ALA 103 CO -0.01 0.50 0.22 1.25 0.00 0.00 0.00 179.25 181.20 3dr9 h LEU 104 N 0.90 0.51 -0.56 0.00 6.46 -0.88 -0.60 115.31 121.14 3dr9 h LEU 104 Ca 0.20 -0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 3dr9 h LEU 104 Cb 0.32 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 3dr9 h LEU 104 CO -0.00 0.46 0.12 0.58 -0.62 0.00 0.00 178.44 178.98 3dr9 h VAL 105 N 0.52 1.25 -0.73 1.05 2.07 -1.08 -1.37 116.25 117.96 3dr9 h VAL 105 Ca 0.14 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3dr9 h VAL 105 Cb 0.07 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3dr9 h VAL 105 CO -0.02 0.34 0.48 -0.33 0.02 0.00 0.00 177.57 178.06 3dr9 h GLU 106 N 0.80 0.95 -0.26 1.57 5.08 -1.09 -1.23 114.58 120.41 3dr9 h GLU 106 Ca 0.17 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3dr9 h GLU 106 Cb 0.37 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3dr9 h GLU 106 CO 0.01 0.63 0.13 -0.92 -1.00 0.00 0.00 179.01 177.86 3dr9 h TYR 107 N 0.98 0.25 -0.62 4.33 3.20 -0.86 -2.28 116.97 121.97 3dr9 h TYR 107 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3dr9 h TYR 107 Cb -0.10 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 3dr9 h TYR 107 CO -0.02 0.14 0.40 0.52 -1.64 0.00 0.00 178.16 177.56 3dr9 h MET 108 N 0.28 0.83 -0.17 1.82 2.86 -0.85 -1.33 114.93 118.38 3dr9 h MET 108 Ca 0.11 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3dr9 h MET 108 Cb 0.02 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3dr9 h MET 108 CO -0.07 0.57 -0.15 0.00 1.06 0.00 0.00 176.91 178.32 3dr9 h ARG 109 N 0.85 0.27 0.00 1.72 3.08 -1.03 -2.56 114.38 116.72 3dr9 h ARG 109 Ca 0.23 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3dr9 h ARG 109 Cb -0.07 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3dr9 h ARG 109 CO -0.05 0.43 -0.40 0.00 -1.07 0.00 0.00 179.97 178.88 3dr9 n ALA 110 N -2.49 2.86 -1.51 0.04 0.00 -0.88 -4.94 120.51 113.60 3dr9 n ALA 110 Ca -0.01 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.90 3dr9 n ALA 110 Cb 0.29 -1.26 0.05 0.00 0.00 0.00 0.00 19.45 18.53 3dr9 n ALA 110 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dr9 s SER 111 N -3.86 5.20 0.41 0.00 1.04 -0.54 -4.95 113.70 111.00 3dr9 s SER 111 Ca 0.09 1.87 0.22 0.00 0.48 0.00 0.00 55.95 58.61 3dr9 s SER 111 Cb 0.15 -2.53 0.65 0.00 0.10 0.00 0.00 66.02 64.38 3dr9 s SER 111 CO 0.67 -1.56 1.71 1.23 0.98 0.00 0.00 173.24 176.26 3dr9 h GLY 112 N -0.18 0.00 -3.77 7.32 0.00 -1.91 -3.45 103.07 101.08 3dr9 h GLY 112 Ca -0.46 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.38 3dr9 h GLY 112 CO 0.55 0.00 0.34 -0.86 0.00 0.00 0.00 176.54 176.57 3dr9 s GLN 113 N -3.42 4.84 -1.30 4.80 0.00 -1.26 -4.99 119.66 118.34 3dr9 s GLN 113 Ca 0.02 1.47 -0.14 0.00 -0.00 0.00 0.00 55.36 56.71 3dr9 s GLN 113 Cb 0.09 -3.28 0.12 0.00 0.00 0.00 0.00 33.01 29.94 3dr9 s GLN 113 CO 0.66 0.52 1.75 -1.13 0.00 0.00 0.00 175.29 177.10 3dr9 n SER 114 N 1.49 4.88 -4.87 12.60 3.41 -1.26 -4.94 113.62 124.93 3dr9 n SER 114 Ca -0.02 -2.96 -0.31 0.00 -0.26 0.00 0.00 58.87 55.32 3dr9 n SER 114 Cb 0.47 -1.63 -0.03 0.00 -0.26 0.00 0.00 64.21 62.77 3dr9 n SER 114 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3dr9 s PHE 115 N 2.48 3.49 -1.27 7.33 0.40 -1.26 -4.86 117.98 124.28 3dr9 s PHE 115 Ca 0.47 1.19 -0.12 0.00 -0.60 0.00 0.00 56.93 57.87 3dr9 s PHE 115 Cb 0.05 -2.58 0.15 0.00 0.51 0.00 0.00 43.02 41.15 3dr9 s PHE 115 CO 0.01 -0.27 1.72 -3.47 0.70 0.00 0.00 175.22 173.91 3dr9 n ASP 116 N -1.61 5.05 -0.18 1.36 4.64 -1.26 -4.83 116.55 119.72 3dr9 n ASP 116 Ca 0.04 -3.03 0.01 0.00 -1.38 0.00 0.00 54.79 50.43 3dr9 n ASP 116 Cb 0.54 -1.55 0.26 0.00 -1.04 0.00 0.00 41.12 39.34 3dr9 n ASP 116 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3dr9 h SER 117 N 6.43 0.80 -0.71 1.67 0.02 -1.94 -1.47 113.55 118.36 3dr9 h SER 117 Ca 0.38 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.28 3dr9 h SER 117 Cb 0.74 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 3dr9 h SER 117 CO 1.48 0.60 0.37 1.56 -1.14 0.00 0.00 176.83 179.70 3dr9 h GLN 118 N 0.93 1.02 -0.33 3.45 4.20 -1.97 -0.96 115.11 121.45 3dr9 h GLN 118 Ca 0.25 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 3dr9 h GLN 118 Cb -0.07 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3dr9 h GLN 118 CO -0.05 0.77 -0.23 0.77 -0.67 0.00 0.00 178.83 179.42 3dr9 h SER 119 N 1.02 0.66 -0.24 1.46 0.02 -1.69 -1.24 113.55 113.55 3dr9 h SER 119 Ca 0.25 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3dr9 h SER 119 Cb 0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3dr9 h SER 119 CO -0.04 0.88 -0.06 -0.50 -1.14 0.00 0.00 176.83 175.97 3dr9 h TRP 120 N 0.57 0.64 -0.13 3.45 4.06 -1.10 0.18 115.95 123.61 3dr9 h TRP 120 Ca 0.08 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3dr9 h TRP 120 Cb 0.71 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 3dr9 h TRP 120 CO 0.03 0.65 0.05 0.22 -3.56 0.00 0.00 178.44 175.83 3dr9 h ASP 121 N 0.56 0.18 -0.26 -3.49 1.82 -0.86 -0.13 116.42 114.24 3dr9 h ASP 121 Ca 0.11 -0.16 0.01 0.00 -0.39 0.00 0.00 57.03 56.60 3dr9 h ASP 121 Cb 0.45 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 3dr9 h ASP 121 CO 0.02 0.29 0.16 0.03 -1.61 0.00 0.00 179.24 178.14 3dr9 h ARG 122 N 0.06 0.33 -0.54 0.28 3.08 -0.95 -0.92 114.38 115.71 3dr9 h ARG 122 Ca 0.04 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.12 3dr9 h ARG 122 Cb 0.16 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 3dr9 h ARG 122 CO -0.00 0.22 0.28 0.35 -1.07 0.00 0.00 179.97 179.75 3dr9 h PHE 123 N 0.34 0.52 -0.59 3.04 3.04 -0.52 0.18 116.94 122.95 3dr9 h PHE 123 Ca 0.10 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3dr9 h PHE 123 Cb -0.03 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.30 3dr9 h PHE 123 CO -0.07 0.26 0.38 0.78 -2.02 0.00 0.00 178.31 177.64 3dr9 h GLY 124 N 0.55 0.83 0.98 2.40 0.00 -0.59 0.24 103.07 107.49 3dr9 h GLY 124 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3dr9 h GLY 124 CO -0.16 0.31 0.11 0.50 0.00 0.00 0.00 176.54 177.30 3dr9 h LYS 125 N 0.80 0.22 -0.32 4.80 1.57 -0.73 -1.37 116.57 121.55 3dr9 h LYS 125 Ca 0.21 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3dr9 h LYS 125 Cb -0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3dr9 h LYS 125 CO -0.05 0.17 -0.07 -0.91 -0.57 0.00 0.00 179.45 178.02 3dr9 h ASN 126 N 0.21 0.50 -0.34 0.86 2.35 -0.32 -1.09 115.58 117.75 3dr9 h ASN 126 Ca 0.06 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3dr9 h ASN 126 Cb -0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3dr9 h ASN 126 CO -0.01 0.62 -0.11 0.25 -1.65 0.00 0.00 177.43 176.52 3dr9 h LEU 127 N 0.49 0.69 -0.56 1.61 5.85 -0.32 -0.85 115.31 122.22 3dr9 h LEU 127 Ca 0.10 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3dr9 h LEU 127 Cb 0.43 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3dr9 h LEU 127 CO 0.02 0.91 0.34 0.58 -0.34 0.00 0.00 178.44 179.95 3dr9 h VAL 128 N 0.46 1.07 -0.90 1.05 2.07 -0.97 0.29 116.25 119.32 3dr9 h VAL 128 Ca 0.08 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3dr9 h VAL 128 Cb 0.63 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3dr9 h VAL 128 CO 0.04 0.12 0.58 0.28 0.02 0.00 0.00 177.57 178.62 3dr9 h SER 129 N 0.67 0.98 -0.10 0.57 0.02 -1.06 -0.80 113.55 113.84 3dr9 h SER 129 Ca 0.22 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 3dr9 h SER 129 Cb 0.01 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 3dr9 h SER 129 CO -0.09 0.69 -0.53 0.00 -1.14 0.00 0.00 176.83 175.75 3dr9 h ALA 130 N 1.36 0.63 -0.72 3.77 0.00 -0.40 0.18 119.26 124.08 3dr9 h ALA 130 Ca 0.35 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3dr9 h ALA 130 Cb -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3dr9 h ALA 130 CO -0.11 0.68 0.39 -0.07 0.00 0.00 0.00 179.25 180.15 3dr9 h LEU 131 N 0.52 0.89 -0.21 0.00 3.38 -0.05 0.11 115.31 119.95 3dr9 h LEU 131 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3dr9 h LEU 131 Cb 1.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3dr9 h LEU 131 CO 0.11 0.73 0.09 0.28 0.09 0.00 0.00 178.44 179.74 3dr9 h SER 132 N 0.99 0.29 -0.86 -0.43 0.02 -1.00 -0.37 113.55 112.18 3dr9 h SER 132 Ca 0.25 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3dr9 h SER 132 Cb 0.03 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 3dr9 h SER 132 CO -0.04 0.36 0.56 -1.28 -1.14 0.00 0.00 176.83 175.29 3dr9 h SER 133 N 0.19 0.82 0.03 3.07 0.87 -0.72 -1.36 113.55 116.46 3dr9 h SER 133 Ca 0.07 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3dr9 h SER 133 Cb 0.16 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3dr9 h SER 133 CO -0.01 0.52 -0.00 0.00 -0.53 0.00 0.00 176.83 176.81 3dr9 n ALA 134 N -2.41 2.67 0.00 6.23 0.00 0.00 -4.92 120.51 122.09 3dr9 n ALA 134 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3dr9 n ALA 134 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3dr9 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dr9 n GLY 135 N 1.04 0.99 3.75 0.00 0.00 -0.51 -4.95 105.19 105.51 3dr9 n GLY 135 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3dr9 n GLY 135 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dr9 s MET 136 N -0.83 4.53 0.00 1.61 0.00 -0.22 -4.99 119.30 119.40 3dr9 s MET 136 Ca 0.00 1.91 0.26 0.00 0.00 0.00 0.00 55.69 57.86 3dr9 s MET 136 Cb 0.00 -3.18 1.55 0.00 0.00 0.00 0.00 34.83 33.20 3dr9 s MET 136 CO 0.00 0.02 1.91 1.63 0.00 0.00 0.00 175.02 178.58