#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4o s THR 10 N 0.00 3.20 -0.45 -0.44 -4.23 -1.26 -4.99 115.64 107.47 3b4o s THR 10 Ca 0.00 -0.42 0.24 0.00 -1.18 0.00 0.00 61.69 60.33 3b4o s THR 10 Cb 0.00 -3.23 0.34 0.00 1.34 0.00 0.00 72.50 70.94 3b4o s THR 10 CO 0.00 -0.19 1.65 0.77 -0.54 0.00 0.00 174.62 176.31 3b4o h SER 11 N 0.01 0.00 0.13 3.99 4.64 -2.05 -1.49 113.55 118.79 3b4o h SER 11 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3b4o h SER 11 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3b4o h SER 11 CO 0.57 0.00 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.13 3b4o h GLU 12 N 0.00 -0.17 -0.27 4.77 3.07 -1.98 -0.89 114.58 119.10 3b4o h GLU 12 Ca 0.00 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 3b4o h GLU 12 Cb 0.93 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.87 3b4o h GLU 12 CO 0.00 0.21 -0.15 -0.91 -1.40 0.00 0.00 179.01 176.76 3b4o h ASN 13 N -0.60 0.45 -0.59 1.42 4.21 -1.97 -0.35 115.58 118.14 3b4o h ASN 13 Ca -0.02 -0.12 -0.04 0.00 1.21 0.00 0.00 56.30 57.33 3b4o h ASN 13 Cb 0.47 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.52 3b4o h ASN 13 CO 0.03 0.62 0.24 0.03 -1.29 0.00 0.00 177.43 177.06 3b4o h ARG 14 N 0.42 0.92 0.63 0.81 3.08 -1.30 -0.49 114.38 118.46 3b4o h ARG 14 Ca 0.08 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3b4o h ARG 14 Cb 0.51 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3b4o h ARG 14 CO 0.03 0.77 -0.35 0.00 -1.07 0.00 0.00 179.97 179.35 3b4o h ALA 15 N 1.35 -0.91 -0.56 0.04 0.00 0.00 -1.90 119.26 117.28 3b4o h ALA 15 Ca 0.21 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3b4o h ALA 15 Cb 0.20 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 3b4o h ALA 15 CO -0.02 -1.02 -0.05 1.96 0.00 0.00 0.00 179.25 180.12 3b4o h GLN 16 N -0.91 0.07 -0.74 0.00 4.20 -1.00 0.59 115.11 117.32 3b4o h GLN 16 Ca -0.08 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 3b4o h GLN 16 Cb 0.72 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 3b4o h GLN 16 CO 0.11 0.05 0.25 0.28 -0.67 0.00 0.00 178.83 178.84 3b4o h VAL 17 N 0.07 1.26 -0.00 -0.54 2.07 -1.05 0.15 116.25 118.21 3b4o h VAL 17 Ca 0.29 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3b4o h VAL 17 Cb 0.45 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3b4o h VAL 17 CO -0.52 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.42 3b4o h ALA 18 N 1.13 0.00 -0.46 1.67 0.00 -0.73 -0.76 119.26 120.11 3b4o h ALA 18 Ca 0.24 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3b4o h ALA 18 Cb 0.28 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3b4o h ALA 18 CO -0.01 -0.45 0.20 0.00 0.00 0.00 0.00 179.25 179.00 3b4o h ALA 19 N 0.89 0.57 -0.58 0.00 0.00 -0.47 0.85 119.26 120.53 3b4o h ALA 19 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3b4o h ALA 19 Cb 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3b4o h ALA 19 CO -0.00 -0.16 0.33 -0.09 0.00 0.00 0.00 179.25 179.33 3b4o h ARG 20 N 0.41 0.80 -0.33 0.00 2.43 -0.62 -0.16 114.38 116.91 3b4o h ARG 20 Ca 0.21 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3b4o h ARG 20 Cb 0.15 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3b4o h ARG 20 CO -0.17 0.59 -0.11 1.96 -1.51 0.00 0.00 179.97 180.73 3b4o h GLN 21 N 0.78 0.65 0.20 0.20 4.20 -0.15 -1.00 115.11 119.99 3b4o h GLN 21 Ca 0.21 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.66 3b4o h GLN 21 Cb 0.01 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3b4o h GLN 21 CO -0.04 0.84 -0.32 1.25 -0.67 0.00 0.00 178.83 179.89 3b4o h HIS 22 N 0.42 -0.88 -0.79 2.96 2.76 -0.66 -2.74 115.15 116.23 3b4o h HIS 22 Ca 0.08 0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.38 3b4o h HIS 22 Cb 0.62 0.36 -0.08 0.00 1.55 0.00 0.00 27.41 29.86 3b4o h HIS 22 CO 0.05 -0.44 0.40 -0.91 -1.30 0.00 0.00 177.93 175.73 3b4o h ASN 23 N -0.60 0.51 -0.84 3.26 2.35 -0.92 -1.85 115.58 117.49 3b4o h ASN 23 Ca 0.01 0.08 0.10 0.00 -0.55 0.00 0.00 56.30 55.93 3b4o h ASN 23 Cb 0.59 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 3b4o h ASN 23 CO -0.14 0.25 0.54 -0.09 -1.65 0.00 0.00 177.43 176.35 3b4o h ARG 24 N 0.63 0.77 0.00 0.81 2.43 -0.89 -0.81 114.38 117.32 3b4o h ARG 24 Ca 0.41 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.38 3b4o h ARG 24 Cb 0.50 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3b4o h ARG 24 CO -0.32 0.51 -0.71 0.87 -1.51 0.00 0.00 179.97 178.82 3b4o h LYS 25 N 0.79 0.00 -0.25 0.20 1.79 -1.07 0.77 116.57 118.80 3b4o h LYS 25 Ca 0.39 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.82 3b4o h LYS 25 Cb 0.43 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3b4o h LYS 25 CO -0.16 0.71 0.00 0.82 -1.08 0.00 0.00 179.45 179.75 3b4o h ILE 26 N 0.00 1.25 -0.50 1.86 1.08 -1.08 -0.92 117.51 119.20 3b4o h ILE 26 Ca -0.01 -0.89 0.09 0.00 -0.39 0.00 0.00 64.86 63.67 3b4o h ILE 26 Cb 1.29 1.35 -0.08 0.00 -3.07 0.00 0.00 36.82 36.31 3b4o h ILE 26 CO 0.09 0.28 0.04 0.58 -0.69 0.00 0.00 178.15 178.45 3b4o h VAL 27 N 0.21 0.65 -0.94 1.67 2.07 -1.08 -0.06 116.25 118.77 3b4o h VAL 27 Ca 0.07 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3b4o h VAL 27 Cb 0.40 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3b4o h VAL 27 CO 0.01 0.03 0.61 -0.33 0.02 0.00 0.00 177.57 177.91 3b4o h GLU 28 N 0.16 1.15 -0.13 1.57 5.08 -0.61 -0.91 114.58 120.88 3b4o h GLU 28 Ca 0.25 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3b4o h GLU 28 Cb 0.37 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3b4o h GLU 28 CO -0.39 0.76 0.00 1.96 -1.00 0.00 0.00 179.01 180.34 3b4o h GLN 29 N 1.18 0.23 -0.03 2.33 4.20 -0.64 -1.79 115.11 120.59 3b4o h GLN 29 Ca 0.37 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 59.04 3b4o h GLN 29 Cb 0.00 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3b4o h GLN 29 CO -0.12 0.47 -0.28 -0.92 -0.67 0.00 0.00 178.83 177.30 3b4o h TYR 30 N -0.03 -0.77 0.00 2.96 3.20 -0.65 -1.52 116.97 120.15 3b4o h TYR 30 Ca 0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3b4o h TYR 30 Cb 0.36 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3b4o h TYR 30 CO 0.03 -0.37 -0.11 0.52 -1.64 0.00 0.00 178.16 176.59 3b4o h MET 31 N -0.41 0.00 -0.07 1.82 2.86 -1.02 -2.43 114.93 115.68 3b4o h MET 31 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3b4o h MET 31 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3b4o h MET 31 CO -0.26 0.11 0.00 0.72 1.06 0.00 0.00 176.91 178.54 3b4o n HIS 32 N -3.99 0.07 -2.15 -0.22 8.25 -0.69 -4.65 115.22 111.84 3b4o n HIS 32 Ca -0.02 -0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 3b4o n HIS 32 Cb 0.20 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 3b4o n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3b4o s THR 33 N -1.93 3.82 0.11 1.59 2.01 -0.62 -5.00 115.64 115.63 3b4o s THR 33 Ca 0.34 0.99 0.02 0.00 0.31 0.00 0.00 61.69 63.35 3b4o s THR 33 Cb 0.20 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 3b4o s THR 33 CO 0.31 -0.09 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.96 3b4o s ARG 34 N 3.85 0.90 4.71 4.92 0.52 -1.26 -4.82 118.95 127.76 3b4o s ARG 34 Ca 0.67 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 3b4o s ARG 34 Cb -0.29 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 34.89 3b4o s ARG 34 CO 0.24 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.96 3b4o n GLY 35 N -0.09 1.71 0.31 -3.53 0.00 -1.26 -2.61 105.19 99.72 3b4o n GLY 35 Ca -0.11 -0.53 0.16 0.00 0.00 0.00 0.00 46.02 45.54 3b4o n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3b4o h GLU 36 N 0.00 0.00 -0.02 1.61 4.39 -1.99 0.44 114.58 119.01 3b4o h GLU 36 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3b4o h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3b4o h GLU 36 CO 0.00 0.00 0.10 0.00 -1.16 0.00 0.00 179.01 177.95 3b4o h ALA 37 N 1.92 1.23 0.00 3.43 0.00 -1.91 -1.48 119.26 122.45 3b4o h ALA 37 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3b4o h ALA 37 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3b4o h ALA 37 CO -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.10 3b4o h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.00 -2.40 114.38 114.06 3b4o h ARG 38 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3b4o h ARG 38 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3b4o h ARG 38 CO -0.00 0.04 0.00 -0.07 -1.07 0.00 0.00 179.97 178.87 3b4o h LEU 39 N 0.00 0.00 -3.02 3.04 3.38 -1.47 -3.12 115.31 114.12 3b4o h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3b4o h LEU 39 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3b4o h LEU 39 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 3b4o n LYS 40 N -2.97 2.27 0.24 1.13 5.02 -0.91 -4.71 118.16 118.23 3b4o n LYS 40 Ca -0.02 -2.15 0.09 0.00 -2.02 0.00 0.00 58.31 54.21 3b4o n LYS 40 Cb 0.14 -1.33 0.61 0.00 -0.02 0.00 0.00 35.03 34.43 3b4o n LYS 40 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3b4o h ARG 41 N 0.40 0.00 0.00 1.97 2.43 -1.52 -2.37 114.38 115.30 3b4o h ARG 41 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3b4o h ARG 41 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3b4o h ARG 41 CO 0.03 0.14 0.00 1.12 -1.51 0.00 0.00 179.97 179.75 3b4o h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.84 -1.59 115.15 115.99 3b4o h HIS 42 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3b4o h HIS 42 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 3b4o h HIS 42 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 3b4o h LEU 43 N 0.00 0.00 -0.02 6.12 3.38 -1.77 -2.62 115.31 120.40 3b4o h LEU 43 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3b4o h LEU 43 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3b4o h LEU 43 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3b4o n LEU 44 N -2.96 0.07 -4.88 1.67 4.77 -0.60 -4.87 117.00 110.20 3b4o n LEU 44 Ca 0.00 0.51 -0.31 0.00 -0.03 0.00 0.00 56.01 56.18 3b4o n LEU 44 Cb 0.25 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 3b4o n LEU 44 CO 0.25 -0.10 0.16 -0.36 -1.33 0.00 0.00 177.39 176.01 3b4o s PHE 45 N -3.02 3.44 0.82 -1.77 0.08 -0.99 -1.01 117.98 115.54 3b4o s PHE 45 Ca 0.12 0.75 -0.15 0.00 0.12 0.00 0.00 56.93 57.77 3b4o s PHE 45 Cb 0.16 -2.17 0.01 0.00 -0.57 0.00 0.00 43.02 40.45 3b4o s PHE 45 CO 0.46 0.30 0.61 0.25 -0.10 0.00 0.00 175.22 176.74 3b4o n THR 46 N -0.18 1.25 0.17 0.64 -2.24 -0.73 -4.75 114.28 108.43 3b4o n THR 46 Ca -0.01 -0.29 0.04 0.00 -2.27 0.00 0.00 64.05 61.52 3b4o n THR 46 Cb 0.52 -0.79 0.46 0.00 -2.10 0.00 0.00 70.33 68.43 3b4o n THR 46 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3b4o h GLU 47 N -0.86 0.13 -0.36 -0.78 4.57 -1.95 -0.45 114.58 114.87 3b4o h GLU 47 Ca -0.45 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3b4o h GLU 47 Cb 1.32 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3b4o h GLU 47 CO 0.40 0.26 0.00 -0.40 -1.18 0.00 0.00 179.01 178.10 3b4o n ASP 48 N -4.33 2.45 -4.59 1.04 3.85 -1.26 -1.53 116.55 112.18 3b4o n ASP 48 Ca -0.01 -1.91 -0.38 0.00 -0.71 0.00 0.00 54.79 51.78 3b4o n ASP 48 Cb 0.23 -0.24 0.05 0.00 -1.35 0.00 0.00 41.12 39.82 3b4o n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3b4o n GLY 49 N 1.27 -0.49 3.30 6.12 0.00 -0.18 -4.31 105.19 110.90 3b4o n GLY 49 Ca 0.17 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3b4o n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b4o s VAL 50 N -1.55 2.00 0.04 1.61 1.01 -0.23 0.11 120.40 123.39 3b4o s VAL 50 Ca 0.75 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3b4o s VAL 50 Cb -0.42 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3b4o s VAL 50 CO 0.48 0.51 0.02 -0.83 0.00 0.00 0.00 175.10 175.28 3b4o s GLY 51 N -0.73 0.28 0.00 4.51 0.00 -0.61 0.24 107.32 111.02 3b4o s GLY 51 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.05 3b4o s GLY 51 CO -0.00 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 172.83 3b4o n GLY 52 N 0.81 -0.74 3.61 0.20 0.00 -0.98 0.22 105.19 108.32 3b4o n GLY 52 Ca -0.19 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 3b4o n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3b4o s LEU 53 N 0.00 4.05 0.02 0.99 2.96 -0.91 -1.03 118.68 124.75 3b4o s LEU 53 Ca 0.00 0.05 0.22 0.00 -0.22 0.00 0.00 54.13 54.18 3b4o s LEU 53 Cb 0.00 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3b4o s LEU 53 CO 0.00 -0.03 0.96 0.79 -1.32 0.00 0.00 176.35 176.75 3b4o n TRP 54 N 4.88 0.11 -3.82 5.38 8.01 0.15 -1.45 117.44 130.70 3b4o n TRP 54 Ca -0.14 0.03 -0.35 0.00 -1.31 0.00 0.00 57.50 55.74 3b4o n TRP 54 Cb 0.52 -0.27 -0.12 0.00 -2.01 0.00 0.00 31.31 29.43 3b4o n TRP 54 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3b4o s THR 55 N -3.15 3.17 0.37 -0.99 -4.23 -1.24 -4.57 115.64 105.00 3b4o s THR 55 Ca 0.05 -2.41 0.08 0.00 -1.18 0.00 0.00 61.69 58.22 3b4o s THR 55 Cb 0.15 -3.17 -0.07 0.00 1.34 0.00 0.00 72.50 70.75 3b4o s THR 55 CO 0.83 -0.73 -0.03 0.42 -0.54 0.00 0.00 174.62 174.57 3b4o s THR 56 N 0.71 1.99 0.19 3.99 -4.23 -1.26 -4.66 115.64 112.37 3b4o s THR 56 Ca 0.11 -2.08 0.17 0.00 -1.18 0.00 0.00 61.69 58.72 3b4o s THR 56 Cb -0.22 -2.82 0.11 0.00 1.34 0.00 0.00 72.50 70.91 3b4o s THR 56 CO -0.04 -0.09 1.72 -2.24 -0.54 0.00 0.00 174.62 173.43 3b4o h ASP 57 N 1.92 0.00 1.18 3.99 3.04 -1.97 -2.96 116.42 121.62 3b4o h ASP 57 Ca -0.43 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.35 3b4o h ASP 57 Cb 1.24 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.53 3b4o h ASP 57 CO 0.75 0.41 -0.04 0.77 -2.04 0.00 0.00 179.24 179.09 3b4o h SER 58 N 0.00 0.00 0.00 4.15 4.64 -2.01 -3.46 113.55 116.86 3b4o h SER 58 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b4o h SER 58 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3b4o h SER 58 CO 0.05 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3b4o n GLY 59 N 0.25 1.15 3.51 -0.77 0.00 -1.12 -5.04 105.19 103.18 3b4o n GLY 59 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3b4o n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3b4o s GLN 60 N -0.17 1.96 0.36 1.61 -1.52 -1.26 -4.93 119.66 115.70 3b4o s GLN 60 Ca 0.00 -1.09 -0.28 0.00 -1.95 0.00 0.00 55.36 52.05 3b4o s GLN 60 Cb 0.00 -2.19 -0.12 0.00 -0.22 0.00 0.00 33.01 30.48 3b4o s GLN 60 CO 0.00 0.50 1.32 -2.30 -0.25 0.00 0.00 175.29 174.57 3b4o n PRO 61 N 0.93 2.20 -2.97 2.91 -0.02 -1.26 -4.57 135.00 132.22 3b4o n PRO 61 Ca -0.15 0.77 -0.44 0.00 -2.02 0.00 0.00 63.50 61.66 3b4o n PRO 61 Cb 0.52 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3b4o n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3b4o s ILE 62 N -1.11 4.89 0.08 4.25 1.01 -0.53 -4.99 121.20 124.80 3b4o s ILE 62 Ca 0.56 -1.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.15 3b4o s ILE 62 Cb -0.54 -4.78 -0.06 0.00 0.01 0.00 0.00 42.46 37.08 3b4o s ILE 62 CO 0.62 -1.49 0.46 0.00 0.00 0.00 0.00 174.94 174.53 3b4o s ALA 63 N 2.16 3.66 -0.23 9.38 0.00 -1.26 -2.14 121.76 133.33 3b4o s ALA 63 Ca 0.34 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3b4o s ALA 63 Cb -0.05 -2.40 0.04 0.00 0.00 0.00 0.00 23.12 20.71 3b4o s ALA 63 CO -0.07 0.50 -0.12 0.42 0.00 0.00 0.00 175.76 176.48 3b4o s ILE 64 N -1.33 2.35 -0.31 0.00 1.01 0.13 -4.98 121.20 118.08 3b4o s ILE 64 Ca 0.32 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 3b4o s ILE 64 Cb -0.15 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3b4o s ILE 64 CO 0.17 0.23 0.15 -0.13 0.00 0.00 0.00 174.94 175.36 3b4o s ARG 65 N 1.23 3.31 0.00 2.79 0.52 -1.26 -1.57 118.95 123.97 3b4o s ARG 65 Ca -0.01 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 3b4o s ARG 65 Cb -0.17 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.74 3b4o s ARG 65 CO -0.07 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.23 3b4o n GLY 66 N 4.98 2.92 0.32 -3.53 0.00 0.12 -4.59 105.19 105.41 3b4o n GLY 66 Ca -0.14 -1.51 0.01 0.00 0.00 0.00 0.00 46.02 44.38 3b4o n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3b4o h ARG 67 N 0.00 0.94 -0.40 1.61 2.43 -1.44 -0.84 114.38 116.68 3b4o h ARG 67 Ca 0.00 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 3b4o h ARG 67 Cb 0.00 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3b4o h ARG 67 CO 0.00 0.62 -0.25 1.49 -1.51 0.00 0.00 179.97 180.32 3b4o h GLU 68 N 0.97 0.87 -0.24 0.20 4.57 -1.91 -2.14 114.58 116.90 3b4o h GLU 68 Ca 0.38 -0.40 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 3b4o h GLU 68 Cb 0.19 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3b4o h GLU 68 CO -0.18 1.05 -0.20 0.87 -1.18 0.00 0.00 179.01 179.37 3b4o h LYS 69 N 0.68 0.43 -0.50 1.92 1.79 -1.71 -2.27 116.57 116.90 3b4o h LYS 69 Ca 0.08 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3b4o h LYS 69 Cb 0.82 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 3b4o h LYS 69 CO 0.07 0.61 0.30 -0.07 -1.08 0.00 0.00 179.45 179.28 3b4o h LEU 70 N 0.39 0.61 -0.99 2.94 3.38 -1.09 -1.37 115.31 119.18 3b4o h LEU 70 Ca 0.07 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3b4o h LEU 70 Cb 0.57 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3b4o h LEU 70 CO 0.04 0.49 0.65 1.23 0.09 0.00 0.00 178.44 180.94 3b4o h GLY 71 N 0.67 1.41 1.46 0.83 0.00 -1.03 -1.37 103.07 105.04 3b4o h GLY 71 Ca 0.18 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3b4o h GLY 71 CO -0.03 0.47 -0.26 0.83 0.00 0.00 0.00 176.54 177.55 3b4o h GLU 72 N 1.30 0.62 0.00 4.80 5.08 -1.15 -2.92 114.58 122.31 3b4o h GLU 72 Ca 0.38 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3b4o h GLU 72 Cb -0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3b4o h GLU 72 CO -0.10 0.82 -0.43 1.25 -1.00 0.00 0.00 179.01 179.55 3b4o h HIS 73 N 0.54 0.00 -0.41 4.33 2.76 -0.50 -3.02 115.15 118.86 3b4o h HIS 73 Ca 0.07 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3b4o h HIS 73 Cb 0.73 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 3b4o h HIS 73 CO 0.03 0.43 0.19 0.00 -1.30 0.00 0.00 177.93 177.28 3b4o h ALA 74 N 1.57 1.57 -0.36 5.26 0.00 -1.08 -0.07 119.26 126.15 3b4o h ALA 74 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3b4o h ALA 74 Cb 0.94 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3b4o h ALA 74 CO 0.06 0.35 0.18 0.28 0.00 0.00 0.00 179.25 180.12 3b4o h VAL 75 N 0.57 1.15 -0.40 0.00 2.07 -1.55 -0.98 116.25 117.10 3b4o h VAL 75 Ca 0.14 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3b4o h VAL 75 Cb 0.08 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3b4o h VAL 75 CO -0.02 0.16 0.20 -0.25 0.02 0.00 0.00 177.57 177.68 3b4o h TRP 76 N 0.44 0.57 -0.28 1.57 7.01 -1.54 -2.46 115.95 121.26 3b4o h TRP 76 Ca 0.12 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.17 3b4o h TRP 76 Cb 0.09 -0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 26.89 3b4o h TRP 76 CO -0.02 0.46 -0.25 0.77 -2.79 0.00 0.00 178.44 176.61 3b4o h SER 77 N 0.51 -0.81 -0.29 2.65 0.02 -0.88 0.18 113.55 114.92 3b4o h SER 77 Ca 0.14 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3b4o h SER 77 Cb 0.10 0.39 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3b4o h SER 77 CO -0.02 -0.28 0.18 0.25 -1.14 0.00 0.00 176.83 175.82 3b4o h LEU 78 N -0.24 0.35 -0.21 5.07 5.85 -1.05 0.13 115.31 125.22 3b4o h LEU 78 Ca 0.15 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 3b4o h LEU 78 Cb 0.47 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3b4o h LEU 78 CO -0.42 0.27 -0.28 -0.61 -0.34 0.00 0.00 178.44 177.07 3b4o h GLN 79 N 0.41 0.55 0.01 1.25 4.15 -0.93 -3.19 115.11 117.37 3b4o h GLN 79 Ca 0.11 -0.32 -0.19 0.00 0.77 0.00 0.00 58.65 59.02 3b4o h GLN 79 Cb -0.02 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3b4o h GLN 79 CO -0.02 0.92 -0.89 0.00 -1.93 0.00 0.00 178.83 176.90 3b4o n PHE 81 N -3.57 1.18 0.25 0.00 3.01 0.42 -0.21 117.46 118.53 3b4o n PHE 81 Ca -0.02 -3.79 0.11 0.00 1.01 0.00 0.00 57.45 54.76 3b4o n PHE 81 Cb 0.83 -0.35 0.62 0.00 -0.01 0.00 0.00 39.48 40.56 3b4o n PHE 81 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3b4o h PRO 82 N 4.43 0.00 0.00 -1.08 0.13 -1.71 -3.19 132.00 130.58 3b4o h PRO 82 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 3b4o h PRO 82 Cb 0.80 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 3b4o h PRO 82 CO 0.59 0.17 -0.36 -0.40 -0.23 0.00 0.00 178.00 177.77 3b4o n ASP 83 N -3.56 1.51 -4.69 1.44 5.75 -1.26 -4.87 116.55 110.87 3b4o n ASP 83 Ca -0.01 -2.91 -0.44 0.00 -0.01 0.00 0.00 54.79 51.42 3b4o n ASP 83 Cb 0.31 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 3b4o n ASP 83 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3b4o n TRP 84 N -0.80 2.46 -4.45 2.11 -0.00 -1.21 -4.77 117.44 110.78 3b4o n TRP 84 Ca 0.12 0.21 -0.20 0.00 -0.00 0.00 0.00 57.50 57.63 3b4o n TRP 84 Cb 0.73 -2.58 -0.15 0.00 -0.00 0.00 0.00 31.31 29.31 3b4o n TRP 84 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3b4o s VAL 85 N 0.85 0.84 -0.01 5.87 -7.23 -0.80 -4.65 120.40 115.26 3b4o s VAL 85 Ca 0.76 -0.46 -0.13 0.00 -1.81 0.00 0.00 61.98 60.33 3b4o s VAL 85 Cb -0.61 -0.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 3b4o s VAL 85 CO 0.38 0.23 0.36 0.26 -0.31 0.00 0.00 175.10 176.02 3b4o s TRP 86 N -0.26 3.70 0.27 2.82 0.52 -1.26 -1.84 118.94 122.88 3b4o s TRP 86 Ca 0.04 0.90 0.02 0.00 0.02 0.00 0.00 56.10 57.08 3b4o s TRP 86 Cb -0.04 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.03 3b4o s TRP 86 CO -0.00 0.65 0.23 0.95 0.02 0.00 0.00 176.95 178.80 3b4o s THR 87 N -1.10 0.00 -1.42 2.01 -4.23 -0.33 -4.90 115.64 105.67 3b4o s THR 87 Ca 0.23 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 3b4o s THR 87 Cb -0.16 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.23 3b4o s THR 87 CO 0.12 0.00 0.88 0.47 -0.54 0.00 0.00 174.62 175.56 3b4o n ASP 88 N -0.91 -3.40 -4.65 3.99 9.92 -1.26 -0.60 116.55 119.64 3b4o n ASP 88 Ca 0.04 -0.78 -0.42 0.00 -0.53 0.00 0.00 54.79 53.10 3b4o n ASP 88 Cb 0.64 -4.06 -0.04 0.00 -0.64 0.00 0.00 41.12 37.03 3b4o n ASP 88 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3b4o s ILE 89 N -3.45 4.79 -0.22 0.53 1.01 -1.26 -4.16 121.20 118.44 3b4o s ILE 89 Ca 0.38 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.77 3b4o s ILE 89 Cb -0.19 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.15 3b4o s ILE 89 CO 0.81 -0.10 -0.15 -1.10 0.00 0.00 0.00 174.94 174.41 3b4o s GLN 90 N 2.90 2.53 -0.10 2.79 -0.21 -0.25 -5.03 119.66 122.29 3b4o s GLN 90 Ca 0.38 -1.08 -0.19 0.00 0.02 0.00 0.00 55.36 54.48 3b4o s GLN 90 Cb -0.15 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 3b4o s GLN 90 CO 0.07 -0.41 0.53 0.42 -2.12 0.00 0.00 175.29 173.79 3b4o s ILE 91 N 1.21 5.14 -0.29 1.08 1.01 -1.26 -1.94 121.20 126.15 3b4o s ILE 91 Ca -0.02 1.08 -0.03 0.00 0.00 0.00 0.00 60.65 61.67 3b4o s ILE 91 Cb -0.17 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.47 3b4o s ILE 91 CO -0.09 0.32 0.01 -0.36 0.00 0.00 0.00 174.94 174.82 3b4o s PHE 92 N 0.59 3.19 0.68 3.97 0.40 0.77 -5.03 117.98 122.55 3b4o s PHE 92 Ca 0.29 -1.60 -0.12 0.00 -0.60 0.00 0.00 56.93 54.89 3b4o s PHE 92 Cb -0.16 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.24 3b4o s PHE 92 CO 0.12 -0.74 1.07 -1.21 0.70 0.00 0.00 175.22 175.16 3b4o s GLU 93 N 1.33 2.88 0.41 0.44 2.02 -1.26 -1.55 118.70 122.97 3b4o s GLU 93 Ca -0.02 1.10 0.04 0.00 0.02 0.00 0.00 54.97 56.11 3b4o s GLU 93 Cb -0.19 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 3b4o s GLU 93 CO -0.01 -1.15 0.16 0.95 0.02 0.00 0.00 175.26 175.22 3b4o s THR 94 N -2.81 0.47 0.49 3.63 -4.23 -1.23 -4.88 115.64 107.07 3b4o s THR 94 Ca 0.61 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.48 3b4o s THR 94 Cb -0.16 -2.32 0.38 0.00 1.34 0.00 0.00 72.50 71.75 3b4o s THR 94 CO 0.50 0.00 2.21 0.06 -0.54 0.00 0.00 174.62 176.84 3b4o h GLN 95 N 1.79 0.00 -5.17 3.99 -0.00 -1.98 -3.40 115.11 110.33 3b4o h GLN 95 Ca -0.33 0.00 -0.63 0.00 -0.00 0.00 0.00 58.65 57.69 3b4o h GLN 95 Cb 1.27 0.00 -0.14 0.00 -0.00 0.00 0.00 27.48 28.61 3b4o h GLN 95 CO 0.52 0.03 -0.24 0.34 -0.00 0.00 0.00 178.83 179.49 3b4o s ASP 96 N -5.66 6.26 0.30 0.06 -1.08 -1.26 -4.96 116.67 110.34 3b4o s ASP 96 Ca -0.03 0.30 0.25 0.00 -0.52 0.00 0.00 52.55 52.55 3b4o s ASP 96 Cb 0.13 -2.21 1.06 0.00 -1.46 0.00 0.00 42.92 40.44 3b4o s ASP 96 CO 0.50 -0.17 1.75 -0.65 0.52 0.00 0.00 175.17 177.12 3b4o h PRO 97 N 8.11 0.00 -0.66 4.34 0.11 -1.90 -1.61 132.00 140.39 3b4o h PRO 97 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3b4o h PRO 97 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3b4o h PRO 97 CO 0.65 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.53 3b4o n ASN 98 N -2.36 4.74 -3.86 -2.05 3.02 -1.26 -4.21 115.26 109.28 3b4o n ASN 98 Ca 0.02 -2.44 -0.23 0.00 -0.03 0.00 0.00 54.58 51.90 3b4o n ASN 98 Cb 0.23 -0.58 -0.17 0.00 -0.61 0.00 0.00 39.78 38.64 3b4o n ASN 98 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3b4o s TRP 99 N -1.85 0.95 0.12 3.10 -0.11 -0.61 -0.67 118.94 119.87 3b4o s TRP 99 Ca 0.51 -0.34 0.09 0.00 1.22 0.00 0.00 56.10 57.57 3b4o s TRP 99 Cb 0.33 -0.88 -0.04 0.00 -1.50 0.00 0.00 33.47 31.38 3b4o s TRP 99 CO 0.25 -0.32 -0.21 -0.06 -4.62 0.00 0.00 176.95 171.98 3b4o s PHE 100 N 1.47 1.88 0.09 5.86 0.40 0.41 -3.57 117.98 124.52 3b4o s PHE 100 Ca -0.02 -0.42 0.09 0.00 -0.60 0.00 0.00 56.93 55.99 3b4o s PHE 100 Cb -0.13 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 3b4o s PHE 100 CO -0.04 0.25 -0.22 -1.58 0.70 0.00 0.00 175.22 174.33 3b4o s TRP 101 N -1.27 2.43 -0.06 0.36 0.52 -0.59 -0.95 118.94 119.38 3b4o s TRP 101 Ca 0.09 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 55.91 3b4o s TRP 101 Cb -0.09 -1.35 0.01 0.00 -1.15 0.00 0.00 33.47 30.88 3b4o s TRP 101 CO 0.05 0.29 -0.12 0.08 0.02 0.00 0.00 176.95 177.27 3b4o s VAL 102 N -1.00 1.11 -0.17 4.03 1.01 -0.04 -0.16 120.40 125.18 3b4o s VAL 102 Ca 0.15 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3b4o s VAL 102 Cb -0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3b4o s VAL 102 CO 0.06 0.35 0.05 -0.70 0.00 0.00 0.00 175.10 174.86 3b4o s GLU 103 N 0.56 3.85 0.31 2.72 2.12 -0.82 0.06 118.70 127.51 3b4o s GLU 103 Ca -0.12 -0.35 -0.15 0.00 0.36 0.00 0.00 54.97 54.70 3b4o s GLU 103 Cb -0.15 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.11 3b4o s GLU 103 CO 0.03 0.33 0.65 0.00 -0.54 0.00 0.00 175.26 175.73 3b4o s ARG 105 N -3.31 3.10 -0.03 0.00 1.81 0.23 -1.01 118.95 119.75 3b4o s ARG 105 Ca 0.18 -0.93 -0.02 0.00 -1.72 0.00 0.00 55.73 53.24 3b4o s ARG 105 Cb -0.04 -2.69 0.01 0.00 -0.45 0.00 0.00 34.95 31.79 3b4o s ARG 105 CO 0.11 0.42 0.07 0.20 -0.68 0.00 0.00 175.30 175.41 3b4o s GLY 106 N -3.81 -0.03 0.08 -3.53 0.00 -0.66 -1.18 107.32 98.18 3b4o s GLY 106 Ca 0.33 0.24 -0.16 0.00 0.00 0.00 0.00 44.72 45.13 3b4o s GLY 106 CO 0.26 0.29 0.38 -1.83 0.00 0.00 0.00 173.10 172.20 3b4o s GLU 107 N 0.25 0.97 0.00 2.90 -1.05 -0.77 -1.57 118.70 119.44 3b4o s GLU 107 Ca -0.02 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 3b4o s GLU 107 Cb -0.03 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 3b4o s GLU 107 CO -0.01 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.26 3b4o n GLY 108 N 0.16 -0.65 3.77 -3.83 0.00 -0.68 -1.91 105.19 102.04 3b4o n GLY 108 Ca -0.17 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 3b4o n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b4o s ALA 109 N -2.00 3.43 -0.13 4.61 0.00 -1.26 -0.49 121.76 125.92 3b4o s ALA 109 Ca 0.00 1.52 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 3b4o s ALA 109 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 3b4o s ALA 109 CO 0.00 -1.10 -0.13 -1.50 0.00 0.00 0.00 175.76 173.04 3b4o s ILE 110 N -1.16 3.08 -0.45 0.00 2.07 -0.64 -4.17 121.20 119.93 3b4o s ILE 110 Ca 0.56 -0.65 0.04 0.00 -1.41 0.00 0.00 60.65 59.19 3b4o s ILE 110 Cb -0.45 -2.29 0.18 0.00 0.13 0.00 0.00 42.46 40.02 3b4o s ILE 110 CO 0.60 0.52 0.38 0.52 -1.91 0.00 0.00 174.94 175.05 3b4o n VAL 111 N 3.51 -0.77 -3.91 4.00 0.31 0.71 -1.91 118.33 120.26 3b4o n VAL 111 Ca -0.18 -3.67 -0.32 0.00 -0.01 0.00 0.00 64.34 60.15 3b4o n VAL 111 Cb 0.53 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 3b4o n VAL 111 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3b4o s PHE 112 N -0.26 3.53 0.07 3.52 2.99 -1.26 -4.35 117.98 122.22 3b4o s PHE 112 Ca 0.32 0.32 -0.32 0.00 0.00 0.00 0.00 56.93 57.25 3b4o s PHE 112 Cb 0.04 -1.80 -0.11 0.00 0.00 0.00 0.00 43.02 41.15 3b4o s PHE 112 CO -0.19 0.62 1.82 -2.30 -0.00 0.00 0.00 175.22 175.18 3b4o n PRO 113 N 0.72 2.56 -0.93 0.24 -0.02 -1.26 -2.89 135.00 133.42 3b4o n PRO 113 Ca -0.09 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3b4o n PRO 113 Cb 0.52 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 3b4o n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b4o n GLY 114 N 4.18 0.55 3.18 -1.23 0.00 -1.26 -5.02 105.19 105.59 3b4o n GLY 114 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3b4o n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b4o s TYR 115 N -2.06 1.28 0.49 1.61 1.51 -1.14 -5.12 117.35 113.92 3b4o s TYR 115 Ca 0.00 -0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 55.40 3b4o s TYR 115 Cb 0.00 -0.73 -0.06 0.00 -0.11 0.00 0.00 41.96 41.06 3b4o s TYR 115 CO 0.00 0.07 1.29 -1.25 -1.11 0.00 0.00 175.55 174.54 3b4o s PRO 116 N -1.60 3.49 0.39 -1.71 0.04 -1.26 -4.53 135.00 129.81 3b4o s PRO 116 Ca -0.00 2.07 -0.27 0.00 0.04 0.00 0.00 61.00 62.84 3b4o s PRO 116 Cb -0.09 -2.39 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 3b4o s PRO 116 CO 0.02 -0.86 1.42 -2.13 0.04 0.00 0.00 177.00 175.50 3b4o n ARG 117 N -0.65 2.44 -4.23 4.56 0.63 -1.26 -4.78 116.66 113.37 3b4o n ARG 117 Ca 0.08 0.86 -0.18 0.00 -0.92 0.00 0.00 57.85 57.69 3b4o n ARG 117 Cb 0.46 -2.57 -0.07 0.00 0.45 0.00 0.00 32.46 30.72 3b4o n ARG 117 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3b4o s GLY 118 N -0.26 2.09 -0.24 5.14 0.00 -0.80 -5.01 107.32 108.24 3b4o s GLY 118 Ca 0.56 -1.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.33 3b4o s GLY 118 CO 0.62 -1.34 -0.04 1.62 0.00 0.00 0.00 173.10 173.96 3b4o s GLN 119 N -3.33 3.08 -0.18 2.90 2.00 -1.26 -1.62 119.66 121.24 3b4o s GLN 119 Ca 0.38 -0.82 -0.05 0.00 -2.00 0.00 0.00 55.36 52.86 3b4o s GLN 119 Cb 0.02 -3.03 -0.03 0.00 0.80 0.00 0.00 33.01 30.77 3b4o s GLN 119 CO 0.25 -0.32 0.00 -0.47 -0.50 0.00 0.00 175.29 174.25 3b4o s TYR 120 N 1.41 3.07 0.04 1.67 5.04 0.36 -4.71 117.35 124.23 3b4o s TYR 120 Ca 0.03 -0.30 0.03 0.00 -2.44 0.00 0.00 57.07 54.38 3b4o s TYR 120 Cb -0.16 -2.04 -0.02 0.00 0.35 0.00 0.00 41.96 40.09 3b4o s TYR 120 CO -0.03 -0.10 -0.09 -0.98 -1.34 0.00 0.00 175.55 173.01 3b4o s ARG 121 N 0.68 0.58 0.26 4.97 1.70 -1.26 -1.69 118.95 124.19 3b4o s ARG 121 Ca -0.00 -0.71 -0.14 0.00 -0.47 0.00 0.00 55.73 54.41 3b4o s ARG 121 Cb -0.14 -0.42 0.00 0.00 -0.57 0.00 0.00 34.95 33.82 3b4o s ARG 121 CO 0.02 0.09 0.53 1.21 -1.08 0.00 0.00 175.30 176.07 3b4o s ASN 122 N -1.37 -0.10 -0.22 -2.89 3.04 -0.61 -4.76 114.94 108.03 3b4o s ASN 122 Ca -0.07 -0.89 -0.03 0.00 0.04 0.00 0.00 52.86 51.92 3b4o s ASN 122 Cb -0.09 0.62 0.00 0.00 -1.54 0.00 0.00 41.25 40.25 3b4o s ASN 122 CO 0.01 -1.19 -0.07 -2.28 -3.04 0.00 0.00 177.10 170.52 3b4o s HIS 123 N -3.95 2.95 -0.02 0.43 5.65 -1.26 -1.66 115.29 117.42 3b4o s HIS 123 Ca 0.20 -1.18 0.06 0.00 0.25 0.00 0.00 55.06 54.39 3b4o s HIS 123 Cb -0.02 -2.07 -0.03 0.00 -1.18 0.00 0.00 32.58 29.29 3b4o s HIS 123 CO 0.09 -0.63 -0.19 -0.06 -0.65 0.00 0.00 174.74 173.30 3b4o s PHE 124 N 1.42 2.56 -0.16 3.88 0.40 -0.18 -4.30 117.98 121.60 3b4o s PHE 124 Ca 0.05 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 56.08 3b4o s PHE 124 Cb -0.14 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.80 3b4o s PHE 124 CO -0.05 0.13 -0.04 -0.51 0.70 0.00 0.00 175.22 175.45 3b4o s LEU 125 N -0.83 3.25 -0.06 -0.37 1.43 -0.39 -1.57 118.68 120.15 3b4o s LEU 125 Ca 0.12 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 3b4o s LEU 125 Cb -0.10 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3b4o s LEU 125 CO 0.01 0.16 -0.13 -1.00 0.23 0.00 0.00 176.35 175.62 3b4o s HIS 126 N 0.40 2.74 -0.19 0.29 3.76 0.11 -1.03 115.29 121.36 3b4o s HIS 126 Ca -0.04 -0.15 -0.04 0.00 -0.15 0.00 0.00 55.06 54.68 3b4o s HIS 126 Cb -0.14 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 3b4o s HIS 126 CO 0.03 0.19 -0.02 0.45 -0.85 0.00 0.00 174.74 174.54 3b4o s SER 127 N -0.69 4.73 -0.18 1.40 0.15 -0.00 -0.86 113.70 118.25 3b4o s SER 127 Ca 0.11 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.55 3b4o s SER 127 Cb -0.11 -1.80 0.02 0.00 -1.71 0.00 0.00 66.02 62.42 3b4o s SER 127 CO 0.01 0.08 -0.20 -0.36 1.20 0.00 0.00 173.24 173.97 3b4o s PHE 128 N 0.89 2.80 -0.08 3.44 0.08 -0.13 -0.79 117.98 124.19 3b4o s PHE 128 Ca 0.00 -1.66 0.00 0.00 0.12 0.00 0.00 56.93 55.39 3b4o s PHE 128 Cb -0.14 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 3b4o s PHE 128 CO 0.02 -0.81 -0.07 1.03 -0.10 0.00 0.00 175.22 175.29 3b4o s ARG 129 N 1.29 2.87 0.28 0.44 0.52 -0.53 -0.44 118.95 123.37 3b4o s ARG 129 Ca 0.05 -0.55 0.09 0.00 -0.52 0.00 0.00 55.73 54.80 3b4o s ARG 129 Cb -0.13 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 3b4o s ARG 129 CO -0.13 0.61 0.02 -0.06 0.02 0.00 0.00 175.30 175.77 3b4o s PHE 130 N -0.66 2.69 -0.22 -0.53 0.08 0.16 -1.09 117.98 118.41 3b4o s PHE 130 Ca 0.10 -0.26 -0.12 0.00 0.12 0.00 0.00 56.93 56.77 3b4o s PHE 130 Cb -0.11 -1.29 0.07 0.00 -0.57 0.00 0.00 43.02 41.12 3b4o s PHE 130 CO 0.02 0.56 0.54 -2.00 -0.10 0.00 0.00 175.22 174.24 3b4o s GLU 131 N -3.71 0.53 -1.66 0.44 2.12 -0.16 -4.77 118.70 111.50 3b4o s GLU 131 Ca 0.33 1.00 -0.15 0.00 0.36 0.00 0.00 54.97 56.51 3b4o s GLU 131 Cb -0.05 0.08 0.13 0.00 0.26 0.00 0.00 34.13 34.54 3b4o s GLU 131 CO 0.20 -0.16 0.71 0.09 -0.54 0.00 0.00 175.26 175.57 3b4o n ASN 132 N 4.35 -2.73 -0.16 -1.70 3.02 -1.26 -1.29 115.26 115.49 3b4o n ASN 132 Ca -0.21 -1.02 -0.02 0.00 -0.03 0.00 0.00 54.58 53.30 3b4o n ASN 132 Cb 0.57 -2.77 -0.01 0.00 -0.61 0.00 0.00 39.78 36.95 3b4o n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b4o n GLY 133 N -1.52 0.38 3.62 7.41 0.00 -1.26 -5.00 105.19 108.82 3b4o n GLY 133 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 3b4o n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b4o s LEU 134 N -0.48 2.90 -0.32 0.99 1.43 -0.41 -4.90 118.68 117.89 3b4o s LEU 134 Ca 0.00 -1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 51.63 3b4o s LEU 134 Cb 0.00 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 45.11 3b4o s LEU 134 CO 0.00 -0.34 1.07 -0.63 0.23 0.00 0.00 176.35 176.68 3b4o s ILE 135 N -2.61 4.52 -0.09 -0.59 1.01 -0.18 -0.99 121.20 122.27 3b4o s ILE 135 Ca 0.35 1.73 -0.00 0.00 0.00 0.00 0.00 60.65 62.73 3b4o s ILE 135 Cb 0.04 -4.41 -0.25 0.00 0.01 0.00 0.00 42.46 37.85 3b4o s ILE 135 CO 0.19 -0.47 0.50 0.50 0.00 0.00 0.00 174.94 175.66 3b4o h LYS 136 N 8.07 0.18 -2.92 2.79 1.63 -1.41 -1.95 116.57 122.96 3b4o h LYS 136 Ca -0.20 -0.30 -0.23 0.00 -0.85 0.00 0.00 60.65 59.06 3b4o h LYS 136 Cb 1.06 0.11 -0.33 0.00 -0.60 0.00 0.00 32.23 32.47 3b4o h LYS 136 CO 1.03 0.97 -0.55 -2.00 -3.45 0.00 0.00 179.45 175.45 3b4o s GLU 137 N -2.58 0.13 -0.11 1.90 2.12 -0.95 -1.06 118.70 118.15 3b4o s GLU 137 Ca -0.16 0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.88 3b4o s GLU 137 Cb 0.07 -0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.35 3b4o s GLU 137 CO 0.79 -0.28 -0.10 -1.14 -0.54 0.00 0.00 175.26 173.99 3b4o s GLN 138 N 2.32 3.14 -0.01 4.30 -0.44 0.14 -1.45 119.66 127.65 3b4o s GLN 138 Ca 0.01 -0.62 0.03 0.00 -2.50 0.00 0.00 55.36 52.27 3b4o s GLN 138 Cb -0.12 -2.63 -0.00 0.00 -1.64 0.00 0.00 33.01 28.62 3b4o s GLN 138 CO -0.08 0.40 -0.09 1.03 0.50 0.00 0.00 175.29 177.05 3b4o s ARG 139 N -0.11 0.79 -0.10 1.67 0.52 0.03 -2.31 118.95 119.45 3b4o s ARG 139 Ca -0.00 -0.30 -0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3b4o s ARG 139 Cb -0.13 -0.76 -0.03 0.00 0.52 0.00 0.00 34.95 34.55 3b4o s ARG 139 CO 0.03 0.16 -0.07 -2.00 0.02 0.00 0.00 175.30 173.43 3b4o s GLU 140 N -0.04 3.03 -0.08 3.54 2.12 -0.20 -0.82 118.70 126.25 3b4o s GLU 140 Ca 0.01 -0.57 -0.00 0.00 0.36 0.00 0.00 54.97 54.77 3b4o s GLU 140 Cb -0.05 -2.66 0.02 0.00 0.26 0.00 0.00 34.13 31.70 3b4o s GLU 140 CO -0.00 0.50 -0.05 -0.06 -0.54 0.00 0.00 175.26 175.12 3b4o s PHE 141 N -0.38 1.07 0.26 5.30 0.40 -0.20 -0.68 117.98 123.76 3b4o s PHE 141 Ca 0.05 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 3b4o s PHE 141 Cb -0.12 -0.97 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 3b4o s PHE 141 CO 0.02 -0.37 0.30 0.00 0.70 0.00 0.00 175.22 175.87 3b4o n MET 142 N 4.76 0.43 -3.14 0.44 0.00 -1.26 -1.26 117.12 117.10 3b4o n MET 142 Ca -0.14 -2.36 -0.44 0.00 0.00 0.00 0.00 57.70 54.76 3b4o n MET 142 Cb 0.50 2.10 -0.05 0.00 0.00 0.00 0.00 33.22 35.76 3b4o n MET 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3b4o s ASN 143 N -2.73 6.20 0.58 3.17 3.84 -1.26 -4.79 114.94 119.95 3b4o s ASN 143 Ca 0.26 -1.18 0.27 0.00 0.21 0.00 0.00 52.86 52.43 3b4o s ASN 143 Cb 0.00 -2.29 1.63 0.00 -0.55 0.00 0.00 41.25 40.04 3b4o s ASN 143 CO 0.19 -1.00 2.14 -0.65 -2.79 0.00 0.00 177.10 174.98 3b4o h PRO 144 N 9.09 0.00 -0.66 0.43 0.11 -1.95 -2.43 132.00 136.58 3b4o h PRO 144 Ca -0.28 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.95 3b4o h PRO 144 Cb 1.09 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3b4o h PRO 144 CO 1.03 0.00 0.44 0.00 -0.21 0.00 0.00 178.00 179.27 3b4o h GLU 146 N 0.40 0.23 -0.32 0.00 4.39 -1.77 -1.87 114.58 115.65 3b4o h GLU 146 Ca 0.31 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 3b4o h GLU 146 Cb 0.68 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3b4o h GLU 146 CO -0.09 0.80 -0.21 0.37 -1.16 0.00 0.00 179.01 178.72 3b4o h GLN 147 N 0.16 0.70 -0.31 2.33 4.15 -1.40 -2.56 115.11 118.18 3b4o h GLN 147 Ca -0.01 -0.33 0.07 0.00 0.77 0.00 0.00 58.65 59.15 3b4o h GLN 147 Cb 1.18 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.78 3b4o h GLN 147 CO 0.10 0.94 -0.34 0.74 -1.93 0.00 0.00 178.83 178.34 3b4o h PHE 148 N 0.46 -0.95 -0.99 3.99 0.04 -1.03 -2.07 116.94 116.40 3b4o h PHE 148 Ca 0.06 0.05 0.16 0.00 2.80 0.00 0.00 57.97 61.05 3b4o h PHE 148 Cb 0.76 0.46 -0.10 0.00 2.20 0.00 0.00 35.95 39.27 3b4o h PHE 148 CO 0.06 -0.40 0.60 0.00 -0.60 0.00 0.00 178.31 177.98 3b4o h ARG 149 N -0.31 0.81 0.00 1.51 3.08 -1.31 -0.88 114.38 117.27 3b4o h ARG 149 Ca 0.14 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3b4o h ARG 149 Cb 0.55 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3b4o h ARG 149 CO -0.48 0.53 -0.14 0.66 -1.07 0.00 0.00 179.97 179.46 3b4o h SER 150 N 0.83 0.00 -0.11 7.04 4.64 -0.95 -2.84 113.55 122.16 3b4o h SER 150 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3b4o h SER 150 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3b4o h SER 150 CO -0.34 0.14 0.00 0.18 -0.87 0.00 0.00 176.83 175.94 3b4o n LEU 151 N -3.35 2.97 -0.04 5.97 4.77 -0.48 -4.12 117.00 122.72 3b4o n LEU 151 Ca -0.00 -1.12 -0.01 0.00 -0.03 0.00 0.00 56.01 54.85 3b4o n LEU 151 Cb 0.36 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3b4o n LEU 151 CO 0.31 0.54 -0.01 0.61 -1.33 0.00 0.00 177.39 177.51 3b4o n GLY 152 N 1.28 0.47 3.71 -0.72 0.00 -0.86 -4.45 105.19 104.63 3b4o n GLY 152 Ca 0.14 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3b4o n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b4o s ILE 153 N -2.00 4.94 0.18 -0.61 1.01 -0.46 -5.00 121.20 119.25 3b4o s ILE 153 Ca 0.00 1.83 -0.32 0.00 0.00 0.00 0.00 60.65 62.16 3b4o s ILE 153 Cb 0.00 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 3b4o s ILE 153 CO 0.00 0.20 1.60 -0.70 0.00 0.00 0.00 174.94 176.03 3b4o s GLU 154 N 0.93 4.20 -0.23 2.79 2.12 -1.26 -4.05 118.70 123.19 3b4o s GLU 154 Ca 0.47 2.42 -0.08 0.00 0.36 0.00 0.00 54.97 58.13 3b4o s GLU 154 Cb -0.20 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 3b4o s GLU 154 CO 0.24 -0.63 0.09 0.08 -0.54 0.00 0.00 175.26 174.50 3b4o s VAL 155 N 1.11 4.65 0.67 3.70 1.01 -1.26 -5.03 120.40 125.24 3b4o s VAL 155 Ca 0.71 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 3b4o s VAL 155 Cb -0.45 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3b4o s VAL 155 CO 0.32 0.37 1.12 -2.16 0.00 0.00 0.00 175.10 174.74 3b4o s PRO 156 N 1.20 2.75 -0.20 2.72 0.04 -1.26 -5.03 135.00 135.23 3b4o s PRO 156 Ca 0.05 1.41 -0.07 0.00 0.04 0.00 0.00 61.00 62.43 3b4o s PRO 156 Cb -0.14 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3b4o s PRO 156 CO 0.04 -1.30 0.06 -1.21 0.04 0.00 0.00 177.00 174.64 3b4o s GLU 157 N -4.09 3.91 -0.03 4.56 2.02 -1.26 -5.08 118.70 118.73 3b4o s GLU 157 Ca 0.67 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 55.01 3b4o s GLU 157 Cb -0.21 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 3b4o s GLU 157 CO 0.42 0.17 0.92 0.08 0.02 0.00 0.00 175.26 176.87 3b4o s VAL 158 N 0.64 4.90 -0.12 2.63 1.01 -1.26 -5.03 120.40 123.17 3b4o s VAL 158 Ca 0.03 1.91 -0.25 0.00 0.00 0.00 0.00 61.98 63.68 3b4o s VAL 158 Cb -0.13 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 3b4o s VAL 158 CO 0.02 0.17 0.79 -0.13 0.00 0.00 0.00 175.10 175.94 3b4o s ARG 159 N 1.06 4.36 -0.80 2.72 0.52 -1.26 -5.03 118.95 120.52 3b4o s ARG 159 Ca 0.48 0.98 0.02 0.00 -0.52 0.00 0.00 55.73 56.69 3b4o s ARG 159 Cb -0.20 -3.52 0.22 0.00 0.52 0.00 0.00 34.95 31.97 3b4o s ARG 159 CO 0.25 -0.17 0.75 0.54 0.02 0.00 0.00 175.30 176.69 3b4o n ARG 160 N 4.65 2.54 -0.06 3.54 1.74 -1.26 -5.01 116.66 122.78 3b4o n ARG 160 Ca 0.02 -4.54 -0.14 0.00 -0.77 0.00 0.00 57.85 52.42 3b4o n ARG 160 Cb 0.50 -2.35 -0.10 0.00 -1.02 0.00 0.00 32.46 29.50 3b4o n ARG 160 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3b4o h ASP 161 N 5.32 -1.76 -0.16 0.55 5.19 -2.06 -2.43 116.42 121.08 3b4o h ASP 161 Ca 0.17 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 3b4o h ASP 161 Cb 0.74 0.70 0.00 0.00 0.18 0.00 0.00 39.33 40.95 3b4o h ASP 161 CO 0.85 -0.45 0.00 0.61 -3.12 0.00 0.00 179.24 177.14 3b4o n GLY 162 N -1.41 0.02 3.66 2.75 0.00 -1.26 -4.94 105.19 104.00 3b4o n GLY 162 Ca -0.05 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3b4o n GLY 162 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3b4o s LEU 163 N -1.39 4.38 1.01 0.99 2.96 -0.92 -4.92 118.68 120.81 3b4o s LEU 163 Ca 0.27 2.48 -0.15 0.00 -0.22 0.00 0.00 54.13 56.50 3b4o s LEU 163 Cb 0.14 -3.53 0.20 0.00 0.50 0.00 0.00 46.19 43.49 3b4o s LEU 163 CO 0.21 -0.99 1.16 -2.84 -1.32 0.00 0.00 176.35 172.56 3b4o s PRO 164 N 4.21 0.28 0.00 0.98 0.02 -1.26 -5.13 135.00 134.11 3b4o s PRO 164 Ca 0.81 0.09 0.00 0.00 0.02 0.00 0.00 61.00 61.92 3b4o s PRO 164 Cb -0.38 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3b4o s PRO 164 CO 0.36 -2.74 0.02 -1.13 -0.33 0.00 0.00 177.00 173.18