#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b85 s ALA 1 N 0.00 0.07 -0.19 5.13 0.00 -0.37 -4.90 121.76 121.49 1b85 s ALA 1 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 1b85 s ALA 1 Cb 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1b85 s ALA 1 CO 0.00 -0.36 0.03 0.99 0.00 0.00 0.00 175.76 176.42 1b85 s THR 2 N -3.12 4.31 0.83 0.00 2.01 -1.26 -1.00 115.64 117.41 1b85 s THR 2 Ca -0.01 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 1b85 s THR 2 Cb 0.02 -2.94 0.09 0.00 0.01 0.00 0.00 72.50 69.68 1b85 s THR 2 CO -0.07 0.44 1.17 0.00 -0.69 0.00 0.00 174.62 175.47 1b85 h SER 4 N -1.16 0.34 -0.03 0.00 0.02 -1.95 -0.69 113.55 110.08 1b85 h SER 4 Ca -0.47 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1b85 h SER 4 Cb 1.33 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1b85 h SER 4 CO 0.65 0.17 0.00 -0.46 -1.14 0.00 0.00 176.83 176.04 1b85 n ASN 5 N -4.47 0.20 0.00 3.07 0.23 -1.26 -4.90 115.26 108.14 1b85 n ASN 5 Ca 0.15 -1.69 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 1b85 n ASN 5 Cb 0.59 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1b85 n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1b85 n GLY 6 N 0.71 1.07 3.80 4.83 0.00 -0.27 -5.04 105.19 110.30 1b85 n GLY 6 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1b85 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b85 s LYS 7 N -0.24 4.37 0.11 1.61 1.02 -1.26 -4.76 119.74 120.60 1b85 s LYS 7 Ca 0.00 0.96 -0.14 0.00 0.02 0.00 0.00 55.97 56.81 1b85 s LYS 7 Cb 0.00 -3.12 -0.07 0.00 -0.52 0.00 0.00 37.83 34.12 1b85 s LYS 7 CO 0.00 0.52 0.50 0.95 -0.92 0.00 0.00 175.35 176.41 1b85 s THR 8 N -1.27 4.92 0.20 2.17 -4.23 -1.26 -0.71 115.64 115.46 1b85 s THR 8 Ca 0.37 0.77 0.01 0.00 -1.18 0.00 0.00 61.69 61.65 1b85 s THR 8 Cb -0.20 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 69.87 1b85 s THR 8 CO 0.23 0.31 0.07 0.68 -0.54 0.00 0.00 174.62 175.36 1b85 s VAL 9 N -1.39 0.42 -0.59 2.29 -7.23 -0.17 -4.86 120.40 108.87 1b85 s VAL 9 Ca 0.35 -1.98 0.25 0.00 -1.81 0.00 0.00 61.98 58.79 1b85 s VAL 9 Cb -0.15 -2.37 0.28 0.00 0.56 0.00 0.00 36.38 34.70 1b85 s VAL 9 CO 0.18 -0.21 1.75 1.23 -0.31 0.00 0.00 175.10 177.75 1b85 h GLY 10 N 2.59 0.00 -5.16 2.32 0.00 -1.86 -0.98 103.07 99.99 1b85 h GLY 10 Ca -0.37 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1b85 h GLY 10 CO 0.60 0.00 -0.05 -0.35 0.00 0.00 0.00 176.54 176.73 1b85 s ASP 11 N -4.51 -0.67 0.62 0.19 2.15 -1.26 -3.23 116.67 109.95 1b85 s ASP 11 Ca 0.07 1.22 0.39 0.00 0.43 0.00 0.00 52.55 54.67 1b85 s ASP 11 Cb 0.11 1.19 2.06 0.00 -0.30 0.00 0.00 42.92 45.98 1b85 s ASP 11 CO 0.51 -0.21 2.26 0.00 -0.17 0.00 0.00 175.17 177.56 1b85 h ALA 12 N 5.87 1.10 0.00 3.66 0.00 -1.91 -0.29 119.26 127.69 1b85 h ALA 12 Ca -0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1b85 h ALA 12 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1b85 h ALA 12 CO 0.16 0.02 -0.04 0.66 0.00 0.00 0.00 179.25 180.04 1b85 h SER 13 N 0.00 0.00 0.75 0.00 4.64 -2.00 -2.12 113.55 114.82 1b85 h SER 13 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1b85 h SER 13 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1b85 h SER 13 CO 0.00 0.04 -0.26 0.00 -0.87 0.00 0.00 176.83 175.75 1b85 h ALA 16 N 1.81 1.00 0.00 0.00 0.00 -1.78 -1.91 119.26 118.39 1b85 h ALA 16 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1b85 h ALA 16 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1b85 h ALA 16 CO -0.02 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.14 1b85 n TRP 17 N -3.09 0.87 0.04 0.00 7.02 -0.45 -2.11 117.44 119.71 1b85 n TRP 17 Ca -0.01 0.32 0.01 0.00 -1.02 0.00 0.00 57.50 56.79 1b85 n TRP 17 Cb 0.19 -1.01 0.33 0.00 -2.42 0.00 0.00 31.31 28.39 1b85 n TRP 17 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 1b85 h PHE 18 N 0.00 0.45 -0.59 -5.99 0.04 -1.49 0.24 116.94 109.61 1b85 h PHE 18 Ca 0.00 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 1b85 h PHE 18 Cb 0.46 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1b85 h PHE 18 CO 0.00 0.48 0.05 -0.44 -0.60 0.00 0.00 178.31 177.80 1b85 h ASP 19 N 0.42 0.94 -0.25 2.17 3.32 -1.61 -2.31 116.42 119.10 1b85 h ASP 19 Ca 0.09 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1b85 h ASP 19 Cb 0.34 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1b85 h ASP 19 CO 0.01 0.97 -0.26 0.58 -1.72 0.00 0.00 179.24 178.82 1b85 h VAL 20 N 0.91 1.31 -0.29 -1.35 2.07 -1.40 -2.73 116.25 114.78 1b85 h VAL 20 Ca 0.18 -1.44 0.07 0.00 0.82 0.00 0.00 66.70 66.33 1b85 h VAL 20 Cb 0.46 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 1b85 h VAL 20 CO 0.02 0.45 -0.16 0.25 0.02 0.00 0.00 177.57 178.15 1b85 h LEU 21 N 0.34 -0.54 -0.64 2.57 5.85 -0.42 -1.13 115.31 121.34 1b85 h LEU 21 Ca 0.04 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1b85 h LEU 21 Cb 0.83 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1b85 h LEU 21 CO 0.07 -0.20 0.40 -0.78 -0.34 0.00 0.00 178.44 177.59 1b85 h ASP 22 N -0.13 0.76 -0.43 1.25 3.58 -1.36 -1.34 116.42 118.75 1b85 h ASP 22 Ca 0.15 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1b85 h ASP 22 Cb 0.36 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1b85 h ASP 22 CO -0.37 0.58 0.21 -0.78 -2.88 0.00 0.00 179.24 176.01 1b85 h ASP 23 N 0.87 0.55 0.87 2.28 3.58 -1.20 -2.43 116.42 120.95 1b85 h ASP 23 Ca 0.23 -0.12 -0.16 0.00 0.42 0.00 0.00 57.03 57.40 1b85 h ASP 23 Cb -0.05 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 1b85 h ASP 23 CO -0.05 0.51 -0.77 0.16 -2.88 0.00 0.00 179.24 176.21 1b85 h ILE 24 N 0.55 1.50 -0.72 2.25 3.07 -1.08 0.10 117.51 123.19 1b85 h ILE 24 Ca 0.15 -2.71 -0.06 0.00 1.55 0.00 0.00 64.86 63.79 1b85 h ILE 24 Cb 0.10 2.48 -0.03 0.00 -0.27 0.00 0.00 36.82 39.11 1b85 h ILE 24 CO -0.02 0.76 0.23 1.56 -1.05 0.00 0.00 178.15 179.63 1b85 h GLN 25 N 0.00 1.11 0.07 0.16 1.08 -1.18 0.42 115.11 116.78 1b85 h GLN 25 Ca -0.01 -0.24 -0.10 0.00 -1.45 0.00 0.00 58.65 56.86 1b85 h GLN 25 Cb 1.42 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 28.70 1b85 h GLN 25 CO 0.10 0.95 -0.46 0.37 -0.95 0.00 0.00 178.83 178.83 1b85 h GLN 26 N 1.05 0.14 -0.00 1.46 4.15 -1.34 0.26 115.11 120.82 1b85 h GLN 26 Ca 0.23 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1b85 h GLN 26 Cb 0.30 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1b85 h GLN 26 CO -0.01 1.12 -0.74 0.09 -1.93 0.00 0.00 178.83 177.36 1b85 n ASN 27 N -4.36 1.21 -0.02 -0.69 3.02 0.35 -3.63 115.26 111.14 1b85 n ASN 27 Ca -0.13 -1.03 -0.04 0.00 -0.03 0.00 0.00 54.58 53.36 1b85 n ASN 27 Cb 0.66 0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 40.50 1b85 n ASN 27 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1b85 n LEU 28 N -1.04 2.27 -1.63 3.41 7.94 -0.04 -4.74 117.00 123.17 1b85 n LEU 28 Ca 0.06 -0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.04 1b85 n LEU 28 Cb 0.37 -0.16 0.37 0.00 0.53 0.00 0.00 43.42 44.53 1b85 n LEU 28 CO 0.37 0.45 0.83 0.49 -1.11 0.00 0.00 177.39 178.42 1b85 n PHE 29 N -2.80 1.76 -3.97 1.96 3.72 -0.18 -4.81 117.46 113.15 1b85 n PHE 29 Ca -0.09 -0.75 -0.26 0.00 -0.05 0.00 0.00 57.45 56.30 1b85 n PHE 29 Cb 0.58 -0.44 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 1b85 n PHE 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1b85 n HIS 30 N 0.40 -1.63 -1.97 1.38 8.25 -1.20 -1.20 115.22 119.25 1b85 n HIS 30 Ca 0.26 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 1b85 n HIS 30 Cb 1.10 -3.70 0.00 0.00 1.12 0.00 0.00 29.99 28.51 1b85 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b85 n GLY 31 N -2.01 0.78 1.80 -1.41 0.00 0.85 -4.41 105.19 100.78 1b85 n GLY 31 Ca -0.31 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 1b85 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b85 n GLY 32 N -0.71 0.61 3.91 -0.02 0.00 -0.89 -4.99 105.19 103.10 1b85 n GLY 32 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1b85 n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b85 s GLN 33 N -4.50 3.60 -1.08 1.61 -0.21 -0.34 -4.76 119.66 113.98 1b85 s GLN 33 Ca 0.01 -0.06 -0.02 0.00 0.02 0.00 0.00 55.36 55.30 1b85 s GLN 33 Cb -0.00 -2.66 0.29 0.00 1.00 0.00 0.00 33.01 31.63 1b85 s GLN 33 CO 0.01 0.22 1.84 0.00 -2.12 0.00 0.00 175.29 175.23 1b85 n GLY 35 N 0.49 3.01 0.09 0.00 0.00 -1.26 -4.61 105.19 102.91 1b85 n GLY 35 Ca 0.45 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 1b85 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b85 h ALA 36 N -0.37 0.16 -0.70 4.61 0.00 -1.92 -0.98 119.26 120.05 1b85 h ALA 36 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1b85 h ALA 36 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1b85 h ALA 36 CO 0.00 -0.31 0.24 0.93 0.00 0.00 0.00 179.25 180.11 1b85 h GLU 37 N 0.12 1.06 -0.31 0.00 3.07 -1.94 -0.37 114.58 116.22 1b85 h GLU 37 Ca 0.04 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1b85 h GLU 37 Cb 0.06 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1b85 h GLU 37 CO -0.01 0.89 0.14 0.00 -1.40 0.00 0.00 179.01 178.63 1b85 h ALA 38 N 1.23 0.39 -0.59 3.43 0.00 -1.73 -1.23 119.26 120.75 1b85 h ALA 38 Ca 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1b85 h ALA 38 Cb 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1b85 h ALA 38 CO -0.01 -0.03 0.30 0.45 0.00 0.00 0.00 179.25 179.95 1b85 h HIS 39 N 0.36 0.84 -0.50 0.00 3.86 -0.80 -1.57 115.15 117.33 1b85 h HIS 39 Ca 0.10 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1b85 h HIS 39 Cb 0.13 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1b85 h HIS 39 CO -0.02 0.63 0.11 0.93 0.86 0.00 0.00 177.93 180.44 1b85 h GLU 40 N 0.81 0.77 -0.19 2.45 5.08 -0.98 -1.98 114.58 120.54 1b85 h GLU 40 Ca 0.21 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1b85 h GLU 40 Cb 0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1b85 h GLU 40 CO -0.03 0.70 -0.36 0.77 -1.00 0.00 0.00 179.01 179.10 1b85 h SER 41 N 0.74 0.41 -0.32 1.42 0.02 -0.73 -0.25 113.55 114.84 1b85 h SER 41 Ca 0.16 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1b85 h SER 41 Cb 0.30 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1b85 h SER 41 CO 0.00 0.74 -0.27 0.40 -1.14 0.00 0.00 176.83 176.56 1b85 h ILE 42 N 0.34 1.29 -0.93 3.27 2.04 -0.98 -2.92 117.51 119.62 1b85 h ILE 42 Ca 0.04 -1.43 0.02 0.00 1.00 0.00 0.00 64.86 64.49 1b85 h ILE 42 Cb 0.79 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1b85 h ILE 42 CO 0.06 0.46 0.61 -0.09 0.00 0.00 0.00 178.15 179.19 1b85 h ARG 43 N 0.50 1.18 -0.90 2.37 2.43 -1.15 -2.74 114.38 116.07 1b85 h ARG 43 Ca 0.06 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1b85 h ARG 43 Cb 0.84 -0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1b85 h ARG 43 CO 0.07 0.78 0.59 1.25 -1.51 0.00 0.00 179.97 181.15 1b85 h LEU 44 N 1.21 0.91 -0.53 3.80 5.85 -0.87 -1.71 115.31 123.98 1b85 h LEU 44 Ca 0.36 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.15 1b85 h LEU 44 Cb -0.07 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1b85 h LEU 44 CO -0.10 0.59 0.19 0.58 -0.34 0.00 0.00 178.44 179.36 1b85 h VAL 45 N 1.04 0.82 -0.36 1.05 2.07 -1.31 -0.84 116.25 118.71 1b85 h VAL 45 Ca 0.39 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.66 1b85 h VAL 45 Cb 0.18 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1b85 h VAL 45 CO -0.14 0.07 -0.25 0.15 0.02 0.00 0.00 177.57 177.41 1b85 h PHE 46 N 0.37 0.83 0.00 1.57 3.57 -1.37 -0.59 116.94 121.32 1b85 h PHE 46 Ca 0.25 -0.20 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1b85 h PHE 46 Cb 0.28 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1b85 h PHE 46 CO -0.16 0.91 -0.53 0.45 -2.23 0.00 0.00 178.31 176.75 1b85 h HIS 47 N 0.63 0.00 -0.04 0.41 3.86 -1.09 -1.38 115.15 117.54 1b85 h HIS 47 Ca 0.08 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1b85 h HIS 47 Cb 0.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1b85 h HIS 47 CO 0.04 0.53 -0.26 0.22 0.86 0.00 0.00 177.93 179.32 1b85 h ASP 48 N 0.00 0.29 0.50 2.45 3.58 -1.02 -3.40 116.42 118.82 1b85 h ASP 48 Ca -0.01 -0.69 -0.30 0.00 0.42 0.00 0.00 57.03 56.46 1b85 h ASP 48 Cb 1.15 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 42.13 1b85 h ASP 48 CO 0.07 0.93 -1.37 0.28 -2.88 0.00 0.00 179.24 176.27 1b85 h SER 49 N -0.33 0.53 0.67 2.28 0.02 -0.87 -3.30 113.55 112.55 1b85 h SER 49 Ca -0.02 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1b85 h SER 49 Cb 0.94 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1b85 h SER 49 CO 0.05 1.47 0.00 0.00 -1.14 0.00 0.00 176.83 177.22 1b85 n ILE 50 N -3.57 0.49 -2.47 3.27 0.13 -0.54 -3.99 119.36 112.68 1b85 n ILE 50 Ca -0.12 0.12 -0.43 0.00 -1.10 0.00 0.00 62.75 61.22 1b85 n ILE 50 Cb 1.05 -0.76 0.00 0.00 -0.84 0.00 0.00 39.64 39.10 1b85 n ILE 50 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1b85 n ALA 51 N -1.46 4.44 -3.41 1.51 0.00 -1.24 -4.81 120.51 115.54 1b85 n ALA 51 Ca 0.06 -4.08 -0.13 0.00 0.00 0.00 0.00 53.44 49.30 1b85 n ALA 51 Cb 0.23 -3.29 -0.10 0.00 0.00 0.00 0.00 19.45 16.29 1b85 n ALA 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1b85 s ILE 52 N 2.37 -0.01 -0.33 0.00 2.07 -1.24 -2.59 121.20 121.48 1b85 s ILE 52 Ca 0.46 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.74 1b85 s ILE 52 Cb 0.05 -0.61 0.15 0.00 0.13 0.00 0.00 42.46 42.18 1b85 s ILE 52 CO 0.01 0.01 0.35 -0.55 -1.91 0.00 0.00 174.94 172.85 1b85 s SER 53 N 0.50 1.20 0.49 4.50 0.15 -0.41 -4.25 113.70 115.87 1b85 s SER 53 Ca -0.02 -1.05 0.21 0.00 0.70 0.00 0.00 55.95 55.79 1b85 s SER 53 Cb -0.04 0.65 1.25 0.00 -1.71 0.00 0.00 66.02 66.16 1b85 s SER 53 CO -0.03 -0.32 1.96 -0.65 1.20 0.00 0.00 173.24 175.40 1b85 h PRO 54 N 7.71 0.18 -0.77 5.44 0.11 -1.89 -1.87 132.00 140.91 1b85 h PRO 54 Ca -0.04 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 1b85 h PRO 54 Cb 1.08 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1b85 h PRO 54 CO 0.26 0.12 0.28 0.00 -0.21 0.00 0.00 178.00 178.45 1b85 h ALA 55 N 1.69 1.03 -0.52 -0.75 0.00 -1.94 -1.52 119.26 117.26 1b85 h ALA 55 Ca 0.30 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1b85 h ALA 55 Cb 0.94 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1b85 h ALA 55 CO -0.05 0.67 -0.16 0.52 0.00 0.00 0.00 179.25 180.22 1b85 h MET 56 N 1.13 1.02 -0.68 0.00 2.86 -1.70 -3.08 114.93 114.48 1b85 h MET 56 Ca 0.25 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1b85 h MET 56 Cb 0.26 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1b85 h MET 56 CO -0.01 1.10 0.42 0.93 1.06 0.00 0.00 176.91 180.40 1b85 h GLU 57 N 0.89 0.91 0.00 1.72 4.39 -0.98 -0.69 114.58 120.82 1b85 h GLU 57 Ca 0.13 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1b85 h GLU 57 Cb 0.74 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1b85 h GLU 57 CO 0.06 0.63 0.00 0.00 -1.16 0.00 0.00 179.01 178.54 1b85 h ALA 58 N 1.53 1.00 -0.06 3.43 0.00 -1.20 -1.26 119.26 122.71 1b85 h ALA 58 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1b85 h ALA 58 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1b85 h ALA 58 CO -0.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.24 1b85 n GLN 59 N -2.59 2.00 -0.72 0.00 6.02 -0.32 -4.93 117.38 116.83 1b85 n GLN 59 Ca -0.01 -1.45 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 1b85 n GLN 59 Cb 0.14 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1b85 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b85 n GLY 60 N 1.26 0.60 3.69 1.08 0.00 -0.47 -5.05 105.19 106.29 1b85 n GLY 60 Ca 0.17 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1b85 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b85 s LYS 61 N -0.89 2.55 0.06 1.61 1.02 -0.86 -5.02 119.74 118.21 1b85 s LYS 61 Ca 0.00 -0.87 -0.31 0.00 0.02 0.00 0.00 55.97 54.82 1b85 s LYS 61 Cb 0.00 -2.53 -0.06 0.00 -0.52 0.00 0.00 37.83 34.72 1b85 s LYS 61 CO 0.00 0.53 1.28 0.12 -0.92 0.00 0.00 175.35 176.36 1b85 s PHE 62 N -1.37 3.29 -0.91 3.18 5.36 -1.26 -3.25 117.98 123.02 1b85 s PHE 62 Ca 0.26 1.14 0.13 0.00 -0.96 0.00 0.00 56.93 57.50 1b85 s PHE 62 Cb -0.11 -3.52 0.41 0.00 -0.34 0.00 0.00 43.02 39.45 1b85 s PHE 62 CO 0.19 -1.74 1.34 0.41 -1.46 0.00 0.00 175.22 173.96 1b85 n GLY 63 N 3.36 2.96 0.00 13.12 0.00 -1.26 -4.74 105.19 118.62 1b85 n GLY 63 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1b85 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b85 n GLY 64 N 0.49 2.37 1.17 -0.02 0.00 -1.26 -1.29 105.19 106.65 1b85 n GLY 64 Ca 0.15 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.53 1b85 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b85 n GLY 65 N 1.56 1.94 6.78 -0.02 0.00 -1.24 -4.42 105.19 109.78 1b85 n GLY 65 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1b85 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b85 n GLY 66 N 1.48 0.31 3.52 -0.02 0.00 -1.07 -4.33 105.19 105.08 1b85 n GLY 66 Ca 0.20 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1b85 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b85 s ALA 67 N -2.00 3.56 -0.00 4.61 0.00 0.28 -4.14 121.76 124.07 1b85 s ALA 67 Ca 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 48.93 1b85 s ALA 67 Cb 0.00 -4.37 0.01 0.00 0.00 0.00 0.00 23.12 18.75 1b85 s ALA 67 CO 0.00 -3.08 0.79 -0.40 0.00 0.00 0.00 175.76 173.07 1b85 n ASP 68 N 7.14 1.11 -0.35 0.00 5.75 -1.26 -4.86 116.55 124.08 1b85 n ASP 68 Ca 0.40 -1.59 -0.05 0.00 -0.01 0.00 0.00 54.79 53.55 1b85 n ASP 68 Cb 0.45 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.51 1b85 n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b85 n GLY 69 N -0.30 0.69 0.22 6.12 0.00 -1.26 -1.63 105.19 109.04 1b85 n GLY 69 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.68 1b85 n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b85 h SER 70 N 0.00 0.21 0.73 1.61 4.64 -1.90 -1.10 113.55 117.74 1b85 h SER 70 Ca -0.09 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1b85 h SER 70 Cb 0.49 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1b85 h SER 70 CO 0.14 0.47 -0.01 -0.29 -0.87 0.00 0.00 176.83 176.27 1b85 h ILE 71 N 0.20 0.02 0.05 0.95 2.10 -1.90 0.17 117.51 119.10 1b85 h ILE 71 Ca 0.03 -0.38 -0.31 0.00 1.08 0.00 0.00 64.86 65.28 1b85 h ILE 71 Cb 0.55 1.37 -0.03 0.00 -1.09 0.00 0.00 36.82 37.62 1b85 h ILE 71 CO 0.04 0.01 -1.69 0.80 -1.08 0.00 0.00 178.15 176.23 1b85 n MET 72 N -3.11 0.65 -0.13 2.19 1.56 -0.59 -3.14 117.12 114.55 1b85 n MET 72 Ca -0.00 0.41 -0.11 0.00 -0.27 0.00 0.00 57.70 57.73 1b85 n MET 72 Cb 0.24 -1.71 -0.02 0.00 2.15 0.00 0.00 33.22 33.88 1b85 n MET 72 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1b85 h ILE 73 N -0.52 1.26 -1.30 1.12 2.04 -1.07 -3.03 117.51 116.02 1b85 h ILE 73 Ca -0.41 -0.99 -0.65 0.00 1.00 0.00 0.00 64.86 63.81 1b85 h ILE 73 Cb 1.65 1.16 -0.35 0.00 -0.74 0.00 0.00 36.82 38.54 1b85 h ILE 73 CO -0.10 0.33 0.09 0.49 0.00 0.00 0.00 178.15 178.97 1b85 n PHE 74 N -4.48 3.09 0.27 1.37 3.72 0.03 -4.83 117.46 116.63 1b85 n PHE 74 Ca -0.01 -2.67 0.10 0.00 -0.05 0.00 0.00 57.45 54.82 1b85 n PHE 74 Cb 0.28 -0.77 0.72 0.00 -0.94 0.00 0.00 39.48 38.77 1b85 n PHE 74 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1b85 h ASP 75 N 2.43 0.00 0.68 4.37 2.03 -1.48 -1.19 116.42 123.26 1b85 h ASP 75 Ca 0.46 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.72 1b85 h ASP 75 Cb 0.84 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 1b85 h ASP 75 CO 1.16 0.06 -0.19 -2.24 -1.03 0.00 0.00 179.24 176.99 1b85 h ASP 76 N 0.00 0.00 0.00 4.15 2.03 -1.88 -1.18 116.42 119.54 1b85 h ASP 76 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1b85 h ASP 76 Cb 0.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1b85 h ASP 76 CO 0.01 0.19 -0.27 0.40 -1.03 0.00 0.00 179.24 178.54 1b85 h ILE 77 N 0.00 0.00 -0.45 4.15 1.08 -1.73 -3.39 117.51 117.18 1b85 h ILE 77 Ca -0.00 -0.72 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 1b85 h ILE 77 Cb 0.58 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 1b85 h ILE 77 CO 0.02 0.00 0.14 -0.33 -0.69 0.00 0.00 178.15 177.30 1b85 h GLU 78 N -0.72 0.65 0.00 2.37 5.08 -1.28 -2.68 114.58 118.00 1b85 h GLU 78 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1b85 h GLU 78 Cb 0.27 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1b85 h GLU 78 CO 0.00 0.57 0.00 0.25 -1.00 0.00 0.00 179.01 178.83 1b85 n THR 79 N -4.34 0.05 0.68 1.13 -2.24 -0.45 -2.14 114.28 106.97 1b85 n THR 79 Ca 0.03 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1b85 n THR 79 Cb 0.18 -0.54 0.21 0.00 -2.10 0.00 0.00 70.33 68.07 1b85 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b85 n ALA 80 N -1.19 3.03 -1.77 6.98 0.00 -1.01 -4.38 120.51 122.17 1b85 n ALA 80 Ca 0.16 -0.26 -0.39 0.00 0.00 0.00 0.00 53.44 52.95 1b85 n ALA 80 Cb 0.19 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1b85 n ALA 80 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b85 s PHE 81 N -3.12 2.73 0.20 0.00 0.08 -0.91 -4.93 117.98 112.02 1b85 s PHE 81 Ca 0.08 1.41 -0.11 0.00 0.12 0.00 0.00 56.93 58.42 1b85 s PHE 81 Cb 0.15 -3.67 0.18 0.00 -0.57 0.00 0.00 43.02 39.10 1b85 s PHE 81 CO 0.71 -2.19 1.81 1.25 -0.10 0.00 0.00 175.22 176.69 1b85 h HIS 82 N 2.42 0.63 0.00 0.36 2.76 -1.89 -0.59 115.15 118.85 1b85 h HIS 82 Ca -0.50 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.68 1b85 h HIS 82 Cb 1.25 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 30.02 1b85 h HIS 82 CO 0.52 0.33 -0.05 -1.35 -1.30 0.00 0.00 177.93 176.08 1b85 h PRO 83 N 0.65 0.00 -0.61 5.26 0.11 -1.91 -2.60 132.00 132.91 1b85 h PRO 83 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1b85 h PRO 83 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1b85 h PRO 83 CO -0.15 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 177.78 1b85 n ASN 84 N -3.55 3.54 -4.68 -2.05 3.02 -0.23 -4.99 115.26 106.31 1b85 n ASN 84 Ca -0.02 -2.29 -0.43 0.00 -0.03 0.00 0.00 54.58 51.81 1b85 n ASN 84 Cb 0.15 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1b85 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b85 n ILE 85 N 0.81 1.66 -0.71 2.41 0.13 -0.98 -1.68 119.36 120.99 1b85 n ILE 85 Ca 0.19 -0.41 0.00 0.00 -1.10 0.00 0.00 62.75 61.42 1b85 n ILE 85 Cb 0.66 -1.47 0.00 0.00 -0.84 0.00 0.00 39.64 37.99 1b85 n ILE 85 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1b85 n GLY 86 N 1.27 1.45 0.10 4.50 0.00 -1.26 -4.92 105.19 106.32 1b85 n GLY 86 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1b85 n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b85 n LEU 87 N 0.00 0.76 0.24 0.99 4.77 -0.68 -3.56 117.00 119.52 1b85 n LEU 87 Ca 0.00 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.63 1b85 n LEU 87 Cb 0.00 -0.32 0.58 0.00 -2.33 0.00 0.00 43.42 41.35 1b85 n LEU 87 CO 0.00 -0.16 0.89 -0.78 -1.33 0.00 0.00 177.39 176.00 1b85 h ASP 88 N 0.00 0.00 0.09 -1.43 3.58 -1.86 -1.94 116.42 114.86 1b85 h ASP 88 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1b85 h ASP 88 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1b85 h ASP 88 CO 0.00 0.20 -0.04 -0.08 -2.88 0.00 0.00 179.24 176.44 1b85 h GLU 89 N 0.00 -0.12 -0.07 0.28 4.22 -1.78 -0.53 114.58 116.59 1b85 h GLU 89 Ca -0.00 0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.30 1b85 h GLU 89 Cb 0.46 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1b85 h GLU 89 CO 0.03 -0.07 -0.62 0.97 -2.18 0.00 0.00 179.01 177.14 1b85 h ILE 90 N -0.13 1.39 -0.47 2.32 6.09 -1.68 -2.45 117.51 122.59 1b85 h ILE 90 Ca -0.01 -2.01 0.02 0.00 -1.37 0.00 0.00 64.86 61.49 1b85 h ILE 90 Cb 0.10 2.02 -0.03 0.00 0.47 0.00 0.00 36.82 39.38 1b85 h ILE 90 CO 0.02 0.59 0.27 0.58 -3.07 0.00 0.00 178.15 176.55 1b85 h VAL 91 N 0.19 1.04 -0.30 2.19 2.07 -1.17 -0.93 116.25 119.34 1b85 h VAL 91 Ca -0.01 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1b85 h VAL 91 Cb 1.13 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1b85 h VAL 91 CO 0.10 0.10 -0.00 0.11 0.02 0.00 0.00 177.57 177.89 1b85 h LYS 92 N 0.55 0.46 -0.14 1.57 1.57 -0.97 -0.80 116.57 118.81 1b85 h LYS 92 Ca 0.19 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1b85 h LYS 92 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1b85 h LYS 92 CO -0.09 0.49 -0.47 -0.07 -0.57 0.00 0.00 179.45 178.74 1b85 h LEU 93 N 0.45 0.38 0.02 2.94 3.38 -0.94 -3.27 115.31 118.27 1b85 h LEU 93 Ca 0.10 -0.18 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 1b85 h LEU 93 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1b85 h LEU 93 CO 0.01 0.79 -1.09 1.56 0.09 0.00 0.00 178.44 179.80 1b85 h GLN 94 N 0.28 0.13 -0.69 1.13 4.20 -0.80 -3.39 115.11 115.97 1b85 h GLN 94 Ca 0.02 -0.21 0.14 0.00 0.06 0.00 0.00 58.65 58.65 1b85 h GLN 94 Cb 0.94 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.70 1b85 h GLN 94 CO 0.08 1.09 0.18 0.87 -0.67 0.00 0.00 178.83 180.38 1b85 h LYS 95 N 0.04 0.29 0.00 1.46 1.57 -1.20 -1.03 116.57 117.70 1b85 h LYS 95 Ca -0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1b85 h LYS 95 Cb 1.83 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 34.07 1b85 h LYS 95 CO 0.16 0.19 -0.11 -1.35 -0.57 0.00 0.00 179.45 177.78 1b85 h PRO 96 N 0.30 0.00 -0.10 3.15 0.11 -1.76 -1.77 132.00 131.92 1b85 h PRO 96 Ca 0.38 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.34 1b85 h PRO 96 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1b85 h PRO 96 CO -0.45 0.11 -0.60 0.74 -0.21 0.00 0.00 178.00 177.59 1b85 h PHE 97 N 0.00 0.45 -0.14 0.65 0.04 -1.43 -1.54 116.94 114.96 1b85 h PHE 97 Ca -0.00 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.57 1b85 h PHE 97 Cb 0.25 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 1b85 h PHE 97 CO 0.00 0.86 -0.01 0.28 -0.60 0.00 0.00 178.31 178.83 1b85 h VAL 98 N 0.26 1.27 -0.48 -0.55 2.07 -1.29 -1.67 116.25 115.86 1b85 h VAL 98 Ca -0.00 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1b85 h VAL 98 Cb 1.12 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1b85 h VAL 98 CO 0.10 0.26 0.31 -0.61 0.02 0.00 0.00 177.57 177.65 1b85 h GLN 99 N -0.02 0.62 -0.23 1.57 4.15 -1.37 -1.05 115.11 118.78 1b85 h GLN 99 Ca 0.04 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 1b85 h GLN 99 Cb 0.41 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1b85 h GLN 99 CO 0.01 0.41 -0.27 -0.22 -1.93 0.00 0.00 178.83 176.83 1b85 h LYS 100 N 0.63 0.44 -0.01 1.69 3.64 -1.18 -3.12 116.57 118.66 1b85 h LYS 100 Ca 0.18 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1b85 h LYS 100 Cb -0.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1b85 h LYS 100 CO -0.04 0.68 -0.47 0.72 -2.27 0.00 0.00 179.45 178.06 1b85 n HIS 101 N -4.11 0.00 -2.56 1.91 8.25 -0.64 -4.99 115.22 113.08 1b85 n HIS 101 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1b85 n HIS 101 Cb 0.41 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.53 1b85 n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b85 n GLY 102 N 1.42 -0.15 3.89 -1.41 0.00 -0.41 -5.03 105.19 103.50 1b85 n GLY 102 Ca 0.09 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1b85 n GLY 102 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b85 s VAL 103 N -2.85 3.55 0.40 1.61 -7.23 -1.23 -5.09 120.40 109.56 1b85 s VAL 103 Ca 0.12 -1.28 -0.23 0.00 -1.81 0.00 0.00 61.98 58.79 1b85 s VAL 103 Cb -0.05 -3.21 -0.10 0.00 0.56 0.00 0.00 36.38 33.58 1b85 s VAL 103 CO 0.15 -0.15 0.98 0.42 -0.31 0.00 0.00 175.10 176.19 1b85 s THR 104 N -2.30 4.16 0.27 5.32 -4.23 -1.26 -4.87 115.64 112.74 1b85 s THR 104 Ca 0.43 1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 62.43 1b85 s THR 104 Cb -0.06 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.35 1b85 s THR 104 CO 0.28 -0.14 1.86 -0.65 -0.54 0.00 0.00 174.62 175.43 1b85 h PRO 105 N 2.29 1.06 -0.29 3.99 0.11 -1.90 0.60 132.00 137.86 1b85 h PRO 105 Ca -0.48 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.41 1b85 h PRO 105 Cb 1.19 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1b85 h PRO 105 CO 0.62 0.70 -0.42 0.78 -0.21 0.00 0.00 178.00 179.47 1b85 h GLY 106 N 1.09 0.79 1.33 -0.55 0.00 -1.81 -1.32 103.07 102.60 1b85 h GLY 106 Ca 0.46 -0.81 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1b85 h GLY 106 CO -0.21 0.73 -0.28 -0.55 0.00 0.00 0.00 176.54 176.23 1b85 h ASP 107 N 0.58 0.78 -0.43 0.19 3.32 -1.68 -2.37 116.42 116.81 1b85 h ASP 107 Ca 0.04 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1b85 h ASP 107 Cb 0.97 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1b85 h ASP 107 CO 0.09 1.02 0.18 0.15 -1.72 0.00 0.00 179.24 178.96 1b85 h PHE 108 N 0.65 0.65 -0.88 4.55 3.57 -0.62 -0.01 116.94 124.84 1b85 h PHE 108 Ca 0.08 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1b85 h PHE 108 Cb 0.81 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 1b85 h PHE 108 CO 0.04 0.55 0.57 0.82 -2.23 0.00 0.00 178.31 178.07 1b85 h ILE 109 N 0.55 1.15 -0.36 1.41 2.04 -1.16 0.26 117.51 121.40 1b85 h ILE 109 Ca 0.14 -0.38 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1b85 h ILE 109 Cb 0.17 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1b85 h ILE 109 CO -0.01 0.20 -0.34 0.00 0.00 0.00 0.00 178.15 178.00 1b85 h ALA 110 N 1.36 0.71 0.03 1.87 0.00 -1.16 -1.69 119.26 120.39 1b85 h ALA 110 Ca 0.35 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1b85 h ALA 110 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1b85 h ALA 110 CO -0.12 0.66 -0.01 0.35 0.00 0.00 0.00 179.25 180.13 1b85 h PHE 111 N 0.69 -0.04 -0.44 0.00 3.57 -0.66 -2.32 116.94 117.74 1b85 h PHE 111 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1b85 h PHE 111 Cb 0.90 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1b85 h PHE 111 CO 0.05 0.16 0.22 0.00 -2.23 0.00 0.00 178.31 176.51 1b85 h ALA 112 N 0.73 1.55 -0.29 2.41 0.00 -0.92 0.13 119.26 122.88 1b85 h ALA 112 Ca -0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1b85 h ALA 112 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1b85 h ALA 112 CO 0.01 0.36 -0.46 0.78 0.00 0.00 0.00 179.25 179.94 1b85 h GLY 113 N 0.72 0.83 0.94 0.00 0.00 -1.22 0.31 103.07 104.64 1b85 h GLY 113 Ca 0.16 -0.89 -0.12 0.00 0.00 0.00 0.00 47.33 46.48 1b85 h GLY 113 CO -0.02 0.80 -0.30 0.00 0.00 0.00 0.00 176.54 177.02 1b85 h ALA 114 N 0.88 0.38 -0.66 3.60 0.00 -0.83 -1.96 119.26 120.66 1b85 h ALA 114 Ca 0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1b85 h ALA 114 Cb 1.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1b85 h ALA 114 CO 0.10 0.40 0.25 0.28 0.00 0.00 0.00 179.25 180.27 1b85 h VAL 115 N 0.36 1.24 -0.60 0.00 2.07 -0.71 -1.72 116.25 116.89 1b85 h VAL 115 Ca 0.03 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 66.87 1b85 h VAL 115 Cb 0.87 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1b85 h VAL 115 CO 0.07 0.31 0.21 0.00 0.02 0.00 0.00 177.57 178.18 1b85 h ALA 116 N 1.10 0.77 -0.19 1.67 0.00 -0.83 -2.03 119.26 119.75 1b85 h ALA 116 Ca 0.22 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1b85 h ALA 116 Cb 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1b85 h ALA 116 CO -0.01 -0.21 -0.36 -0.07 0.00 0.00 0.00 179.25 178.60 1b85 h LEU 117 N 0.39 0.43 -2.45 0.00 3.38 -1.06 -2.02 115.31 113.97 1b85 h LEU 117 Ca 0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1b85 h LEU 117 Cb 0.39 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1b85 h LEU 117 CO -0.32 0.76 -0.02 0.77 0.09 0.00 0.00 178.44 179.72 1b85 h SER 118 N 0.35 0.00 1.32 -0.43 4.64 -0.61 -0.02 113.55 118.80 1b85 h SER 118 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1b85 h SER 118 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1b85 h SER 118 CO 0.06 0.02 0.00 0.78 -0.87 0.00 0.00 176.83 176.83 1b85 h ASN 119 N 0.00 0.00 -3.64 4.97 -0.26 -0.94 -3.39 115.58 112.33 1b85 h ASN 119 Ca -0.00 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 55.09 1b85 h ASN 119 Cb 0.07 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.17 1b85 h ASN 119 CO 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 177.43 176.23 1b85 n PRO 121 N 5.57 1.16 0.00 0.00 -0.02 -1.26 -1.95 135.00 138.51 1b85 n PRO 121 Ca -0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1b85 n PRO 121 Cb 0.49 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1b85 n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b85 n GLY 122 N 1.66 2.48 3.72 -1.23 0.00 0.67 -1.01 105.19 111.48 1b85 n GLY 122 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1b85 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b85 s ALA 123 N -2.53 1.88 0.93 4.61 0.00 -0.82 -4.81 121.76 121.02 1b85 s ALA 123 Ca 0.00 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 1b85 s ALA 123 Cb 0.00 -3.37 0.15 0.00 0.00 0.00 0.00 23.12 19.90 1b85 s ALA 123 CO 0.00 -2.24 1.12 -2.14 0.00 0.00 0.00 175.76 172.50 1b85 s PRO 124 N -4.73 1.00 -0.51 0.00 0.02 -1.26 -4.75 135.00 124.78 1b85 s PRO 124 Ca 0.64 0.43 -0.28 0.00 0.02 0.00 0.00 61.00 61.81 1b85 s PRO 124 Cb -0.20 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.52 1b85 s PRO 124 CO 0.56 -2.32 1.38 -1.14 -0.33 0.00 0.00 177.00 175.15 1b85 s GLN 125 N -5.14 3.43 0.29 5.54 2.00 -1.26 -4.73 119.66 119.80 1b85 s GLN 125 Ca 0.64 0.61 -0.17 0.00 -2.00 0.00 0.00 55.36 54.44 1b85 s GLN 125 Cb -0.16 -4.07 -0.09 0.00 0.80 0.00 0.00 33.01 29.49 1b85 s GLN 125 CO 0.55 -1.76 0.75 -1.64 -0.50 0.00 0.00 175.29 172.69 1b85 s MET 126 N 5.21 4.11 0.43 1.67 -1.94 -1.26 -4.99 119.30 122.53 1b85 s MET 126 Ca 0.55 0.78 0.00 0.00 -1.71 0.00 0.00 55.69 55.30 1b85 s MET 126 Cb -0.11 -2.58 -0.01 0.00 2.01 0.00 0.00 34.83 34.14 1b85 s MET 126 CO 0.28 0.23 0.65 -0.80 -0.01 0.00 0.00 175.02 175.37 1b85 s ASN 127 N -2.05 5.92 -0.22 3.03 0.01 -1.26 -4.80 114.94 115.57 1b85 s ASN 127 Ca 0.51 0.31 -0.06 0.00 -0.71 0.00 0.00 52.86 52.91 1b85 s ASN 127 Cb -0.12 -1.61 0.11 0.00 0.41 0.00 0.00 41.25 40.03 1b85 s ASN 127 CO 0.18 -0.63 0.44 0.12 -1.51 0.00 0.00 177.10 175.71 1b85 s PHE 128 N -2.51 -0.90 0.11 2.20 5.36 -1.26 -4.86 117.98 116.12 1b85 s PHE 128 Ca 0.47 1.42 0.08 0.00 -0.96 0.00 0.00 56.93 57.95 1b85 s PHE 128 Cb -0.10 0.29 -0.04 0.00 -0.34 0.00 0.00 43.02 42.83 1b85 s PHE 128 CO 0.38 -0.58 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.34 1b85 s PHE 129 N 2.64 2.62 0.30 10.12 0.40 -1.26 -0.74 117.98 132.05 1b85 s PHE 129 Ca 0.03 -0.22 0.10 0.00 -0.60 0.00 0.00 56.93 56.24 1b85 s PHE 129 Cb -0.13 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 1b85 s PHE 129 CO -0.15 0.41 -0.02 0.95 0.70 0.00 0.00 175.22 177.11 1b85 s THR 130 N -1.19 2.95 0.00 0.64 -4.23 -0.10 -4.91 115.64 108.80 1b85 s THR 130 Ca 0.20 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1b85 s THR 130 Cb -0.11 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1b85 s THR 130 CO 0.12 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1b85 n GLY 131 N -0.89 1.22 3.55 3.99 0.00 -1.26 -1.56 105.19 110.23 1b85 n GLY 131 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1b85 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b85 s ARG 132 N 0.00 3.55 0.73 1.61 0.52 -1.26 -4.98 118.95 119.12 1b85 s ARG 132 Ca 0.00 -0.16 -0.13 0.00 -0.52 0.00 0.00 55.73 54.92 1b85 s ARG 132 Cb 0.00 -3.84 0.04 0.00 0.52 0.00 0.00 34.95 31.66 1b85 s ARG 132 CO 0.00 -0.75 1.13 0.00 0.02 0.00 0.00 175.30 175.70 1b85 s ALA 133 N 2.56 2.24 0.31 2.13 0.00 -1.26 -4.51 121.76 123.23 1b85 s ALA 133 Ca 0.21 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 1b85 s ALA 133 Cb -0.15 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 1b85 s ALA 133 CO 0.15 -1.67 1.41 -2.14 0.00 0.00 0.00 175.76 173.51 1b85 s PRO 134 N -4.31 4.25 0.57 0.00 0.02 -1.26 -4.78 135.00 129.49 1b85 s PRO 134 Ca 0.67 2.35 -0.20 0.00 0.02 0.00 0.00 61.00 63.85 1b85 s PRO 134 Cb -0.22 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.19 1b85 s PRO 134 CO 0.47 -0.38 1.03 0.00 -0.33 0.00 0.00 177.00 177.80 1b85 n ALA 135 N 1.36 0.39 0.06 -1.55 0.00 -0.65 -4.96 120.51 115.16 1b85 n ALA 135 Ca 0.03 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1b85 n ALA 135 Cb 0.40 -2.14 -0.15 0.00 0.00 0.00 0.00 19.45 17.56 1b85 n ALA 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1b85 n THR 136 N -1.50 0.00 -3.88 0.00 -2.24 -1.26 -4.96 114.28 100.44 1b85 n THR 136 Ca 0.13 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 1b85 n THR 136 Cb 0.46 0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 1b85 n THR 136 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1b85 s GLN 137 N -3.31 0.43 0.78 -0.78 -0.21 -1.26 -5.15 119.66 110.16 1b85 s GLN 137 Ca -0.06 -0.35 -0.13 0.00 0.02 0.00 0.00 55.36 54.83 1b85 s GLN 137 Cb 0.13 0.18 0.07 0.00 1.00 0.00 0.00 33.01 34.38 1b85 s GLN 137 CO 0.81 -0.10 1.19 -1.25 -2.12 0.00 0.00 175.29 173.82 1b85 s PRO 138 N -1.23 1.84 0.53 2.91 0.04 -1.26 -4.79 135.00 133.04 1b85 s PRO 138 Ca -0.13 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 1b85 s PRO 138 Cb -0.07 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1b85 s PRO 138 CO 0.01 -2.05 1.04 0.00 0.04 0.00 0.00 177.00 176.05 1b85 s ALA 139 N -2.21 2.83 0.75 8.56 0.00 -1.26 -4.80 121.76 125.63 1b85 s ALA 139 Ca 0.72 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 53.05 1b85 s ALA 139 Cb -0.27 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.66 1b85 s ALA 139 CO 0.49 -0.51 1.12 -2.14 0.00 0.00 0.00 175.76 174.73 1b85 s PRO 140 N -3.62 2.25 0.83 0.00 0.02 -1.26 -4.88 135.00 128.33 1b85 s PRO 140 Ca 0.65 1.38 -0.12 0.00 0.02 0.00 0.00 61.00 62.93 1b85 s PRO 140 Cb -0.16 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.57 1b85 s PRO 140 CO 0.27 -1.68 1.19 0.34 -0.33 0.00 0.00 177.00 176.79 1b85 s ASP 141 N -2.82 4.32 0.00 2.53 -1.08 -1.26 -4.31 116.67 114.05 1b85 s ASP 141 Ca 0.66 0.76 0.00 0.00 -0.52 0.00 0.00 52.55 53.45 1b85 s ASP 141 Cb -0.21 -1.23 0.00 0.00 -1.46 0.00 0.00 42.92 40.02 1b85 s ASP 141 CO 0.50 -2.02 0.00 0.61 0.52 0.00 0.00 175.17 174.78 1b85 n GLY 142 N -3.25 0.71 0.00 2.66 0.00 -1.26 -4.95 105.19 99.11 1b85 n GLY 142 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1b85 n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b85 n LEU 143 N 0.00 0.30 -4.60 0.99 4.77 -1.26 -4.92 117.00 112.29 1b85 n LEU 143 Ca 0.00 -0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.38 1b85 n LEU 143 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1b85 n LEU 143 CO 0.00 0.08 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.22 1b85 s VAL 144 N -2.61 4.93 0.69 4.08 1.01 -1.26 -4.67 120.40 122.57 1b85 s VAL 144 Ca -0.00 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 1b85 s VAL 144 Cb 0.09 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1b85 s VAL 144 CO 0.56 0.37 1.23 -2.65 0.00 0.00 0.00 175.10 174.61 1b85 n PRO 145 N 4.24 0.84 -4.27 2.72 -0.02 -1.26 -4.80 135.00 132.45 1b85 n PRO 145 Ca -0.16 0.35 -0.24 0.00 -2.02 0.00 0.00 63.50 61.43 1b85 n PRO 145 Cb 0.52 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 1b85 n PRO 145 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1b85 s GLU 146 N -3.52 2.34 0.56 -0.52 0.41 -1.26 -4.92 118.70 111.79 1b85 s GLU 146 Ca 0.80 -1.33 0.34 0.00 -0.41 0.00 0.00 54.97 54.36 1b85 s GLU 146 Cb -0.36 -2.22 1.56 0.00 -1.78 0.00 0.00 34.13 31.33 1b85 s GLU 146 CO 0.44 0.39 2.06 -1.00 -0.49 0.00 0.00 175.26 176.66 1b85 h PRO 147 N 2.06 0.00 -0.16 0.39 0.13 -1.95 -2.36 132.00 130.11 1b85 h PRO 147 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1b85 h PRO 147 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1b85 h PRO 147 CO 0.59 0.05 0.00 1.97 -0.23 0.00 0.00 178.00 180.38 1b85 n PHE 148 N -3.22 0.19 -1.71 1.56 1.16 -1.26 -1.95 117.46 112.24 1b85 n PHE 148 Ca -0.01 -0.10 -0.33 0.00 -1.87 0.00 0.00 57.45 55.14 1b85 n PHE 148 Cb 0.26 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.18 1b85 n PHE 148 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 1b85 s HIS 149 N -1.81 2.48 0.73 2.97 3.76 -0.89 -5.02 115.29 117.52 1b85 s HIS 149 Ca 0.34 1.56 -0.11 0.00 -0.15 0.00 0.00 55.06 56.70 1b85 s HIS 149 Cb 0.21 -3.25 0.03 0.00 1.11 0.00 0.00 32.58 30.67 1b85 s HIS 149 CO 0.30 -1.91 1.07 0.95 -0.85 0.00 0.00 174.74 174.31 1b85 s THR 150 N -2.21 3.69 0.25 1.30 -4.23 -1.26 -4.76 115.64 108.42 1b85 s THR 150 Ca 0.69 0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 61.70 1b85 s THR 150 Cb -0.23 -3.20 0.22 0.00 1.34 0.00 0.00 72.50 70.63 1b85 s THR 150 CO 0.41 -0.72 1.88 0.58 -0.54 0.00 0.00 174.62 176.23 1b85 h VAL 151 N -0.91 1.25 -0.53 2.29 2.07 -1.95 -1.96 116.25 116.51 1b85 h VAL 151 Ca -0.44 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1b85 h VAL 151 Cb 1.22 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1b85 h VAL 151 CO 0.55 0.28 0.33 0.44 0.02 0.00 0.00 177.57 179.19 1b85 h ASP 152 N 1.20 0.54 -0.65 0.57 3.32 -1.99 -0.61 116.42 118.80 1b85 h ASP 152 Ca 0.30 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 1b85 h ASP 152 Cb 0.02 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1b85 h ASP 152 CO -0.05 0.39 0.23 -0.61 -1.72 0.00 0.00 179.24 177.48 1b85 h GLN 153 N 0.66 0.98 -0.39 3.56 4.15 -1.80 -1.52 115.11 120.76 1b85 h GLN 153 Ca 0.21 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.33 1b85 h GLN 153 Cb -0.01 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1b85 h GLN 153 CO -0.08 0.84 -0.19 0.82 -1.93 0.00 0.00 178.83 178.29 1b85 h ILE 154 N 0.92 1.28 -0.26 2.39 2.04 -1.06 -0.76 117.51 122.06 1b85 h ILE 154 Ca 0.21 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1b85 h ILE 154 Cb 0.25 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1b85 h ILE 154 CO -0.01 0.44 0.17 0.40 0.00 0.00 0.00 178.15 179.15 1b85 h ILE 155 N 0.62 1.06 -0.84 -0.67 2.04 -1.00 -1.73 117.51 116.97 1b85 h ILE 155 Ca 0.09 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1b85 h ILE 155 Cb 0.75 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1b85 h ILE 155 CO 0.06 0.06 0.45 0.78 0.00 0.00 0.00 178.15 179.50 1b85 h ASN 156 N 0.34 1.07 -0.48 1.72 -0.26 -1.15 -2.18 115.58 114.64 1b85 h ASN 156 Ca 0.10 -0.11 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1b85 h ASN 156 Cb -0.03 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 36.94 1b85 h ASN 156 CO -0.03 0.87 0.19 -0.09 -1.06 0.00 0.00 177.43 177.32 1b85 h ARG 157 N 1.18 0.72 0.00 0.81 9.65 -0.84 -1.30 114.38 124.60 1b85 h ARG 157 Ca 0.30 -0.13 -0.10 0.00 -1.10 0.00 0.00 59.98 58.95 1b85 h ARG 157 Cb 0.05 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1b85 h ARG 157 CO -0.04 0.65 -0.46 -0.39 2.80 0.00 0.00 179.97 182.53 1b85 h VAL 158 N 0.64 0.98 -0.29 0.20 -1.51 -1.18 -1.36 116.25 113.74 1b85 h VAL 158 Ca 0.16 -1.81 -0.07 0.00 -1.23 0.00 0.00 66.70 63.75 1b85 h VAL 158 Cb 0.19 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 1b85 h VAL 158 CO -0.01 0.45 -0.10 -1.13 -1.23 0.00 0.00 177.57 175.55 1b85 h ASN 159 N 0.00 0.58 -0.08 4.19 -1.24 -1.28 -2.17 115.58 115.59 1b85 h ASN 159 Ca -0.00 -0.38 -0.00 0.00 0.71 0.00 0.00 56.30 56.62 1b85 h ASN 159 Cb 1.05 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.94 1b85 h ASN 159 CO 0.06 0.84 0.04 -0.78 -1.29 0.00 0.00 177.43 176.30 1b85 h ASP 160 N 0.32 0.10 -0.38 1.15 3.58 -1.07 0.18 116.42 120.31 1b85 h ASP 160 Ca 0.07 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1b85 h ASP 160 Cb 0.60 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1b85 h ASP 160 CO 0.03 0.17 0.24 0.00 -2.88 0.00 0.00 179.24 176.81 1b85 h ALA 161 N 0.93 0.48 0.00 -0.78 0.00 -1.23 -3.39 119.26 115.27 1b85 h ALA 161 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b85 h ALA 161 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1b85 h ALA 161 CO -0.00 -0.05 -0.13 0.41 0.00 0.00 0.00 179.25 179.48 1b85 n GLY 162 N -1.15 -1.78 2.51 0.00 0.00 -0.84 -4.85 105.19 99.08 1b85 n GLY 162 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1b85 n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b85 n GLU 163 N 0.00 -2.32 -2.82 1.61 1.02 0.63 -4.97 120.64 113.79 1b85 n GLU 163 Ca 0.00 0.93 -0.40 0.00 -0.02 0.00 0.00 57.16 57.67 1b85 n GLU 163 Cb 0.55 -5.56 -0.06 0.00 -0.02 0.00 0.00 31.44 26.35 1b85 n GLU 163 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1b85 s PHE 164 N -3.02 3.96 0.26 -0.32 0.08 -1.06 -4.90 117.98 112.97 1b85 s PHE 164 Ca 0.07 1.82 0.01 0.00 0.12 0.00 0.00 56.93 58.96 1b85 s PHE 164 Cb -0.03 -2.91 0.05 0.00 -0.57 0.00 0.00 43.02 39.55 1b85 s PHE 164 CO 0.09 0.47 0.35 -0.40 -0.10 0.00 0.00 175.22 175.63 1b85 n ASP 165 N 1.56 0.59 0.21 1.36 5.68 -1.26 -3.13 116.55 121.55 1b85 n ASP 165 Ca -0.03 -1.47 0.08 0.00 -0.50 0.00 0.00 54.79 52.87 1b85 n ASP 165 Cb 0.48 -0.22 0.44 0.00 -1.14 0.00 0.00 41.12 40.67 1b85 n ASP 165 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1b85 h GLU 166 N 0.00 0.00 -0.12 0.11 4.11 -1.97 -2.14 114.58 114.58 1b85 h GLU 166 Ca -0.12 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.12 1b85 h GLU 166 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1b85 h GLU 166 CO 0.14 0.29 -0.66 -0.07 0.07 0.00 0.00 179.01 178.78 1b85 h LEU 167 N 0.00 0.79 -1.58 3.06 3.38 -1.94 -3.04 115.31 115.98 1b85 h LEU 167 Ca -0.00 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.28 1b85 h LEU 167 Cb 0.74 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1b85 h LEU 167 CO 0.04 1.31 -0.21 -0.33 0.09 0.00 0.00 178.44 179.33 1b85 h GLU 168 N 0.32 0.00 -0.76 1.13 5.08 -1.83 -1.53 114.58 116.99 1b85 h GLU 168 Ca -0.05 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1b85 h GLU 168 Cb 1.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1b85 h GLU 168 CO 0.14 0.21 0.49 1.25 -1.00 0.00 0.00 179.01 180.10 1b85 h LEU 169 N 0.00 0.84 -0.70 1.33 5.85 -1.35 -1.46 115.31 119.82 1b85 h LEU 169 Ca -0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1b85 h LEU 169 Cb 0.38 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1b85 h LEU 169 CO 0.03 0.59 0.13 0.58 -0.34 0.00 0.00 178.44 179.43 1b85 h VAL 170 N 0.99 1.26 -0.79 1.05 2.07 -1.19 -2.66 116.25 116.97 1b85 h VAL 170 Ca 0.29 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1b85 h VAL 170 Cb -0.06 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1b85 h VAL 170 CO -0.08 0.39 0.46 -0.26 0.02 0.00 0.00 177.57 178.09 1b85 h PHE 171 N 1.07 1.07 0.00 1.57 0.04 -0.74 -2.46 116.94 117.47 1b85 h PHE 171 Ca 0.21 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.91 1b85 h PHE 171 Cb 0.42 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1b85 h PHE 171 CO 0.03 0.73 -0.26 0.00 -0.60 0.00 0.00 178.31 178.21 1b85 h MET 172 N 1.09 0.00 0.00 1.51 -0.00 -1.15 -2.64 114.93 113.75 1b85 h MET 172 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.98 1b85 h MET 172 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1b85 h MET 172 CO -0.05 0.26 0.00 1.28 -0.00 0.00 0.00 176.91 178.40 1b85 n LEU 173 N -3.33 0.00 0.27 -0.10 4.77 -0.93 -2.80 117.00 114.88 1b85 n LEU 173 Ca 0.01 0.18 0.18 0.00 -0.03 0.00 0.00 56.01 56.34 1b85 n LEU 173 Cb 0.49 -0.18 0.94 0.00 -2.33 0.00 0.00 43.42 42.35 1b85 n LEU 173 CO 0.35 -0.06 1.15 0.28 -1.33 0.00 0.00 177.39 177.77 1b85 h SER 174 N 0.00 0.00 -0.01 -1.43 0.02 -1.50 -0.68 113.55 109.96 1b85 h SER 174 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b85 h SER 174 Cb 0.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1b85 h SER 174 CO 0.00 0.00 0.03 0.00 -1.14 0.00 0.00 176.83 175.72 1b85 h ALA 175 N 1.84 1.20 0.00 3.77 0.00 -1.77 -0.43 119.26 123.87 1b85 h ALA 175 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1b85 h ALA 175 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1b85 h ALA 175 CO -0.00 -0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1b85 n HIS 176 N -3.32 0.00 0.48 0.00 -0.00 -0.26 -1.99 115.22 110.13 1b85 n HIS 176 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.82 1b85 n HIS 176 Cb 0.10 -0.13 0.46 0.00 -0.00 0.00 0.00 29.99 30.43 1b85 n HIS 176 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1b85 n SER 177 N -1.13 0.75 -3.31 0.41 2.88 -0.17 -3.94 113.62 109.11 1b85 n SER 177 Ca 0.12 0.64 -0.25 0.00 -1.33 0.00 0.00 58.87 58.04 1b85 n SER 177 Cb 0.10 -0.82 -0.08 0.00 -0.75 0.00 0.00 64.21 62.67 1b85 n SER 177 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1b85 n VAL 178 N -2.28 0.21 -3.53 2.46 0.24 -0.84 -4.27 118.33 110.33 1b85 n VAL 178 Ca 0.03 -4.33 -0.12 0.00 -2.04 0.00 0.00 64.34 57.88 1b85 n VAL 178 Cb 0.31 -1.98 -0.04 0.00 -1.47 0.00 0.00 33.84 30.65 1b85 n VAL 178 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b85 s ALA 179 N -1.43 -1.83 0.13 2.33 0.00 -1.25 -4.69 121.76 115.02 1b85 s ALA 179 Ca 0.36 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.56 1b85 s ALA 179 Cb 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1b85 s ALA 179 CO -0.09 -0.46 0.09 0.00 0.00 0.00 0.00 175.76 175.29 1b85 s ALA 180 N -1.85 0.74 -0.21 0.00 0.00 -1.26 -1.87 121.76 117.31 1b85 s ALA 180 Ca -0.03 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 1b85 s ALA 180 Cb -0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1b85 s ALA 180 CO 0.00 -0.51 -0.09 0.08 0.00 0.00 0.00 175.76 175.24 1b85 s VAL 181 N -4.04 2.92 -0.15 0.00 1.01 0.11 -4.87 120.40 115.38 1b85 s VAL 181 Ca 0.23 -0.68 0.16 0.00 0.00 0.00 0.00 61.98 61.69 1b85 s VAL 181 Cb 0.07 -2.32 -0.23 0.00 0.00 0.00 0.00 36.38 33.90 1b85 s VAL 181 CO 0.01 0.44 0.11 0.59 0.00 0.00 0.00 175.10 176.25 1b85 n ASN 182 N 4.73 0.67 -0.09 3.32 3.02 -1.26 -1.53 115.26 124.11 1b85 n ASN 182 Ca -0.19 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.37 1b85 n ASN 182 Cb 0.50 1.06 0.02 0.00 -0.61 0.00 0.00 39.78 40.75 1b85 n ASN 182 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1b85 n ASP 183 N -2.58 1.69 -0.01 6.41 8.00 -1.26 -4.48 116.55 124.32 1b85 n ASP 183 Ca -0.25 -1.57 -0.19 0.00 0.71 0.00 0.00 54.79 53.49 1b85 n ASP 183 Cb 0.99 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.93 1b85 n ASP 183 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1b85 h VAL 184 N 0.36 1.39 -3.58 2.53 2.07 -1.90 -3.42 116.25 113.70 1b85 h VAL 184 Ca 0.00 -2.41 -0.69 0.00 0.82 0.00 0.00 66.70 64.42 1b85 h VAL 184 Cb 0.33 3.01 -0.19 0.00 -1.52 0.00 0.00 31.29 32.92 1b85 h VAL 184 CO 0.00 0.64 -0.28 -0.62 0.02 0.00 0.00 177.57 177.33 1b85 s ASP 185 N -6.78 6.17 0.25 0.57 -1.08 -1.26 -4.80 116.67 109.73 1b85 s ASP 185 Ca -0.18 -0.55 0.20 0.00 -0.52 0.00 0.00 52.55 51.50 1b85 s ASP 185 Cb 0.01 -2.20 0.96 0.00 -1.46 0.00 0.00 42.92 40.23 1b85 s ASP 185 CO 0.75 -0.46 1.61 -0.81 0.52 0.00 0.00 175.17 176.78 1b85 n PRO 186 N 5.44 0.14 0.00 4.34 -0.04 -1.26 -2.89 135.00 140.73 1b85 n PRO 186 Ca -0.09 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 63.99 1b85 n PRO 186 Cb 0.48 -1.86 -0.05 0.00 -0.04 0.00 0.00 33.50 32.04 1b85 n PRO 186 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1b85 n THR 187 N -2.14 0.00 -3.69 0.52 -2.24 -1.26 -4.93 114.28 100.55 1b85 n THR 187 Ca 0.00 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1b85 n THR 187 Cb 0.12 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.08 1b85 n THR 187 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b85 s VAL 188 N -3.01 -0.04 0.07 2.28 0.11 -1.14 -5.06 120.40 113.63 1b85 s VAL 188 Ca 0.08 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 1b85 s VAL 188 Cb 0.16 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1b85 s VAL 188 CO 0.84 0.03 0.17 -1.10 -3.33 0.00 0.00 175.10 171.71 1b85 s GLN 189 N 1.47 3.26 0.00 1.54 -0.21 -1.26 -4.58 119.66 119.87 1b85 s GLN 189 Ca -0.09 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1b85 s GLN 189 Cb -0.08 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 31.00 1b85 s GLN 189 CO -0.14 0.59 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 1b85 n GLY 190 N 0.27 1.07 3.67 3.09 0.00 -0.58 -4.64 105.19 108.07 1b85 n GLY 190 Ca -0.06 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1b85 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b85 s LEU 191 N 0.00 4.17 0.65 0.99 1.43 -0.76 -0.76 118.68 124.40 1b85 s LEU 191 Ca 0.00 1.12 -0.14 0.00 -1.03 0.00 0.00 54.13 54.08 1b85 s LEU 191 Cb 0.00 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 1b85 s LEU 191 CO 0.00 -0.39 1.09 -2.84 0.23 0.00 0.00 176.35 174.44 1b85 s PRO 192 N 2.14 2.92 0.33 1.29 0.02 -1.26 0.07 135.00 140.51 1b85 s PRO 192 Ca 0.37 1.28 0.19 0.00 0.02 0.00 0.00 61.00 62.86 1b85 s PRO 192 Cb -0.16 -1.97 0.16 0.00 0.02 0.00 0.00 34.50 32.54 1b85 s PRO 192 CO 0.12 -1.14 1.43 0.74 -0.33 0.00 0.00 177.00 177.82 1b85 h PHE 193 N -0.02 0.00 -4.61 6.54 0.04 -1.59 -1.36 116.94 115.94 1b85 h PHE 193 Ca -0.46 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.03 1b85 h PHE 193 Cb 1.23 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.24 1b85 h PHE 193 CO 0.57 0.24 -0.57 0.16 -0.60 0.00 0.00 178.31 178.11 1b85 s ASP 194 N -6.19 0.47 0.00 2.17 1.47 -1.26 -4.79 116.67 108.54 1b85 s ASP 194 Ca 0.04 -1.45 0.29 0.00 1.18 0.00 0.00 52.55 52.62 1b85 s ASP 194 Cb 0.07 0.43 1.75 0.00 -0.34 0.00 0.00 42.92 44.82 1b85 s ASP 194 CO 0.72 -0.90 2.09 -1.54 0.68 0.00 0.00 175.17 176.22 1b85 n SER 195 N -0.56 0.00 -3.11 2.11 3.41 -1.26 -3.95 113.62 110.26 1b85 n SER 195 Ca 0.03 -0.88 -0.24 0.00 -0.26 0.00 0.00 58.87 57.52 1b85 n SER 195 Cb 0.65 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1b85 n SER 195 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b85 n THR 196 N -1.02 1.60 0.49 6.66 -2.24 -1.26 -4.93 114.28 113.58 1b85 n THR 196 Ca 0.22 -5.07 0.06 0.00 -2.27 0.00 0.00 64.05 56.99 1b85 n THR 196 Cb 0.11 -1.20 0.28 0.00 -2.10 0.00 0.00 70.33 67.42 1b85 n THR 196 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1b85 n PRO 197 N 0.23 0.07 -0.33 -0.78 -0.04 -1.25 -1.50 135.00 131.40 1b85 n PRO 197 Ca 0.28 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 64.08 1b85 n PRO 197 Cb 0.49 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.73 1b85 n PRO 197 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b85 n GLY 198 N -0.23 2.59 3.01 0.55 0.00 -1.26 -3.92 105.19 105.94 1b85 n GLY 198 Ca 0.04 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1b85 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b85 s ILE 199 N -1.03 1.34 -0.69 -0.61 1.01 -0.56 -3.98 121.20 116.67 1b85 s ILE 199 Ca 0.42 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 1b85 s ILE 199 Cb 0.22 -1.25 0.04 0.00 0.01 0.00 0.00 42.46 41.48 1b85 s ILE 199 CO 0.28 0.41 1.19 0.12 0.00 0.00 0.00 174.94 176.94 1b85 s PHE 200 N 1.15 2.43 0.13 3.97 5.36 -0.18 -4.63 117.98 126.21 1b85 s PHE 200 Ca -0.04 -0.09 -0.01 0.00 -0.96 0.00 0.00 56.93 55.83 1b85 s PHE 200 Cb -0.14 -4.52 0.00 0.00 -0.34 0.00 0.00 43.02 38.02 1b85 s PHE 200 CO -0.03 -1.89 0.19 -0.40 -1.46 0.00 0.00 175.22 171.62 1b85 n ASP 201 N 8.82 -0.52 -1.62 6.13 5.68 -1.26 -4.39 116.55 129.39 1b85 n ASP 201 Ca 0.02 -1.70 0.08 0.00 -0.50 0.00 0.00 54.79 52.69 1b85 n ASP 201 Cb 0.48 0.97 0.35 0.00 -1.14 0.00 0.00 41.12 41.78 1b85 n ASP 201 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1b85 n SER 202 N -1.91 4.82 0.23 -1.12 7.64 -1.26 -4.44 113.62 117.58 1b85 n SER 202 Ca 0.00 -2.58 0.07 0.00 1.01 0.00 0.00 58.87 57.37 1b85 n SER 202 Cb 0.22 -0.60 0.56 0.00 -1.01 0.00 0.00 64.21 63.37 1b85 n SER 202 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1b85 h GLN 203 N 3.79 0.00 -0.89 1.43 1.08 -1.94 -0.78 115.11 117.80 1b85 h GLN 203 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1b85 h GLN 203 Cb 1.56 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.95 1b85 h GLN 203 CO 0.31 0.15 0.55 0.35 -0.95 0.00 0.00 178.83 179.24 1b85 h PHE 204 N 0.00 1.17 0.00 2.96 3.57 -1.88 0.89 116.94 123.64 1b85 h PHE 204 Ca -0.00 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 1b85 h PHE 204 Cb 0.28 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1b85 h PHE 204 CO 0.00 0.77 -0.83 0.74 -2.23 0.00 0.00 178.31 176.76 1b85 h PHE 205 N 1.23 0.03 0.02 0.41 0.04 -1.50 -2.09 116.94 115.07 1b85 h PHE 205 Ca 0.32 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.08 1b85 h PHE 205 Cb -0.07 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1b85 h PHE 205 CO 0.00 0.84 -0.01 0.28 -0.60 0.00 0.00 178.31 178.82 1b85 h VAL 206 N 0.01 1.36 0.00 -0.55 2.07 -0.90 -3.31 116.25 114.93 1b85 h VAL 206 Ca -0.01 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 1b85 h VAL 206 Cb 1.46 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 1b85 h VAL 206 CO 0.11 0.31 -0.45 -0.33 0.02 0.00 0.00 177.57 177.23 1b85 h GLU 207 N -0.55 0.00 0.00 1.57 5.08 -0.85 -2.16 114.58 117.66 1b85 h GLU 207 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b85 h GLU 207 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1b85 h GLU 207 CO 0.00 0.45 0.00 1.79 -1.00 0.00 0.00 179.01 180.25 1b85 h THR 208 N 0.00 0.00 0.00 1.13 1.35 -1.52 -2.86 112.91 111.01 1b85 h THR 208 Ca -0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1b85 h THR 208 Cb 1.08 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1b85 h THR 208 CO 0.06 0.00 -0.31 1.67 -0.25 0.00 0.00 175.52 176.69 1b85 n GLN 209 N -2.97 0.16 -2.03 4.72 -0.06 -0.82 -4.88 117.38 111.49 1b85 n GLN 209 Ca 0.02 0.08 -0.32 0.00 -2.00 0.00 0.00 57.00 54.77 1b85 n GLN 209 Cb 0.36 -1.63 0.01 0.00 -4.06 0.00 0.00 30.24 24.91 1b85 n GLN 209 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1b85 s LEU 210 N -3.76 3.47 0.30 1.69 1.43 -1.08 -0.84 118.68 119.89 1b85 s LEU 210 Ca 0.10 1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 54.68 1b85 s LEU 210 Cb 0.15 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 1b85 s LEU 210 CO 0.64 -1.13 1.36 -0.60 0.23 0.00 0.00 176.35 176.85 1b85 s ARG 211 N -4.17 4.32 0.17 1.70 3.52 0.11 -4.78 118.95 119.81 1b85 s ARG 211 Ca 0.63 2.25 -0.30 0.00 -0.13 0.00 0.00 55.73 58.18 1b85 s ARG 211 Cb -0.15 -3.09 -0.07 0.00 -1.56 0.00 0.00 34.95 30.08 1b85 s ARG 211 CO 0.38 -0.28 1.01 0.20 -0.81 0.00 0.00 175.30 175.80 1b85 s GLY 212 N -0.14 2.98 -0.01 8.12 0.00 -1.26 -4.32 107.32 112.69 1b85 s GLY 212 Ca 0.53 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.94 1b85 s GLY 212 CO 0.49 1.47 0.02 -1.30 0.00 0.00 0.00 173.10 173.78 1b85 n THR 213 N 2.30 0.05 -3.71 0.90 -2.24 0.35 -4.85 114.28 107.08 1b85 n THR 213 Ca 0.01 -0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 1b85 n THR 213 Cb 0.47 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 1b85 n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b85 s ALA 214 N -2.08 -1.51 0.08 6.98 0.00 -0.98 -4.96 121.76 119.28 1b85 s ALA 214 Ca -0.01 0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 1b85 s ALA 214 Cb 0.01 0.72 -0.06 0.00 0.00 0.00 0.00 23.12 23.79 1b85 s ALA 214 CO 0.06 -0.96 0.72 -0.06 0.00 0.00 0.00 175.76 175.53 1b85 s PHE 215 N -3.55 3.79 0.18 0.00 0.08 -1.26 -0.93 117.98 116.29 1b85 s PHE 215 Ca 0.09 1.46 0.23 0.00 0.12 0.00 0.00 56.93 58.84 1b85 s PHE 215 Cb -0.03 -2.74 0.95 0.00 -0.57 0.00 0.00 43.02 40.63 1b85 s PHE 215 CO 0.00 0.40 1.84 -1.00 -0.10 0.00 0.00 175.22 176.36 1b85 h PRO 216 N 5.12 0.00 0.00 0.24 0.13 -1.88 -3.46 132.00 132.16 1b85 h PRO 216 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1b85 h PRO 216 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1b85 h PRO 216 CO 0.68 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1b85 n GLY 217 N 0.04 2.74 3.93 1.56 0.00 -1.26 -4.62 105.19 107.58 1b85 n GLY 217 Ca -0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 1b85 n GLY 217 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b85 s SER 218 N 1.00 5.88 0.46 1.61 1.04 -1.26 -5.10 113.70 117.33 1b85 s SER 218 Ca 0.00 0.64 0.07 0.00 0.48 0.00 0.00 55.95 57.14 1b85 s SER 218 Cb 0.00 -1.82 -0.00 0.00 0.10 0.00 0.00 66.02 64.29 1b85 s SER 218 CO 0.00 -0.79 0.35 -0.83 0.98 0.00 0.00 173.24 172.95 1b85 s GLY 219 N -4.21 2.26 -0.49 7.32 0.00 -1.26 -4.69 107.32 106.25 1b85 s GLY 219 Ca 0.50 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1b85 s GLY 219 CO 0.43 -1.83 0.00 0.61 0.00 0.00 0.00 173.10 172.31 1b85 n GLY 220 N -1.57 0.70 3.72 0.20 0.00 -1.26 -5.00 105.19 101.97 1b85 n GLY 220 Ca 0.01 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1b85 n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b85 s ASN 221 N -2.94 6.93 0.09 1.61 0.01 -1.26 -4.98 114.94 114.40 1b85 s ASN 221 Ca 0.00 1.12 -0.33 0.00 -0.71 0.00 0.00 52.86 52.95 1b85 s ASN 221 Cb 0.00 -2.39 -0.12 0.00 0.41 0.00 0.00 41.25 39.15 1b85 s ASN 221 CO 0.00 -0.08 1.78 1.67 -1.51 0.00 0.00 177.10 178.95 1b85 n GLN 222 N 3.71 2.49 -0.04 -0.60 7.27 -1.26 -1.78 117.38 127.17 1b85 n GLN 222 Ca -0.03 0.90 0.00 0.00 0.07 0.00 0.00 57.00 57.95 1b85 n GLN 222 Cb 0.51 -2.75 0.00 0.00 2.41 0.00 0.00 30.24 30.41 1b85 n GLN 222 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b85 n GLY 223 N 4.05 0.38 3.63 1.69 0.00 -1.26 -4.88 105.19 108.80 1b85 n GLY 223 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1b85 n GLY 223 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b85 s GLU 224 N -0.92 2.69 0.39 1.61 2.12 -0.73 -0.59 118.70 123.27 1b85 s GLU 224 Ca 0.00 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.72 1b85 s GLU 224 Cb 0.00 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 1b85 s GLU 224 CO 0.00 0.62 0.08 0.14 -0.54 0.00 0.00 175.26 175.56 1b85 s VAL 225 N -1.01 0.96 0.62 3.70 -7.23 -0.83 -4.76 120.40 111.86 1b85 s VAL 225 Ca 0.17 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.17 1b85 s VAL 225 Cb -0.11 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1b85 s VAL 225 CO 0.08 0.00 1.15 -1.61 -0.31 0.00 0.00 175.10 174.41 1b85 s GLU 226 N -3.80 2.91 0.44 4.82 2.02 -1.26 -4.28 118.70 119.55 1b85 s GLU 226 Ca 0.27 1.61 0.07 0.00 0.02 0.00 0.00 54.97 56.94 1b85 s GLU 226 Cb 0.05 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1b85 s GLU 226 CO 0.14 -1.20 0.19 -1.54 0.02 0.00 0.00 175.26 172.87 1b85 s SER 227 N -2.02 4.43 0.00 -0.19 1.04 -0.10 -4.51 113.70 112.34 1b85 s SER 227 Ca 0.72 -1.15 0.23 0.00 0.48 0.00 0.00 55.95 56.23 1b85 s SER 227 Cb -0.25 -0.27 0.01 0.00 0.10 0.00 0.00 66.02 65.61 1b85 s SER 227 CO 0.36 -0.65 1.08 -0.81 0.98 0.00 0.00 173.24 174.20 1b85 n PRO 228 N -1.31 0.67 -4.00 4.02 -0.04 -1.26 -0.50 135.00 132.59 1b85 n PRO 228 Ca -0.03 -0.54 -0.11 0.00 -0.04 0.00 0.00 63.50 62.78 1b85 n PRO 228 Cb 0.65 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 1b85 n PRO 228 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b85 s LEU 229 N -2.70 2.16 0.31 1.53 1.43 -1.26 -4.78 118.68 115.38 1b85 s LEU 229 Ca 0.15 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 1b85 s LEU 229 Cb 0.17 -0.03 -0.10 0.00 0.03 0.00 0.00 46.19 46.26 1b85 s LEU 229 CO 0.68 -0.17 1.37 -2.16 0.23 0.00 0.00 176.35 176.30 1b85 s PRO 230 N -1.00 4.30 0.00 1.29 0.04 -1.26 -1.92 135.00 136.44 1b85 s PRO 230 Ca -0.09 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1b85 s PRO 230 Cb -0.07 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1b85 s PRO 230 CO -0.00 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1b85 n GLY 231 N 1.17 2.71 3.87 0.56 0.00 -1.26 -1.33 105.19 110.90 1b85 n GLY 231 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1b85 n GLY 231 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b85 s GLU 232 N -0.26 3.66 0.20 1.61 2.12 -0.81 -3.98 118.70 121.24 1b85 s GLU 232 Ca 0.00 0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.44 1b85 s GLU 232 Cb 0.00 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1b85 s GLU 232 CO 0.00 0.64 0.07 -1.50 -0.54 0.00 0.00 175.26 173.93 1b85 s ILE 233 N -1.29 4.00 -0.03 -3.70 2.07 -0.51 -4.45 121.20 117.28 1b85 s ILE 233 Ca 0.28 -1.42 0.01 0.00 -1.41 0.00 0.00 60.65 58.11 1b85 s ILE 233 Cb -0.14 -3.07 0.02 0.00 0.13 0.00 0.00 42.46 39.41 1b85 s ILE 233 CO 0.16 -0.20 -0.02 -0.60 -1.91 0.00 0.00 174.94 172.36 1b85 s ARG 234 N -3.28 0.52 0.17 3.50 3.52 -1.26 -4.47 118.95 117.65 1b85 s ARG 234 Ca 0.30 -0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.89 1b85 s ARG 234 Cb -0.09 -0.62 -0.04 0.00 -1.56 0.00 0.00 34.95 32.65 1b85 s ARG 234 CO 0.21 -0.10 0.33 0.96 -0.81 0.00 0.00 175.30 175.89 1b85 s ILE 235 N 0.91 5.27 0.35 4.11 -4.36 -1.26 -1.95 121.20 124.27 1b85 s ILE 235 Ca -0.10 -0.49 0.05 0.00 -0.26 0.00 0.00 60.65 59.84 1b85 s ILE 235 Cb -0.13 -3.73 0.19 0.00 1.25 0.00 0.00 42.46 40.04 1b85 s ILE 235 CO -0.01 -0.11 1.92 -0.61 0.24 0.00 0.00 174.94 176.38 1b85 h GLN 236 N 2.18 0.54 -0.26 0.37 4.15 -0.97 -1.96 115.11 119.16 1b85 h GLN 236 Ca -0.48 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 58.80 1b85 h GLN 236 Cb 1.19 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1b85 h GLN 236 CO 0.69 0.50 -0.06 0.66 -1.93 0.00 0.00 178.83 178.70 1b85 h SER 237 N 0.53 0.50 -0.31 -0.69 4.64 -1.65 0.49 113.55 117.05 1b85 h SER 237 Ca 0.12 -0.36 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1b85 h SER 237 Cb 0.22 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1b85 h SER 237 CO -0.00 0.74 0.12 0.44 -0.87 0.00 0.00 176.83 177.26 1b85 h ASP 238 N 0.24 0.43 -0.56 4.97 3.32 -1.83 -0.64 116.42 122.34 1b85 h ASP 238 Ca 0.07 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.02 1b85 h ASP 238 Cb 0.53 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 1b85 h ASP 238 CO 0.02 0.48 0.23 -0.74 -1.72 0.00 0.00 179.24 177.52 1b85 h HIS 239 N 0.35 0.42 0.02 4.55 2.76 -1.19 -1.86 115.15 120.20 1b85 h HIS 239 Ca 0.10 0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 58.10 1b85 h HIS 239 Cb 0.19 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1b85 h HIS 239 CO -0.00 0.15 -0.93 1.79 -1.30 0.00 0.00 177.93 177.63 1b85 h THR 240 N 0.44 1.57 -0.06 6.26 1.35 -0.56 -3.16 112.91 118.74 1b85 h THR 240 Ca 0.27 -2.91 -0.13 0.00 -0.55 0.00 0.00 66.41 63.09 1b85 h THR 240 Cb 0.28 2.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 1b85 h THR 240 CO -0.25 0.84 -0.53 0.40 -0.25 0.00 0.00 175.52 175.73 1b85 h ILE 241 N 0.05 1.36 0.00 6.82 2.04 -1.02 -0.23 117.51 126.53 1b85 h ILE 241 Ca -0.04 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.01 1b85 h ILE 241 Cb 1.61 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1b85 h ILE 241 CO 0.13 0.53 0.00 0.00 0.00 0.00 0.00 178.15 178.82 1b85 h ALA 242 N 1.31 1.00 -0.00 1.87 0.00 -1.31 -3.18 119.26 118.95 1b85 h ALA 242 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b85 h ALA 242 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1b85 h ALA 242 CO 0.08 0.00 -0.27 0.54 0.00 0.00 0.00 179.25 179.59 1b85 n ARG 243 N -2.30 4.93 -2.18 0.00 1.74 -0.83 -4.50 116.66 113.51 1b85 n ARG 243 Ca 0.03 -0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 1b85 n ARG 243 Cb 0.27 -0.79 -0.03 0.00 -1.02 0.00 0.00 32.46 30.90 1b85 n ARG 243 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1b85 s ASP 244 N -1.54 6.87 0.60 0.55 -1.08 -0.16 -4.83 116.67 117.08 1b85 s ASP 244 Ca 0.02 2.54 0.36 0.00 -0.52 0.00 0.00 52.55 54.96 1b85 s ASP 244 Cb 0.05 -2.63 1.89 0.00 -1.46 0.00 0.00 42.92 40.76 1b85 s ASP 244 CO 0.24 -0.49 2.20 0.77 0.52 0.00 0.00 175.17 178.41 1b85 h SER 245 N 4.20 0.00 0.56 -0.34 4.64 -1.91 -0.06 113.55 120.64 1b85 h SER 245 Ca -0.47 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.70 1b85 h SER 245 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1b85 h SER 245 CO 0.70 0.03 -0.67 0.03 -0.87 0.00 0.00 176.83 176.06 1b85 h ARG 246 N 0.00 0.10 0.00 4.77 3.08 -1.94 -3.38 114.38 117.02 1b85 h ARG 246 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1b85 h ARG 246 Cb 0.19 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1b85 h ARG 246 CO 0.00 0.73 0.00 0.25 -1.07 0.00 0.00 179.97 179.88 1b85 n THR 247 N -3.78 0.00 -0.27 2.04 -2.24 -0.85 -4.78 114.28 104.40 1b85 n THR 247 Ca -0.02 -0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 61.24 1b85 n THR 247 Cb 0.66 1.02 0.06 0.00 -2.10 0.00 0.00 70.33 69.97 1b85 n THR 247 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b85 h ALA 248 N 0.00 0.95 -0.02 6.98 0.00 -1.15 -0.41 119.26 125.62 1b85 h ALA 248 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1b85 h ALA 248 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1b85 h ALA 248 CO 0.00 0.46 -0.65 0.00 0.00 0.00 0.00 179.25 179.06 1b85 h GLU 250 N 0.06 0.87 -0.46 0.00 4.57 -1.78 -1.12 114.58 116.73 1b85 h GLU 250 Ca -0.01 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1b85 h GLU 250 Cb 1.16 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 1b85 h GLU 250 CO 0.09 0.88 0.24 2.35 -1.18 0.00 0.00 179.01 181.38 1b85 h TRP 251 N 0.75 0.43 0.00 0.92 2.91 -0.94 -2.25 115.95 117.78 1b85 h TRP 251 Ca 0.15 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.14 1b85 h TRP 251 Cb 0.45 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.96 1b85 h TRP 251 CO 0.03 0.22 -0.25 0.37 -1.03 0.00 0.00 178.44 177.79 1b85 h GLN 252 N 0.47 0.00 -0.08 2.65 4.15 -1.27 -3.07 115.11 117.96 1b85 h GLN 252 Ca 0.20 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.64 1b85 h GLN 252 Cb 0.09 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1b85 h GLN 252 CO -0.13 0.25 0.11 0.66 -1.93 0.00 0.00 178.83 177.78 1b85 h SER 253 N 0.00 0.00 1.67 -0.69 4.64 -0.56 -1.67 113.55 116.94 1b85 h SER 253 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b85 h SER 253 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1b85 h SER 253 CO 0.03 0.00 -0.13 -0.26 -0.87 0.00 0.00 176.83 175.60 1b85 h PHE 254 N 0.00 0.00 -2.79 4.77 0.04 -1.63 -3.42 116.94 113.91 1b85 h PHE 254 Ca 0.04 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.28 1b85 h PHE 254 Cb 0.25 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.44 1b85 h PHE 254 CO 0.00 0.00 0.91 0.08 -0.60 0.00 0.00 178.31 178.70 1b85 s VAL 255 N -3.19 2.65 -1.39 -0.55 1.01 -0.63 -2.07 120.40 116.23 1b85 s VAL 255 Ca 0.07 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 1b85 s VAL 255 Cb 0.08 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1b85 s VAL 255 CO 0.66 0.03 0.40 -3.20 0.00 0.00 0.00 175.10 172.99 1b85 n ASN 256 N 4.22 -4.84 -3.30 3.32 4.05 -1.26 -4.93 115.26 112.52 1b85 n ASN 256 Ca 0.14 -0.21 -0.26 0.00 0.45 0.00 0.00 54.58 54.71 1b85 n ASN 256 Cb 0.39 -3.98 -0.09 0.00 1.23 0.00 0.00 39.78 37.33 1b85 n ASN 256 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1b85 n ASN 257 N -2.26 -0.28 -0.29 1.20 2.85 -0.88 -4.98 115.26 110.62 1b85 n ASN 257 Ca -0.10 -2.50 -0.05 0.00 -0.11 0.00 0.00 54.58 51.81 1b85 n ASN 257 Cb 0.60 -0.55 0.07 0.00 1.24 0.00 0.00 39.78 41.13 1b85 n ASN 257 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1b85 h GLN 258 N 4.99 1.15 -0.75 1.20 4.15 -1.92 -2.31 115.11 121.63 1b85 h GLN 258 Ca 0.19 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1b85 h GLN 258 Cb 0.90 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 1b85 h GLN 258 CO 0.40 0.91 0.24 0.66 -1.93 0.00 0.00 178.83 179.11 1b85 h SER 259 N 1.13 1.09 -0.48 -0.69 4.64 -1.96 -1.46 113.55 115.81 1b85 h SER 259 Ca 0.27 -0.21 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 1b85 h SER 259 Cb 0.15 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1b85 h SER 259 CO -0.03 1.01 -0.04 0.50 -0.87 0.00 0.00 176.83 177.40 1b85 h LYS 260 N 1.12 0.88 -0.13 4.77 3.64 -1.91 -1.05 116.57 123.90 1b85 h LYS 260 Ca 0.24 -0.30 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1b85 h LYS 260 Cb 0.30 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1b85 h LYS 260 CO -0.01 0.94 -0.05 1.25 -2.27 0.00 0.00 179.45 179.32 1b85 h LEU 261 N 0.74 -0.16 -0.13 5.20 5.85 -1.15 -0.54 115.31 125.13 1b85 h LEU 261 Ca 0.13 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1b85 h LEU 261 Cb 0.57 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1b85 h LEU 261 CO 0.03 -0.06 -0.01 0.58 -0.34 0.00 0.00 178.44 178.64 1b85 h VAL 262 N -0.02 1.26 -0.40 1.05 2.07 -1.22 -1.21 116.25 117.78 1b85 h VAL 262 Ca 0.07 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1b85 h VAL 262 Cb 0.12 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1b85 h VAL 262 CO -0.14 0.25 0.15 0.44 0.02 0.00 0.00 177.57 178.29 1b85 h ASP 263 N -0.05 0.55 -0.27 0.57 3.32 -1.16 -1.12 116.42 118.26 1b85 h ASP 263 Ca 0.04 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.77 1b85 h ASP 263 Cb 0.39 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1b85 h ASP 263 CO 0.01 0.57 -0.34 0.44 -1.72 0.00 0.00 179.24 178.20 1b85 h ASP 264 N 0.49 0.84 0.35 6.45 3.32 -1.10 -2.56 116.42 124.21 1b85 h ASP 264 Ca 0.13 -0.36 -0.20 0.00 0.02 0.00 0.00 57.03 56.63 1b85 h ASP 264 Cb 0.20 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1b85 h ASP 264 CO -0.01 1.10 -0.81 0.15 -1.72 0.00 0.00 179.24 177.95 1b85 h PHE 265 N 0.67 0.51 -0.48 4.55 3.57 -1.17 -1.86 116.94 122.73 1b85 h PHE 265 Ca 0.07 -0.25 0.06 0.00 3.53 0.00 0.00 57.97 61.38 1b85 h PHE 265 Cb 0.89 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 1b85 h PHE 265 CO 0.05 1.03 0.19 0.37 -2.23 0.00 0.00 178.31 177.72 1b85 h GLN 266 N 0.23 0.37 0.26 1.11 4.15 -1.16 -0.29 115.11 119.78 1b85 h GLN 266 Ca -0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1b85 h GLN 266 Cb 1.41 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1b85 h GLN 266 CO 0.14 0.25 -0.13 0.35 -1.93 0.00 0.00 178.83 177.51 1b85 h PHE 267 N 0.38 -0.33 0.00 3.99 3.57 -1.36 -2.81 116.94 120.39 1b85 h PHE 267 Ca 0.23 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 1b85 h PHE 267 Cb 0.21 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1b85 h PHE 267 CO -0.14 -0.16 -0.55 0.97 -2.23 0.00 0.00 178.31 176.20 1b85 h ILE 268 N -0.41 1.36 -0.25 1.41 6.09 -1.03 -2.19 117.51 122.49 1b85 h ILE 268 Ca -0.04 -1.89 -0.04 0.00 -1.37 0.00 0.00 64.86 61.52 1b85 h ILE 268 Cb 0.31 2.03 -0.01 0.00 0.47 0.00 0.00 36.82 39.62 1b85 h ILE 268 CO 0.06 0.54 0.01 0.15 -3.07 0.00 0.00 178.15 175.83 1b85 h PHE 269 N 0.00 0.48 -0.70 2.19 3.57 -1.07 -1.05 116.94 120.35 1b85 h PHE 269 Ca -0.01 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.45 1b85 h PHE 269 Cb 0.98 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 1b85 h PHE 269 CO 0.00 0.60 0.43 1.25 -2.23 0.00 0.00 178.31 178.36 1b85 h LEU 270 N 0.23 0.70 -0.89 0.59 5.85 -1.38 -1.83 115.31 118.58 1b85 h LEU 270 Ca 0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1b85 h LEU 270 Cb 0.40 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1b85 h LEU 270 CO 0.01 0.48 0.40 0.00 -0.34 0.00 0.00 178.44 179.00 1b85 h ALA 271 N 1.31 1.14 -0.89 1.25 0.00 -1.05 -2.24 119.26 118.77 1b85 h ALA 271 Ca 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1b85 h ALA 271 Cb 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1b85 h ALA 271 CO -0.12 0.65 0.48 -0.07 0.00 0.00 0.00 179.25 180.20 1b85 h LEU 272 N 1.19 1.12 -0.45 0.00 3.38 -0.71 -2.00 115.31 117.84 1b85 h LEU 272 Ca 0.29 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1b85 h LEU 272 Cb 0.12 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1b85 h LEU 272 CO -0.04 0.90 0.00 0.35 0.09 0.00 0.00 178.44 179.75 1b85 n THR 273 N -4.33 0.86 0.04 0.22 -2.24 -0.73 -2.40 114.28 105.69 1b85 n THR 273 Ca 0.09 0.21 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 1b85 n THR 273 Cb 0.10 -1.08 0.23 0.00 -2.10 0.00 0.00 70.33 67.48 1b85 n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b85 n GLN 274 N -2.00 2.50 -2.06 -0.78 6.02 -0.76 -4.78 117.38 115.52 1b85 n GLN 274 Ca 0.03 -2.30 -0.42 0.00 -0.01 0.00 0.00 57.00 54.30 1b85 n GLN 274 Cb 0.22 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 1b85 n GLN 274 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1b85 s LEU 275 N -1.24 4.37 0.00 1.08 1.43 -1.01 -1.54 118.68 121.78 1b85 s LEU 275 Ca 0.38 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 1b85 s LEU 275 Cb 0.21 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1b85 s LEU 275 CO 0.29 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.74 1b85 n GLY 276 N 3.62 0.89 3.61 -3.19 0.00 -1.26 -0.55 105.19 108.30 1b85 n GLY 276 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1b85 n GLY 276 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b85 s GLN 277 N -0.58 1.99 -0.38 1.61 -1.52 -0.59 -4.92 119.66 115.28 1b85 s GLN 277 Ca 0.00 -1.85 -0.11 0.00 -1.95 0.00 0.00 55.36 51.45 1b85 s GLN 277 Cb 0.00 -1.83 0.03 0.00 -0.22 0.00 0.00 33.01 30.98 1b85 s GLN 277 CO 0.00 0.11 0.21 0.34 -0.25 0.00 0.00 175.29 175.70 1b85 s ASP 278 N -3.69 5.77 0.48 5.90 2.15 -1.26 -4.97 116.67 121.04 1b85 s ASP 278 Ca 0.34 -0.96 0.17 0.00 0.43 0.00 0.00 52.55 52.53 1b85 s ASP 278 Cb 0.02 -2.04 1.18 0.00 -0.30 0.00 0.00 42.92 41.78 1b85 s ASP 278 CO 0.18 -0.38 2.04 -0.65 -0.17 0.00 0.00 175.17 176.19 1b85 h PRO 279 N 8.45 0.20 0.00 4.34 0.11 -1.97 -1.17 132.00 141.96 1b85 h PRO 279 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1b85 h PRO 279 Cb 1.11 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1b85 h PRO 279 CO 0.67 0.13 -0.07 -0.91 -0.21 0.00 0.00 178.00 177.61 1b85 h ASN 280 N 0.20 0.00 -0.30 -2.05 2.35 -2.03 -2.55 115.58 111.21 1b85 h ASN 280 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1b85 h ASN 280 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1b85 h ASN 280 CO -0.03 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.82 1b85 n ALA 281 N -2.15 2.45 -2.64 -0.83 0.00 -0.45 -4.97 120.51 111.93 1b85 n ALA 281 Ca -0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 53.44 52.40 1b85 n ALA 281 Cb 0.30 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 1b85 n ALA 281 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1b85 s MET 282 N -1.62 3.23 -0.13 0.00 -1.94 -0.96 -4.92 119.30 112.96 1b85 s MET 282 Ca 0.36 -0.91 -0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1b85 s MET 282 Cb 0.21 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1b85 s MET 282 CO 0.30 0.19 -0.01 0.99 -0.01 0.00 0.00 175.02 176.48 1b85 s THR 283 N -2.11 4.18 -0.40 2.05 2.01 -0.60 -4.90 115.64 115.86 1b85 s THR 283 Ca 0.41 -0.27 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 1b85 s THR 283 Cb -0.09 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.63 1b85 s THR 283 CO 0.30 0.54 0.93 -0.62 -0.69 0.00 0.00 174.62 175.09 1b85 s ASP 284 N -0.22 6.61 -0.31 3.53 2.15 -1.26 -0.93 116.67 126.25 1b85 s ASP 284 Ca 0.05 0.42 0.07 0.00 0.43 0.00 0.00 52.55 53.52 1b85 s ASP 284 Cb -0.13 -2.46 0.46 0.00 -0.30 0.00 0.00 42.92 40.50 1b85 s ASP 284 CO 0.02 -0.93 1.35 0.00 -0.17 0.00 0.00 175.17 175.44 1b85 h SER 286 N 1.58 0.00 0.59 0.00 0.02 -1.78 -1.87 113.55 112.09 1b85 h SER 286 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1b85 h SER 286 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1b85 h SER 286 CO 0.56 0.10 0.00 0.47 -1.14 0.00 0.00 176.83 176.82 1b85 n ASP 287 N -3.40 0.07 0.20 3.07 8.00 -1.26 -1.89 116.55 121.34 1b85 n ASP 287 Ca -0.01 0.52 0.08 0.00 0.71 0.00 0.00 54.79 56.09 1b85 n ASP 287 Cb 0.26 -0.53 0.27 0.00 -0.02 0.00 0.00 41.12 41.10 1b85 n ASP 287 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1b85 h VAL 288 N 0.00 0.49 -3.54 2.53 2.07 -1.67 -3.45 116.25 112.68 1b85 h VAL 288 Ca 0.00 -1.42 -0.52 0.00 0.82 0.00 0.00 66.70 65.58 1b85 h VAL 288 Cb 0.30 2.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1b85 h VAL 288 CO 0.00 0.25 0.52 -0.63 0.02 0.00 0.00 177.57 177.72 1b85 s ILE 289 N -3.32 3.70 0.77 4.57 -1.09 -0.79 -4.98 121.20 120.06 1b85 s ILE 289 Ca 0.03 1.46 -0.14 0.00 -2.23 0.00 0.00 60.65 59.77 1b85 s ILE 289 Cb 0.08 -3.93 0.06 0.00 -1.58 0.00 0.00 42.46 37.09 1b85 s ILE 289 CO 0.67 0.25 1.22 -2.84 -1.23 0.00 0.00 174.94 173.01 1b85 s PRO 290 N -0.35 1.86 0.20 2.79 0.02 -1.26 -4.93 135.00 133.33 1b85 s PRO 290 Ca 0.51 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 1b85 s PRO 290 Cb -0.31 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 1b85 s PRO 290 CO 0.36 -2.05 1.36 -1.14 -0.33 0.00 0.00 177.00 175.20 1b85 s GLN 291 N -3.99 4.34 0.54 5.54 0.74 -1.26 -4.78 119.66 120.79 1b85 s GLN 291 Ca 0.75 2.13 -0.19 0.00 0.05 0.00 0.00 55.36 58.09 1b85 s GLN 291 Cb -0.30 -3.18 -0.06 0.00 1.10 0.00 0.00 33.01 30.57 1b85 s GLN 291 CO 0.48 -0.33 1.10 -1.12 -0.55 0.00 0.00 175.29 174.87 1b85 s SER 292 N 0.49 5.85 0.04 6.67 0.01 -1.26 -4.98 113.70 120.51 1b85 s SER 292 Ca 0.59 2.09 -0.06 0.00 1.31 0.00 0.00 55.95 59.88 1b85 s SER 292 Cb -0.38 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.23 1b85 s SER 292 CO 0.38 -1.13 0.29 -0.54 0.41 0.00 0.00 173.24 172.65 1b85 s LYS 293 N -3.34 3.59 0.82 12.44 1.02 -1.26 -4.99 119.74 128.02 1b85 s LYS 293 Ca 0.71 -0.09 -0.11 0.00 0.02 0.00 0.00 55.97 56.50 1b85 s LYS 293 Cb -0.22 -3.03 0.09 0.00 -0.52 0.00 0.00 37.83 34.15 1b85 s LYS 293 CO 0.26 0.61 1.10 -1.25 -0.92 0.00 0.00 175.35 175.15 1b85 s PRO 294 N -1.98 1.84 0.08 -1.68 0.04 -1.26 -0.24 135.00 131.80 1b85 s PRO 294 Ca 0.31 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 1b85 s PRO 294 Cb -0.13 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 1b85 s PRO 294 CO 0.19 -1.92 1.19 0.42 0.04 0.00 0.00 177.00 176.92 1b85 s ILE 295 N -2.88 3.98 0.66 0.56 1.01 -1.26 -4.42 121.20 118.85 1b85 s ILE 295 Ca 0.62 1.46 -0.10 0.00 0.00 0.00 0.00 60.65 62.63 1b85 s ILE 295 Cb -0.18 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1b85 s ILE 295 CO 0.57 0.13 1.04 -2.16 0.00 0.00 0.00 174.94 174.51 1b85 s PRO 296 N 0.85 2.98 0.05 2.79 0.04 -1.26 -4.93 135.00 135.53 1b85 s PRO 296 Ca 0.58 0.39 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1b85 s PRO 296 Cb -0.30 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1b85 s PRO 296 CO 0.30 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1b85 n GLY 297 N -2.86 -3.43 1.01 0.56 0.00 -1.26 -4.73 105.19 94.48 1b85 n GLY 297 Ca 0.06 -1.94 0.05 0.00 0.00 0.00 0.00 46.02 44.19 1b85 n GLY 297 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b85 n ASN 298 N -0.17 1.27 -4.88 1.61 6.94 -1.26 -5.06 115.26 113.70 1b85 n ASN 298 Ca 0.00 -2.78 -0.30 0.00 -0.02 0.00 0.00 54.58 51.49 1b85 n ASN 298 Cb 0.00 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 1b85 n ASN 298 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b85 s LEU 299 N -1.38 3.40 0.80 -4.53 1.43 -1.26 -5.04 118.68 112.10 1b85 s LEU 299 Ca 0.33 1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 54.52 1b85 s LEU 299 Cb 0.35 -4.23 0.08 0.00 0.03 0.00 0.00 46.19 42.42 1b85 s LEU 299 CO -0.11 -0.75 1.18 -2.84 0.23 0.00 0.00 176.35 174.07 1b85 s PRO 300 N -4.98 1.75 0.19 1.29 0.02 -1.26 -4.93 135.00 127.08 1b85 s PRO 300 Ca 0.52 1.65 -0.08 0.00 0.02 0.00 0.00 61.00 63.11 1b85 s PRO 300 Cb -0.11 -1.80 0.11 0.00 0.02 0.00 0.00 34.50 32.72 1b85 s PRO 300 CO 0.50 -2.11 1.68 0.35 -0.33 0.00 0.00 177.00 177.09 1b85 h PHE 301 N -0.91 1.16 -4.20 6.54 3.57 -1.97 -3.42 116.94 117.71 1b85 h PHE 301 Ca -0.46 -0.18 -0.64 0.00 3.53 0.00 0.00 57.97 60.23 1b85 h PHE 301 Cb 1.28 -0.31 -0.26 0.00 2.79 0.00 0.00 35.95 39.45 1b85 h PHE 301 CO 0.49 0.99 -0.86 -1.12 -2.23 0.00 0.00 178.31 175.58 1b85 s SER 302 N -6.54 2.87 0.23 0.41 0.01 -1.26 -4.66 113.70 104.75 1b85 s SER 302 Ca -0.12 -0.58 -0.16 0.00 1.31 0.00 0.00 55.95 56.40 1b85 s SER 302 Cb 0.14 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 66.14 1b85 s SER 302 CO 0.85 0.20 0.53 0.72 0.41 0.00 0.00 173.24 175.96 1b85 s PHE 303 N -0.84 0.07 -0.01 2.43 -0.12 -1.26 -4.64 117.98 113.61 1b85 s PHE 303 Ca 0.10 -0.45 -0.17 0.00 -0.05 0.00 0.00 56.93 56.36 1b85 s PHE 303 Cb -0.09 0.36 -0.06 0.00 -0.63 0.00 0.00 43.02 42.60 1b85 s PHE 303 CO 0.02 -1.00 0.47 -0.06 -0.05 0.00 0.00 175.22 174.61 1b85 s PHE 304 N -3.94 3.69 0.97 3.49 0.08 0.10 -4.97 117.98 117.40 1b85 s PHE 304 Ca 0.15 1.05 -0.11 0.00 0.12 0.00 0.00 56.93 58.14 1b85 s PHE 304 Cb -0.02 -2.42 0.16 0.00 -0.57 0.00 0.00 43.02 40.17 1b85 s PHE 304 CO 0.04 0.50 1.01 -2.30 -0.10 0.00 0.00 175.22 174.36 1b85 n PRO 305 N 2.30 -0.77 -1.73 0.24 -0.02 -1.26 -2.10 135.00 131.66 1b85 n PRO 305 Ca -0.11 -0.17 -0.41 0.00 -2.02 0.00 0.00 63.50 60.80 1b85 n PRO 305 Cb 0.52 -2.27 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 1b85 n PRO 305 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b85 n ALA 306 N -4.30 1.64 -0.03 3.55 0.00 -1.26 -2.01 120.51 118.11 1b85 n ALA 306 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1b85 n ALA 306 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1b85 n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b85 n GLY 307 N 0.70 1.02 3.33 0.00 0.00 -1.25 -4.09 105.19 104.90 1b85 n GLY 307 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1b85 n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b85 s LYS 308 N -0.65 1.51 0.20 1.61 -0.14 -0.85 -4.95 119.74 116.46 1b85 s LYS 308 Ca 0.00 -1.14 0.04 0.00 -1.36 0.00 0.00 55.97 53.51 1b85 s LYS 308 Cb 0.00 -1.77 -0.01 0.00 -1.68 0.00 0.00 37.83 34.37 1b85 s LYS 308 CO 0.00 0.44 0.14 0.25 -0.76 0.00 0.00 175.35 175.42 1b85 n THR 309 N 1.47 0.00 0.31 2.17 -2.24 -1.26 -4.74 114.28 109.98 1b85 n THR 309 Ca -0.18 -1.36 0.18 0.00 -2.27 0.00 0.00 64.05 60.42 1b85 n THR 309 Cb 0.53 0.63 1.02 0.00 -2.10 0.00 0.00 70.33 70.41 1b85 n THR 309 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1b85 h ILE 310 N 1.54 0.34 0.00 2.28 6.09 -1.95 -0.64 117.51 125.17 1b85 h ILE 310 Ca -0.14 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1b85 h ILE 310 Cb 0.68 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.96 1b85 h ILE 310 CO 0.22 0.00 0.00 0.11 -3.07 0.00 0.00 178.15 175.41 1b85 h LYS 311 N 0.00 0.00 -0.01 2.19 1.57 -2.03 -2.44 116.57 115.85 1b85 h LYS 311 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b85 h LYS 311 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1b85 h LYS 311 CO -0.00 0.00 -0.08 -0.25 -0.57 0.00 0.00 179.45 178.55 1b85 n ASP 312 N -2.57 1.13 -4.75 0.86 8.00 -0.25 -4.90 116.55 114.07 1b85 n ASP 312 Ca 0.02 -1.19 -0.39 0.00 0.71 0.00 0.00 54.79 53.94 1b85 n ASP 312 Cb 0.31 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 1b85 n ASP 312 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b85 s VAL 313 N -2.19 4.78 -0.67 2.53 1.01 -0.92 0.04 120.40 124.98 1b85 s VAL 313 Ca 0.34 1.48 -0.17 0.00 0.00 0.00 0.00 61.98 63.63 1b85 s VAL 313 Cb 0.21 -4.04 0.14 0.00 0.00 0.00 0.00 36.38 32.68 1b85 s VAL 313 CO 0.40 0.40 0.72 -1.61 0.00 0.00 0.00 175.10 175.01 1b85 s GLU 314 N -0.19 3.21 0.07 2.72 2.02 -0.02 -4.88 118.70 121.62 1b85 s GLU 314 Ca 0.35 -1.70 -0.31 0.00 0.02 0.00 0.00 54.97 53.34 1b85 s GLU 314 Cb -0.20 -4.38 -0.08 0.00 0.10 0.00 0.00 34.13 29.57 1b85 s GLU 314 CO 0.21 -1.47 1.67 -1.14 0.02 0.00 0.00 175.26 174.55 1b85 s GLN 315 N 1.91 4.19 0.00 1.61 2.00 -1.26 -4.86 119.66 123.25 1b85 s GLN 315 Ca 0.13 2.35 0.00 0.00 -2.00 0.00 0.00 55.36 55.84 1b85 s GLN 315 Cb -0.20 -3.62 0.00 0.00 0.80 0.00 0.00 33.01 29.99 1b85 s GLN 315 CO 0.01 -0.75 0.00 0.00 -0.50 0.00 0.00 175.29 174.05 1b85 n ALA 316 N 5.67 1.77 -2.59 1.58 0.00 -1.26 -4.99 120.51 120.69 1b85 n ALA 316 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 1b85 n ALA 316 Cb 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 1b85 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b85 n ALA 318 N 5.90 2.49 0.76 0.00 0.00 -1.26 -3.73 120.51 124.67 1b85 n ALA 318 Ca -0.02 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.37 1b85 n ALA 318 Cb 0.49 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 1b85 n ALA 318 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1b85 n GLU 319 N -1.44 1.00 -3.71 0.00 0.28 -1.26 -4.93 120.64 110.58 1b85 n GLU 319 Ca 0.08 -0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 56.93 1b85 n GLU 319 Cb 0.32 -1.36 -0.13 0.00 1.43 0.00 0.00 31.44 31.70 1b85 n GLU 319 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1b85 s THR 320 N -2.76 -0.16 0.61 3.84 2.01 -1.24 -5.14 115.64 112.79 1b85 s THR 320 Ca 0.05 0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.09 1b85 s THR 320 Cb 0.13 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 1b85 s THR 320 CO 0.74 0.09 1.12 -2.16 -0.69 0.00 0.00 174.62 173.72 1b85 s PRO 321 N 1.66 3.02 0.26 4.92 0.04 -1.26 -4.73 135.00 138.91 1b85 s PRO 321 Ca -0.05 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 1b85 s PRO 321 Cb -0.11 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1b85 s PRO 321 CO -0.08 -1.09 1.51 0.12 0.04 0.00 0.00 177.00 177.50 1b85 s PHE 322 N -2.11 2.92 0.57 0.56 2.19 -1.26 -4.93 117.98 115.92 1b85 s PHE 322 Ca 0.69 0.89 -0.21 0.00 0.33 0.00 0.00 56.93 58.64 1b85 s PHE 322 Cb -0.22 -3.93 -0.04 0.00 -1.31 0.00 0.00 43.02 37.52 1b85 s PHE 322 CO 0.36 -3.10 1.32 -0.35 1.83 0.00 0.00 175.22 175.27 1b85 n PRO 323 N 2.40 1.50 -2.66 10.12 -0.04 -1.26 -4.93 135.00 140.14 1b85 n PRO 323 Ca 0.08 0.56 -0.43 0.00 -0.04 0.00 0.00 63.50 63.67 1b85 n PRO 323 Cb 0.39 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 1b85 n PRO 323 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1b85 s THR 324 N -1.32 4.23 0.44 0.52 -4.23 -1.26 -5.02 115.64 109.00 1b85 s THR 324 Ca 0.75 1.00 0.08 0.00 -1.18 0.00 0.00 61.69 62.33 1b85 s THR 324 Cb -0.41 -4.59 0.02 0.00 1.34 0.00 0.00 72.50 68.85 1b85 s THR 324 CO 0.47 -1.05 0.57 -0.76 -0.54 0.00 0.00 174.62 173.30 1b85 s LEU 325 N 4.39 3.52 0.41 4.79 1.43 -1.26 -5.11 118.68 126.84 1b85 s LEU 325 Ca 0.44 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1b85 s LEU 325 Cb -0.08 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1b85 s LEU 325 CO 0.29 -0.83 0.73 0.42 0.23 0.00 0.00 176.35 177.19 1b85 s THR 326 N -2.42 4.88 -0.15 5.49 -4.23 -1.26 -4.80 115.64 113.14 1b85 s THR 326 Ca 0.54 0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 61.35 1b85 s THR 326 Cb -0.08 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 1b85 s THR 326 CO 0.33 -0.59 0.04 -0.89 -0.54 0.00 0.00 174.62 172.97 1b85 s THR 327 N -2.43 4.65 0.62 3.99 2.01 -1.26 -0.72 115.64 122.50 1b85 s THR 327 Ca 0.48 -0.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.21 1b85 s THR 327 Cb -0.10 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 1b85 s THR 327 CO 0.35 0.52 1.18 -0.76 -0.69 0.00 0.00 174.62 175.22 1b85 s LEU 328 N -0.11 3.57 0.53 4.42 1.43 -0.89 -4.95 118.68 122.67 1b85 s LEU 328 Ca 0.06 2.29 -0.16 0.00 -1.03 0.00 0.00 54.13 55.29 1b85 s LEU 328 Cb -0.12 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 1b85 s LEU 328 CO 0.01 -1.67 1.00 -2.16 0.23 0.00 0.00 176.35 173.77 1b85 s PRO 329 N -3.55 3.81 0.05 1.29 0.04 -1.26 -4.18 135.00 131.20 1b85 s PRO 329 Ca 0.74 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1b85 s PRO 329 Cb -0.28 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1b85 s PRO 329 CO 0.36 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1b85 n GLY 330 N -1.47 -2.85 3.78 0.56 0.00 -1.26 -4.82 105.19 99.13 1b85 n GLY 330 Ca 0.07 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 1b85 n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b85 s PRO 331 N -0.46 2.73 0.33 1.61 0.04 -1.26 -3.86 135.00 134.14 1b85 s PRO 331 Ca 0.00 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 1b85 s PRO 331 Cb 0.00 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 1b85 s PRO 331 CO 0.00 -1.28 1.51 -1.91 0.04 0.00 0.00 177.00 175.36 1b85 n GLU 332 N -2.86 2.60 -4.31 4.56 2.13 -1.26 -4.66 120.64 116.84 1b85 n GLU 332 Ca 0.09 0.92 -0.19 0.00 0.66 0.00 0.00 57.16 58.64 1b85 n GLU 332 Cb 0.53 -2.65 -0.11 0.00 0.27 0.00 0.00 31.44 29.48 1b85 n GLU 332 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1b85 s THR 333 N -0.60 1.62 0.33 6.31 -1.32 -1.26 -5.03 115.64 115.68 1b85 s THR 333 Ca 0.59 -1.98 -0.25 0.00 -1.21 0.00 0.00 61.69 58.83 1b85 s THR 333 Cb -0.50 -1.83 -0.10 0.00 -1.51 0.00 0.00 72.50 68.56 1b85 s THR 333 CO 0.57 -0.47 0.93 -0.44 -2.21 0.00 0.00 174.62 173.00 1b85 s SER 334 N -2.88 7.28 0.01 8.08 0.01 -1.26 -4.57 113.70 120.37 1b85 s SER 334 Ca 0.16 1.80 -0.30 0.00 1.31 0.00 0.00 55.95 58.92 1b85 s SER 334 Cb -0.03 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1b85 s SER 334 CO 0.05 -0.09 0.96 -0.69 0.41 0.00 0.00 173.24 173.88 1b85 s VAL 335 N -1.66 4.84 0.35 3.43 1.01 -0.45 -4.99 120.40 122.94 1b85 s VAL 335 Ca 0.51 2.02 -0.26 0.00 0.00 0.00 0.00 61.98 64.25 1b85 s VAL 335 Cb -0.18 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 1b85 s VAL 335 CO 0.23 0.19 1.05 -1.10 0.00 0.00 0.00 175.10 175.46 1b85 s GLN 336 N 0.87 4.37 0.52 2.72 -1.52 -1.26 -4.50 119.66 120.87 1b85 s GLN 336 Ca 0.50 1.58 -0.12 0.00 -1.95 0.00 0.00 55.36 55.37 1b85 s GLN 336 Cb -0.21 -2.78 -0.06 0.00 -0.22 0.00 0.00 33.01 29.74 1b85 s GLN 336 CO 0.28 0.03 0.94 -0.98 -0.25 0.00 0.00 175.29 175.30 1b85 s ARG 337 N -2.10 3.77 -0.45 2.91 1.70 -1.26 -4.70 118.95 118.82 1b85 s ARG 337 Ca 0.53 0.72 -0.03 0.00 -0.47 0.00 0.00 55.73 56.47 1b85 s ARG 337 Cb -0.25 -2.19 0.12 0.00 -0.57 0.00 0.00 34.95 32.06 1b85 s ARG 337 CO 0.31 -0.31 0.26 0.42 -1.08 0.00 0.00 175.30 174.90 1b85 s ILE 338 N -2.75 3.43 0.26 4.99 1.01 0.06 -5.04 121.20 123.16 1b85 s ILE 338 Ca 0.55 -2.20 -0.30 0.00 0.00 0.00 0.00 60.65 58.71 1b85 s ILE 338 Cb -0.10 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.95 1b85 s ILE 338 CO 0.40 -0.73 1.34 -2.84 0.00 0.00 0.00 174.94 173.10 1b85 s PRO 339 N 0.95 4.35 0.56 2.79 0.02 -1.26 -4.14 135.00 138.26 1b85 s PRO 339 Ca 0.10 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.30 1b85 s PRO 339 Cb -0.23 -3.12 0.04 0.00 0.02 0.00 0.00 34.50 31.20 1b85 s PRO 339 CO -0.04 -0.26 0.79 -1.25 -0.33 0.00 0.00 177.00 175.91 1b85 s PRO 340 N -0.84 2.52 0.83 5.54 0.04 -1.26 -4.82 135.00 137.01 1b85 s PRO 340 Ca 0.54 -0.76 -0.10 0.00 0.04 0.00 0.00 61.00 60.72 1b85 s PRO 340 Cb -0.39 -2.47 0.09 0.00 0.04 0.00 0.00 34.50 31.77 1b85 s PRO 340 CO 0.45 -0.75 1.11 -2.14 0.04 0.00 0.00 177.00 175.71 1b85 s PRO 341 N -4.79 1.78 0.37 0.56 0.02 -1.26 -4.95 135.00 126.73 1b85 s PRO 341 Ca 0.58 1.24 -0.25 0.00 0.02 0.00 0.00 61.00 62.59 1b85 s PRO 341 Cb -0.10 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.46 1b85 s PRO 341 CO 0.39 -2.00 0.91 -2.30 -0.33 0.00 0.00 177.00 173.67 1b85 n PRO 342 N -3.77 1.17 -0.57 5.54 -0.02 -1.26 -3.01 135.00 133.07 1b85 n PRO 342 Ca 0.10 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1b85 n PRO 342 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1b85 n PRO 342 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b85 n GLY 343 N 1.33 0.80 0.00 -1.23 0.00 -1.26 -4.92 105.19 99.91 1b85 n GLY 343 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1b85 n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32