#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b80 s ALA 1 N 0.00 -0.23 -0.17 5.13 0.00 -0.32 -4.88 121.76 121.30 1b80 s ALA 1 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 1b80 s ALA 1 Cb 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1b80 s ALA 1 CO 0.00 -0.51 -0.05 0.99 0.00 0.00 0.00 175.76 176.19 1b80 s THR 2 N -3.85 3.60 0.76 0.00 2.01 -1.26 -0.80 115.64 116.10 1b80 s THR 2 Ca 0.05 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.48 1b80 s THR 2 Cb 0.05 -2.58 0.05 0.00 0.01 0.00 0.00 72.50 70.02 1b80 s THR 2 CO -0.11 0.48 1.14 0.00 -0.69 0.00 0.00 174.62 175.44 1b80 h SER 4 N -0.86 0.26 -0.12 0.00 0.02 -1.95 -0.51 113.55 110.39 1b80 h SER 4 Ca -0.45 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1b80 h SER 4 Cb 1.29 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1b80 h SER 4 CO 0.65 0.11 0.00 -0.46 -1.14 0.00 0.00 176.83 175.99 1b80 n ASN 5 N -4.43 0.86 0.00 3.07 0.23 -1.26 -4.90 115.26 108.83 1b80 n ASN 5 Ca 0.17 -1.74 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 1b80 n ASN 5 Cb 0.73 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 1b80 n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1b80 n GLY 6 N 0.88 1.05 3.85 4.83 0.00 -0.20 -5.04 105.19 110.56 1b80 n GLY 6 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1b80 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b80 s LYS 7 N -0.29 4.01 -0.03 1.61 1.02 -1.26 -4.77 119.74 120.03 1b80 s LYS 7 Ca 0.00 0.64 -0.05 0.00 0.02 0.00 0.00 55.97 56.58 1b80 s LYS 7 Cb 0.00 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1b80 s LYS 7 CO 0.00 0.21 0.19 0.95 -0.92 0.00 0.00 175.35 175.79 1b80 s THR 8 N -1.89 5.42 0.23 2.17 -4.23 -1.26 -0.68 115.64 115.39 1b80 s THR 8 Ca 0.52 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1b80 s THR 8 Cb -0.11 -3.51 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 1b80 s THR 8 CO 0.18 0.41 0.10 0.68 -0.54 0.00 0.00 174.62 175.46 1b80 s VAL 9 N -1.24 0.33 -0.11 2.29 -7.23 0.02 -4.87 120.40 109.60 1b80 s VAL 9 Ca 0.24 -2.00 0.26 0.00 -1.81 0.00 0.00 61.98 58.67 1b80 s VAL 9 Cb -0.13 -2.53 0.30 0.00 0.56 0.00 0.00 36.38 34.58 1b80 s VAL 9 CO 0.14 -0.04 1.75 1.23 -0.31 0.00 0.00 175.10 177.87 1b80 h GLY 10 N 2.51 0.00 -5.33 2.32 0.00 -1.86 -0.84 103.07 99.88 1b80 h GLY 10 Ca -0.37 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1b80 h GLY 10 CO 0.58 0.00 -0.25 -0.35 0.00 0.00 0.00 176.54 176.52 1b80 s ASP 11 N -6.08 -0.45 0.52 0.19 -1.08 -1.26 -2.95 116.67 105.56 1b80 s ASP 11 Ca 0.03 0.84 0.35 0.00 -0.52 0.00 0.00 52.55 53.25 1b80 s ASP 11 Cb 0.08 0.82 1.63 0.00 -1.46 0.00 0.00 42.92 43.99 1b80 s ASP 11 CO 0.63 -0.15 2.04 0.00 0.52 0.00 0.00 175.17 178.20 1b80 h ALA 12 N 5.87 1.00 0.00 3.66 0.00 -1.90 -0.65 119.26 127.24 1b80 h ALA 12 Ca -0.29 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1b80 h ALA 12 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1b80 h ALA 12 CO 0.26 0.00 -0.01 0.66 0.00 0.00 0.00 179.25 180.15 1b80 h SER 13 N 0.00 0.00 0.94 0.00 4.64 -2.00 -1.88 113.55 115.26 1b80 h SER 13 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1b80 h SER 13 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1b80 h SER 13 CO 0.00 0.01 -0.28 0.00 -0.87 0.00 0.00 176.83 175.69 1b80 h ALA 16 N 1.78 1.35 0.00 0.00 0.00 -1.78 -2.06 119.26 118.56 1b80 h ALA 16 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1b80 h ALA 16 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1b80 h ALA 16 CO -0.04 0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.13 1b80 n TRP 17 N -3.61 0.58 0.12 0.00 7.02 -0.42 -2.55 117.44 118.59 1b80 n TRP 17 Ca -0.03 0.21 -0.02 0.00 -1.02 0.00 0.00 57.50 56.65 1b80 n TRP 17 Cb 0.09 -0.84 0.22 0.00 -2.42 0.00 0.00 31.31 28.35 1b80 n TRP 17 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 1b80 h PHE 18 N 0.00 0.18 -0.44 -5.99 0.04 -1.53 0.10 116.94 109.30 1b80 h PHE 18 Ca 0.00 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1b80 h PHE 18 Cb 0.42 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1b80 h PHE 18 CO 0.00 0.60 0.15 -0.44 -0.60 0.00 0.00 178.31 178.03 1b80 h ASP 19 N 0.12 0.62 -0.44 2.17 3.32 -1.68 -1.99 116.42 118.55 1b80 h ASP 19 Ca 0.01 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.75 1b80 h ASP 19 Cb 0.89 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1b80 h ASP 19 CO 0.07 0.64 -0.20 0.58 -1.72 0.00 0.00 179.24 178.62 1b80 h VAL 20 N 0.57 1.27 -0.16 -1.35 2.07 -1.47 -2.64 116.25 114.54 1b80 h VAL 20 Ca 0.14 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1b80 h VAL 20 Cb 0.23 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1b80 h VAL 20 CO -0.01 0.46 -0.04 0.25 0.02 0.00 0.00 177.57 178.25 1b80 h LEU 21 N 0.73 -0.14 -0.88 2.57 5.85 -0.80 -0.23 115.31 122.42 1b80 h LEU 21 Ca 0.10 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1b80 h LEU 21 Cb 0.76 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1b80 h LEU 21 CO 0.06 -0.05 0.03 -0.78 -0.34 0.00 0.00 178.44 177.36 1b80 h ASP 22 N 0.00 0.82 0.19 1.25 3.58 -1.25 -0.87 116.42 120.15 1b80 h ASP 22 Ca 0.08 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1b80 h ASP 22 Cb 0.11 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1b80 h ASP 22 CO -0.16 0.87 -0.09 -0.78 -2.88 0.00 0.00 179.24 176.20 1b80 h ASP 23 N 0.80 -0.22 0.37 2.28 3.58 -1.16 -2.26 116.42 119.81 1b80 h ASP 23 Ca 0.16 -0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 1b80 h ASP 23 Cb 0.44 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1b80 h ASP 23 CO 0.02 -0.00 -0.53 0.16 -2.88 0.00 0.00 179.24 176.00 1b80 h ILE 24 N -0.43 1.36 -0.76 2.25 3.07 -0.92 0.13 117.51 122.22 1b80 h ILE 24 Ca -0.03 -1.81 -0.05 0.00 1.55 0.00 0.00 64.86 64.52 1b80 h ILE 24 Cb 0.33 1.91 -0.03 0.00 -0.27 0.00 0.00 36.82 38.75 1b80 h ILE 24 CO 0.04 0.53 0.26 1.56 -1.05 0.00 0.00 178.15 179.50 1b80 h GLN 25 N 0.14 1.16 0.15 0.16 1.08 -1.07 0.13 115.11 116.86 1b80 h GLN 25 Ca 0.00 -0.23 -0.21 0.00 -1.45 0.00 0.00 58.65 56.76 1b80 h GLN 25 Cb 0.98 -0.18 0.02 0.00 -0.05 0.00 0.00 27.48 28.26 1b80 h GLN 25 CO 0.08 0.97 -0.95 0.37 -0.95 0.00 0.00 178.83 178.34 1b80 h GLN 26 N 1.12 0.32 0.00 1.46 4.15 -1.23 0.36 115.11 121.29 1b80 h GLN 26 Ca 0.25 -0.55 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1b80 h GLN 26 Cb 0.27 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1b80 h GLN 26 CO -0.01 1.26 -1.21 0.09 -1.93 0.00 0.00 178.83 177.03 1b80 n ASN 27 N -4.06 0.77 -0.04 -0.69 3.02 0.45 -3.58 115.26 111.14 1b80 n ASN 27 Ca -0.15 -0.76 -0.05 0.00 -0.03 0.00 0.00 54.58 53.59 1b80 n ASN 27 Cb 0.86 1.20 -0.04 0.00 -0.61 0.00 0.00 39.78 41.20 1b80 n ASN 27 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1b80 n LEU 28 N -1.67 2.95 -1.46 3.41 7.94 0.28 -4.74 117.00 123.71 1b80 n LEU 28 Ca 0.02 -0.04 0.08 0.00 -1.11 0.00 0.00 56.01 54.96 1b80 n LEU 28 Cb 0.38 -0.27 0.34 0.00 0.53 0.00 0.00 43.42 44.40 1b80 n LEU 28 CO 0.43 0.62 0.80 0.49 -1.11 0.00 0.00 177.39 178.63 1b80 n PHE 29 N -2.72 1.48 -3.93 1.96 3.72 -0.18 -4.79 117.46 113.00 1b80 n PHE 29 Ca -0.14 -0.70 -0.25 0.00 -0.05 0.00 0.00 57.45 56.31 1b80 n PHE 29 Cb 0.65 -0.33 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 1b80 n PHE 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1b80 n HIS 30 N 0.54 -1.67 -2.38 1.38 8.25 -1.20 -1.12 115.22 119.01 1b80 n HIS 30 Ca 0.24 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 1b80 n HIS 30 Cb 0.96 -3.80 0.00 0.00 1.12 0.00 0.00 29.99 28.27 1b80 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b80 n GLY 31 N -1.94 0.85 2.01 -1.41 0.00 0.12 -4.38 105.19 100.45 1b80 n GLY 31 Ca -0.31 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 1b80 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b80 n GLY 32 N -0.60 0.36 3.89 -0.02 0.00 -0.92 -4.99 105.19 102.91 1b80 n GLY 32 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 1b80 n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b80 s GLN 33 N -3.76 3.69 -1.12 1.61 -0.21 -0.28 -4.76 119.66 114.84 1b80 s GLN 33 Ca 0.00 0.30 -0.03 0.00 0.02 0.00 0.00 55.36 55.66 1b80 s GLN 33 Cb 0.00 -2.44 0.26 0.00 1.00 0.00 0.00 33.01 31.83 1b80 s GLN 33 CO 0.00 -0.03 1.97 0.00 -2.12 0.00 0.00 175.29 175.12 1b80 n GLY 35 N 0.56 3.80 0.27 0.00 0.00 -1.26 -4.64 105.19 103.91 1b80 n GLY 35 Ca 0.50 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 1b80 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b80 h ALA 36 N -0.03 0.89 -0.20 4.61 0.00 -1.93 -0.84 119.26 121.77 1b80 h ALA 36 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1b80 h ALA 36 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1b80 h ALA 36 CO 0.00 0.20 -0.36 0.93 0.00 0.00 0.00 179.25 180.02 1b80 h GLU 37 N 0.83 0.42 -0.06 0.00 3.07 -1.93 -0.68 114.58 116.23 1b80 h GLU 37 Ca 0.27 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1b80 h GLU 37 Cb 0.02 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1b80 h GLU 37 CO -0.11 0.72 0.01 0.00 -1.40 0.00 0.00 179.01 178.23 1b80 h ALA 38 N 1.26 0.08 -0.52 3.43 0.00 -1.70 -1.31 119.26 120.50 1b80 h ALA 38 Ca 0.04 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1b80 h ALA 38 Cb 0.80 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1b80 h ALA 38 CO 0.06 -0.27 0.31 0.45 0.00 0.00 0.00 179.25 179.80 1b80 h HIS 39 N -0.16 0.57 -0.91 0.00 3.86 -0.90 -1.54 115.15 116.07 1b80 h HIS 39 Ca 0.02 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1b80 h HIS 39 Cb 0.29 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.53 1b80 h HIS 39 CO 0.02 0.32 0.60 0.93 0.86 0.00 0.00 177.93 180.66 1b80 h GLU 40 N 0.61 1.19 -0.71 2.45 5.08 -1.03 -1.71 114.58 120.46 1b80 h GLU 40 Ca 0.21 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1b80 h GLU 40 Cb 0.03 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1b80 h GLU 40 CO -0.10 0.79 0.38 0.77 -1.00 0.00 0.00 179.01 179.85 1b80 h SER 41 N 1.23 0.88 -0.17 1.42 0.02 -0.75 -0.78 113.55 115.40 1b80 h SER 41 Ca 0.33 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1b80 h SER 41 Cb -0.14 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 1b80 h SER 41 CO -0.07 0.72 -0.07 0.40 -1.14 0.00 0.00 176.83 176.67 1b80 h ILE 42 N 1.00 1.30 -0.78 3.27 2.04 -0.77 -2.99 117.51 120.58 1b80 h ILE 42 Ca 0.25 -1.09 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1b80 h ILE 42 Cb 0.04 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1b80 h ILE 42 CO -0.04 0.32 0.46 -0.09 0.00 0.00 0.00 178.15 178.80 1b80 h ARG 43 N 0.02 0.81 -0.83 2.37 2.43 -1.12 -2.81 114.38 115.25 1b80 h ARG 43 Ca 0.04 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1b80 h ARG 43 Cb 0.53 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1b80 h ARG 43 CO 0.02 0.54 0.54 1.25 -1.51 0.00 0.00 179.97 180.81 1b80 h LEU 44 N 0.83 0.76 -0.36 3.80 5.85 -1.02 -1.64 115.31 123.53 1b80 h LEU 44 Ca 0.35 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.12 1b80 h LEU 44 Cb 0.21 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1b80 h LEU 44 CO -0.19 0.47 0.13 0.58 -0.34 0.00 0.00 178.44 179.10 1b80 h VAL 45 N 0.85 0.91 -0.42 1.05 2.07 -1.36 0.05 116.25 119.40 1b80 h VAL 45 Ca 0.37 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.70 1b80 h VAL 45 Cb 0.32 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1b80 h VAL 45 CO -0.14 0.05 -0.09 0.15 0.02 0.00 0.00 177.57 177.56 1b80 h PHE 46 N 0.29 0.80 0.00 1.57 3.57 -1.36 -1.67 116.94 120.13 1b80 h PHE 46 Ca 0.16 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1b80 h PHE 46 Cb 0.13 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1b80 h PHE 46 CO -0.14 0.79 -0.50 0.45 -2.23 0.00 0.00 178.31 176.69 1b80 h HIS 47 N 0.67 0.00 0.03 0.41 3.86 -1.00 -1.31 115.15 117.81 1b80 h HIS 47 Ca 0.12 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1b80 h HIS 47 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1b80 h HIS 47 CO 0.03 0.50 -0.02 0.22 0.86 0.00 0.00 177.93 179.52 1b80 h ASP 48 N 0.00 -0.04 0.39 2.45 3.58 -0.88 -3.40 116.42 118.52 1b80 h ASP 48 Ca -0.01 -0.60 -0.26 0.00 0.42 0.00 0.00 57.03 56.58 1b80 h ASP 48 Cb 1.17 0.01 0.01 0.00 1.72 0.00 0.00 39.33 42.24 1b80 h ASP 48 CO 0.07 0.61 -1.14 0.28 -2.88 0.00 0.00 179.24 176.18 1b80 h SER 49 N -0.71 0.59 0.71 2.28 0.02 -1.04 -3.30 113.55 112.10 1b80 h SER 49 Ca -0.00 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1b80 h SER 49 Cb 0.64 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1b80 h SER 49 CO 0.01 1.38 0.00 0.00 -1.14 0.00 0.00 176.83 177.08 1b80 n ILE 50 N -3.68 0.51 -2.39 3.27 0.13 -0.52 -3.92 119.36 112.75 1b80 n ILE 50 Ca -0.09 0.13 -0.43 0.00 -1.10 0.00 0.00 62.75 61.26 1b80 n ILE 50 Cb 0.95 -0.76 0.00 0.00 -0.84 0.00 0.00 39.64 38.99 1b80 n ILE 50 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1b80 n ALA 51 N -1.48 4.63 -3.42 1.51 0.00 -1.24 -4.82 120.51 115.69 1b80 n ALA 51 Ca 0.06 -4.09 -0.12 0.00 0.00 0.00 0.00 53.44 49.29 1b80 n ALA 51 Cb 0.25 -3.28 -0.10 0.00 0.00 0.00 0.00 19.45 16.31 1b80 n ALA 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1b80 s ILE 52 N 2.23 -0.01 -0.29 0.00 2.07 -1.24 -2.39 121.20 121.57 1b80 s ILE 52 Ca 0.45 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.71 1b80 s ILE 52 Cb 0.06 -0.57 0.13 0.00 0.13 0.00 0.00 42.46 42.21 1b80 s ILE 52 CO -0.00 0.01 0.25 -0.55 -1.91 0.00 0.00 174.94 172.74 1b80 s SER 53 N 0.59 2.14 0.37 4.50 0.15 -0.02 -4.22 113.70 117.21 1b80 s SER 53 Ca -0.03 -0.88 0.09 0.00 0.70 0.00 0.00 55.95 55.83 1b80 s SER 53 Cb -0.05 0.29 0.84 0.00 -1.71 0.00 0.00 66.02 65.39 1b80 s SER 53 CO -0.04 -0.40 1.91 -0.65 1.20 0.00 0.00 173.24 175.27 1b80 h PRO 54 N 8.30 0.64 -0.60 5.44 0.11 -1.88 -1.84 132.00 142.17 1b80 h PRO 54 Ca -0.15 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.95 1b80 h PRO 54 Cb 1.06 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1b80 h PRO 54 CO 0.36 0.42 0.36 0.00 -0.21 0.00 0.00 178.00 178.94 1b80 h ALA 55 N 1.61 0.78 -0.54 -0.75 0.00 -1.94 -1.49 119.26 116.93 1b80 h ALA 55 Ca 0.38 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1b80 h ALA 55 Cb 0.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1b80 h ALA 55 CO -0.15 0.10 -0.09 0.52 0.00 0.00 0.00 179.25 179.62 1b80 h MET 56 N 0.72 1.00 -0.84 0.00 2.86 -1.68 -3.13 114.93 113.85 1b80 h MET 56 Ca 0.24 -0.36 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1b80 h MET 56 Cb 0.03 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 1b80 h MET 56 CO -0.11 1.03 0.54 0.93 1.06 0.00 0.00 176.91 180.37 1b80 h GLU 57 N 0.89 1.02 0.00 1.72 4.39 -0.89 -0.91 114.58 120.80 1b80 h GLU 57 Ca 0.14 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1b80 h GLU 57 Cb 0.65 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1b80 h GLU 57 CO 0.04 0.68 0.00 0.00 -1.16 0.00 0.00 179.01 178.57 1b80 h ALA 58 N 1.35 1.00 -0.58 3.43 0.00 -1.23 -0.54 119.26 122.68 1b80 h ALA 58 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1b80 h ALA 58 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1b80 h ALA 58 CO -0.11 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.18 1b80 n GLN 59 N -2.98 2.51 -0.90 0.00 6.02 -0.41 -4.94 117.38 116.68 1b80 n GLN 59 Ca -0.02 -2.33 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 1b80 n GLN 59 Cb 0.13 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1b80 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b80 n GLY 60 N 1.54 0.48 3.72 1.08 0.00 -0.21 -5.06 105.19 106.74 1b80 n GLY 60 Ca 0.21 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 1b80 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b80 s LYS 61 N -1.27 2.64 0.10 1.61 1.02 -0.80 -5.01 119.74 118.03 1b80 s LYS 61 Ca 0.00 -0.95 -0.31 0.00 0.02 0.00 0.00 55.97 54.74 1b80 s LYS 61 Cb 0.00 -2.52 -0.07 0.00 -0.52 0.00 0.00 37.83 34.72 1b80 s LYS 61 CO 0.00 0.49 1.26 0.12 -0.92 0.00 0.00 175.35 176.29 1b80 s PHE 62 N -1.63 3.38 -0.62 3.18 5.36 -1.26 -3.36 117.98 123.02 1b80 s PHE 62 Ca 0.28 1.22 0.13 0.00 -0.96 0.00 0.00 56.93 57.61 1b80 s PHE 62 Cb -0.10 -3.50 0.41 0.00 -0.34 0.00 0.00 43.02 39.48 1b80 s PHE 62 CO 0.20 -1.59 1.33 0.41 -1.46 0.00 0.00 175.22 174.11 1b80 n GLY 63 N 3.07 3.28 0.00 13.12 0.00 -1.26 -4.76 105.19 118.64 1b80 n GLY 63 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1b80 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b80 n GLY 64 N 0.11 1.21 1.23 -0.02 0.00 -1.26 -0.84 105.19 105.63 1b80 n GLY 64 Ca 0.16 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.61 1b80 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b80 n GLY 65 N 1.29 2.09 7.00 -0.02 0.00 -1.24 -4.37 105.19 109.94 1b80 n GLY 65 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1b80 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b80 n GLY 66 N 1.55 1.31 3.56 -0.02 0.00 -1.00 -4.27 105.19 106.31 1b80 n GLY 66 Ca 0.21 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1b80 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b80 n ALA 67 N 10.04 3.33 -0.50 4.61 0.00 0.55 -4.17 120.51 134.38 1b80 n ALA 67 Ca 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.72 1b80 n ALA 67 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 15.86 1b80 n ALA 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1b80 n ASP 68 N 9.26 0.86 -0.08 0.00 5.68 -1.26 -4.87 116.55 126.13 1b80 n ASP 68 Ca 0.48 -1.36 -0.01 0.00 -0.50 0.00 0.00 54.79 53.41 1b80 n ASP 68 Cb 0.46 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1b80 n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b80 n GLY 69 N -0.18 0.41 0.30 6.12 0.00 -1.26 -1.81 105.19 108.77 1b80 n GLY 69 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1b80 n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b80 h SER 70 N 0.00 0.18 0.97 1.61 4.64 -1.91 -0.42 113.55 118.63 1b80 h SER 70 Ca -0.02 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1b80 h SER 70 Cb 0.36 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1b80 h SER 70 CO 0.03 0.13 -0.01 -0.29 -0.87 0.00 0.00 176.83 175.82 1b80 h ILE 71 N 0.21 0.03 0.00 0.95 2.10 -1.90 0.23 117.51 119.13 1b80 h ILE 71 Ca 0.10 -0.52 -0.18 0.00 1.08 0.00 0.00 64.86 65.34 1b80 h ILE 71 Cb 0.13 1.50 -0.03 0.00 -1.09 0.00 0.00 36.82 37.34 1b80 h ILE 71 CO -0.02 0.01 -1.03 -0.03 -1.08 0.00 0.00 178.15 176.00 1b80 h MET 72 N 0.00 0.00 -0.54 2.19 4.05 -1.53 -3.15 114.93 115.94 1b80 h MET 72 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1b80 h MET 72 Cb 0.50 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 1b80 h MET 72 CO 0.00 0.93 0.35 0.82 0.23 0.00 0.00 176.91 179.24 1b80 h ILE 73 N -1.00 1.15 -1.18 1.77 2.04 -1.14 -3.08 117.51 116.07 1b80 h ILE 73 Ca -0.28 -0.28 -0.64 0.00 1.00 0.00 0.00 64.86 64.66 1b80 h ILE 73 Cb 1.20 0.36 -0.35 0.00 -0.74 0.00 0.00 36.82 37.29 1b80 h ILE 73 CO -0.17 0.14 0.13 0.49 0.00 0.00 0.00 178.15 178.75 1b80 n PHE 74 N -4.70 3.07 0.07 1.37 3.72 0.06 -4.83 117.46 116.23 1b80 n PHE 74 Ca 0.03 -2.67 0.04 0.00 -0.05 0.00 0.00 57.45 54.80 1b80 n PHE 74 Cb 0.03 -0.85 0.45 0.00 -0.94 0.00 0.00 39.48 38.17 1b80 n PHE 74 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1b80 h ASP 75 N 2.32 0.33 0.52 4.37 2.03 -1.49 -0.32 116.42 124.18 1b80 h ASP 75 Ca 0.48 -0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.74 1b80 h ASP 75 Cb 0.92 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 39.33 1b80 h ASP 75 CO 1.19 0.30 -0.09 -2.24 -1.03 0.00 0.00 179.24 177.37 1b80 h ASP 76 N 0.38 0.00 0.00 4.15 2.03 -1.88 -1.33 116.42 119.78 1b80 h ASP 76 Ca 0.10 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.37 1b80 h ASP 76 Cb 0.06 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1b80 h ASP 76 CO -0.01 0.09 -0.55 0.40 -1.03 0.00 0.00 179.24 178.14 1b80 h ILE 77 N 0.00 0.10 -0.27 4.15 1.08 -1.55 -3.39 117.51 117.62 1b80 h ILE 77 Ca -0.00 -1.12 -0.11 0.00 -0.39 0.00 0.00 64.86 63.23 1b80 h ILE 77 Cb 0.37 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 1b80 h ILE 77 CO 0.01 0.03 -0.30 -0.33 -0.69 0.00 0.00 178.15 176.87 1b80 h GLU 78 N -1.00 0.56 0.00 2.37 5.08 -1.12 -2.73 114.58 117.73 1b80 h GLU 78 Ca -0.03 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1b80 h GLU 78 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1b80 h GLU 78 CO -0.02 0.80 0.00 0.25 -1.00 0.00 0.00 179.01 179.04 1b80 n THR 79 N -4.08 0.12 0.59 1.13 -2.24 -0.50 -1.97 114.28 107.33 1b80 n THR 79 Ca -0.01 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1b80 n THR 79 Cb 0.45 -0.61 0.23 0.00 -2.10 0.00 0.00 70.33 68.30 1b80 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b80 n ALA 80 N -1.20 2.79 -1.77 6.98 0.00 -1.03 -4.38 120.51 121.90 1b80 n ALA 80 Ca 0.15 -0.20 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 1b80 n ALA 80 Cb 0.17 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1b80 n ALA 80 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b80 s PHE 81 N -3.15 2.95 0.23 0.00 0.08 -0.83 -4.93 117.98 112.34 1b80 s PHE 81 Ca 0.07 1.43 -0.06 0.00 0.12 0.00 0.00 56.93 58.49 1b80 s PHE 81 Cb 0.13 -3.64 0.34 0.00 -0.57 0.00 0.00 43.02 39.29 1b80 s PHE 81 CO 0.69 -1.88 1.79 1.25 -0.10 0.00 0.00 175.22 176.97 1b80 h HIS 82 N 2.98 0.72 0.00 0.36 2.76 -1.89 -0.67 115.15 119.41 1b80 h HIS 82 Ca -0.49 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1b80 h HIS 82 Cb 1.24 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.98 1b80 h HIS 82 CO 0.54 0.29 -0.02 -1.35 -1.30 0.00 0.00 177.93 176.10 1b80 h PRO 83 N 0.68 0.00 -0.65 5.26 0.11 -1.91 -2.56 132.00 132.93 1b80 h PRO 83 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1b80 h PRO 83 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1b80 h PRO 83 CO -0.25 0.02 0.00 0.09 -0.21 0.00 0.00 178.00 177.65 1b80 n ASN 84 N -3.31 4.06 -4.60 -2.05 3.02 -0.26 -4.99 115.26 107.12 1b80 n ASN 84 Ca -0.02 -2.25 -0.51 0.00 -0.03 0.00 0.00 54.58 51.77 1b80 n ASN 84 Cb 0.13 -0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 38.73 1b80 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b80 n ILE 85 N 1.17 0.15 -0.10 2.41 0.13 -0.97 -1.72 119.36 120.43 1b80 n ILE 85 Ca 0.23 -0.04 0.00 0.00 -1.10 0.00 0.00 62.75 61.84 1b80 n ILE 85 Cb 0.72 -0.93 0.00 0.00 -0.84 0.00 0.00 39.64 38.59 1b80 n ILE 85 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1b80 n GLY 86 N 2.56 1.96 0.01 4.50 0.00 -1.26 -4.90 105.19 108.06 1b80 n GLY 86 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1b80 n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b80 n LEU 87 N 0.00 0.09 0.22 0.99 4.77 -0.70 -3.39 117.00 118.98 1b80 n LEU 87 Ca 0.00 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 1b80 n LEU 87 Cb 0.00 -0.48 0.45 0.00 -2.33 0.00 0.00 43.42 41.05 1b80 n LEU 87 CO 0.00 -0.06 0.81 -0.78 -1.33 0.00 0.00 177.39 176.03 1b80 h ASP 88 N 0.00 0.00 -0.02 -1.43 3.58 -1.87 -2.31 116.42 114.37 1b80 h ASP 88 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1b80 h ASP 88 Cb 0.49 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1b80 h ASP 88 CO 0.00 0.20 0.01 -0.08 -2.88 0.00 0.00 179.24 176.49 1b80 h GLU 89 N 0.00 0.03 -0.01 0.28 4.22 -1.76 -0.71 114.58 116.63 1b80 h GLU 89 Ca -0.00 -0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.30 1b80 h GLU 89 Cb 0.77 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1b80 h GLU 89 CO 0.03 0.02 -0.62 0.97 -2.18 0.00 0.00 179.01 177.23 1b80 h ILE 90 N 0.02 1.44 -0.55 2.32 6.09 -1.68 -2.43 117.51 122.72 1b80 h ILE 90 Ca 0.01 -2.10 0.01 0.00 -1.37 0.00 0.00 64.86 61.40 1b80 h ILE 90 Cb 0.00 2.12 -0.03 0.00 0.47 0.00 0.00 36.82 39.39 1b80 h ILE 90 CO -0.00 0.60 0.36 0.58 -3.07 0.00 0.00 178.15 176.62 1b80 h VAL 91 N 0.03 1.13 -0.11 2.19 2.07 -1.22 -0.74 116.25 119.61 1b80 h VAL 91 Ca -0.01 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1b80 h VAL 91 Cb 1.10 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1b80 h VAL 91 CO 0.08 0.13 -0.27 0.11 0.02 0.00 0.00 177.57 177.65 1b80 h LYS 92 N 0.74 0.19 0.00 1.57 1.57 -1.02 -0.79 116.57 118.83 1b80 h LYS 92 Ca 0.20 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1b80 h LYS 92 Cb -0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1b80 h LYS 92 CO -0.05 0.45 -0.54 -0.07 -0.57 0.00 0.00 179.45 178.67 1b80 h LEU 93 N 0.18 0.00 0.03 2.94 3.38 -0.89 -3.29 115.31 117.66 1b80 h LEU 93 Ca 0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 1b80 h LEU 93 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1b80 h LEU 93 CO 0.04 0.54 -1.35 1.56 0.09 0.00 0.00 178.44 179.32 1b80 h GLN 94 N 0.00 0.07 -0.67 1.13 4.20 -0.54 -3.40 115.11 115.90 1b80 h GLN 94 Ca -0.01 -0.11 0.14 0.00 0.06 0.00 0.00 58.65 58.73 1b80 h GLN 94 Cb 1.18 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.89 1b80 h GLN 94 CO 0.07 0.88 -0.02 0.87 -0.67 0.00 0.00 178.83 179.96 1b80 h LYS 95 N 0.02 0.10 -0.12 1.46 1.57 -1.23 -1.19 116.57 117.17 1b80 h LYS 95 Ca -0.15 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1b80 h LYS 95 Cb 1.91 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.19 1b80 h LYS 95 CO 0.12 0.06 0.02 -1.35 -0.57 0.00 0.00 179.45 177.74 1b80 h PRO 96 N 0.10 0.17 -0.15 3.15 0.11 -1.78 -1.94 132.00 131.67 1b80 h PRO 96 Ca 0.35 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.32 1b80 h PRO 96 Cb 0.58 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1b80 h PRO 96 CO -0.59 0.17 -0.45 0.74 -0.21 0.00 0.00 178.00 177.66 1b80 h PHE 97 N 0.17 0.43 -0.17 0.65 0.04 -1.48 -1.14 116.94 115.44 1b80 h PHE 97 Ca 0.04 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 1b80 h PHE 97 Cb 0.09 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1b80 h PHE 97 CO 0.00 0.75 0.03 0.28 -0.60 0.00 0.00 178.31 178.78 1b80 h VAL 98 N 0.29 1.22 -0.01 -0.55 2.07 -1.29 -2.50 116.25 115.47 1b80 h VAL 98 Ca 0.02 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1b80 h VAL 98 Cb 0.92 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1b80 h VAL 98 CO 0.08 0.21 0.01 -0.61 0.02 0.00 0.00 177.57 177.27 1b80 h GLN 99 N 0.08 0.02 -0.81 1.57 4.15 -1.36 -1.90 115.11 116.86 1b80 h GLN 99 Ca 0.05 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.52 1b80 h GLN 99 Cb 0.29 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 1b80 h GLN 99 CO 0.00 0.12 0.53 -0.22 -1.93 0.00 0.00 178.83 177.33 1b80 h LYS 100 N -0.09 0.93 -0.02 1.69 3.64 -1.20 -3.14 116.57 118.38 1b80 h LYS 100 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1b80 h LYS 100 Cb 0.11 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1b80 h LYS 100 CO -0.00 0.62 -0.16 0.72 -2.27 0.00 0.00 179.45 178.35 1b80 n HIS 101 N -4.46 0.00 -3.09 1.91 8.25 -0.95 -5.00 115.22 111.89 1b80 n HIS 101 Ca 0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.37 1b80 n HIS 101 Cb 0.15 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.31 1b80 n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b80 n GLY 102 N 1.21 -0.36 3.81 -1.41 0.00 -0.72 -5.02 105.19 102.69 1b80 n GLY 102 Ca 0.10 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1b80 n GLY 102 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b80 s VAL 103 N -3.16 4.01 0.40 1.61 -7.23 -1.23 -5.10 120.40 109.69 1b80 s VAL 103 Ca 0.34 -1.46 -0.24 0.00 -1.81 0.00 0.00 61.98 58.81 1b80 s VAL 103 Cb -0.15 -3.26 -0.09 0.00 0.56 0.00 0.00 36.38 33.44 1b80 s VAL 103 CO 0.43 -0.29 1.03 0.42 -0.31 0.00 0.00 175.10 176.38 1b80 s THR 104 N -2.22 3.81 0.27 5.32 -4.23 -1.26 -4.85 115.64 112.47 1b80 s THR 104 Ca 0.35 1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 62.22 1b80 s THR 104 Cb -0.07 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.34 1b80 s THR 104 CO 0.25 -0.01 1.85 -0.65 -0.54 0.00 0.00 174.62 175.52 1b80 h PRO 105 N 2.49 1.00 -0.48 3.99 0.11 -1.89 -1.05 132.00 136.17 1b80 h PRO 105 Ca -0.48 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1b80 h PRO 105 Cb 1.21 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1b80 h PRO 105 CO 0.62 0.66 0.16 0.78 -0.21 0.00 0.00 178.00 180.01 1b80 h GLY 106 N 1.03 0.80 1.12 -0.55 0.00 -1.82 -0.93 103.07 102.72 1b80 h GLY 106 Ca 0.46 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 1b80 h GLY 106 CO -0.23 0.44 -0.09 -0.55 0.00 0.00 0.00 176.54 176.11 1b80 h ASP 107 N 0.65 1.03 -0.64 0.19 3.32 -1.71 -2.54 116.42 116.72 1b80 h ASP 107 Ca 0.16 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1b80 h ASP 107 Cb 0.26 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1b80 h ASP 107 CO -0.01 1.13 0.38 0.15 -1.72 0.00 0.00 179.24 179.18 1b80 h PHE 108 N 0.92 0.85 -0.57 4.55 3.57 -0.85 0.34 116.94 125.75 1b80 h PHE 108 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1b80 h PHE 108 Cb 0.66 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1b80 h PHE 108 CO 0.04 0.58 0.34 0.82 -2.23 0.00 0.00 178.31 177.86 1b80 h ILE 109 N 0.87 1.18 -0.18 1.41 2.04 -1.04 0.74 117.51 122.53 1b80 h ILE 109 Ca 0.23 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 1b80 h ILE 109 Cb -0.02 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1b80 h ILE 109 CO -0.04 0.18 -0.25 0.00 0.00 0.00 0.00 178.15 178.04 1b80 h ALA 110 N 1.16 1.25 -0.11 1.87 0.00 -1.19 -1.83 119.26 120.40 1b80 h ALA 110 Ca 0.20 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1b80 h ALA 110 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1b80 h ALA 110 CO -0.04 0.50 -0.09 0.35 0.00 0.00 0.00 179.25 179.97 1b80 h PHE 111 N 0.29 0.31 -0.52 0.00 3.57 -0.24 -2.40 116.94 117.95 1b80 h PHE 111 Ca 0.05 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1b80 h PHE 111 Cb 0.61 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1b80 h PHE 111 CO 0.01 0.66 0.15 0.00 -2.23 0.00 0.00 178.31 176.90 1b80 h ALA 112 N 0.60 1.28 -0.59 2.41 0.00 -0.82 0.49 119.26 122.63 1b80 h ALA 112 Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1b80 h ALA 112 Cb 0.60 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1b80 h ALA 112 CO 0.02 0.51 0.02 0.78 0.00 0.00 0.00 179.25 180.59 1b80 h GLY 113 N 0.93 1.11 1.02 0.00 0.00 -1.27 0.06 103.07 104.92 1b80 h GLY 113 Ca 0.17 -0.80 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 1b80 h GLY 113 CO -0.01 0.74 -0.25 0.00 0.00 0.00 0.00 176.54 177.03 1b80 h ALA 114 N 0.99 0.51 -0.45 3.60 0.00 -0.89 -2.10 119.26 120.91 1b80 h ALA 114 Ca 0.17 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1b80 h ALA 114 Cb 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1b80 h ALA 114 CO 0.03 0.50 -0.05 0.28 0.00 0.00 0.00 179.25 180.00 1b80 h VAL 115 N 0.58 1.27 -0.52 0.00 2.07 -0.86 -1.27 116.25 117.53 1b80 h VAL 115 Ca 0.07 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.50 1b80 h VAL 115 Cb 0.81 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1b80 h VAL 115 CO 0.07 0.39 0.24 0.00 0.02 0.00 0.00 177.57 178.29 1b80 h ALA 116 N 0.89 0.66 -0.37 1.67 0.00 -0.94 -1.63 119.26 119.53 1b80 h ALA 116 Ca 0.12 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1b80 h ALA 116 Cb 0.58 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1b80 h ALA 116 CO 0.03 -0.12 -0.02 -0.07 0.00 0.00 0.00 179.25 179.07 1b80 h LEU 117 N 0.47 0.57 -2.41 0.00 3.38 -1.16 -2.14 115.31 114.02 1b80 h LEU 117 Ca 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1b80 h LEU 117 Cb 0.18 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1b80 h LEU 117 CO -0.19 0.66 -0.02 0.77 0.09 0.00 0.00 178.44 179.75 1b80 h SER 118 N 0.57 0.00 1.37 -0.43 4.64 -0.27 -0.60 113.55 118.83 1b80 h SER 118 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1b80 h SER 118 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1b80 h SER 118 CO 0.02 0.02 0.00 0.78 -0.87 0.00 0.00 176.83 176.78 1b80 h ASN 119 N 0.00 0.00 -3.65 4.97 -0.26 -0.97 -3.39 115.58 112.27 1b80 h ASN 119 Ca -0.00 0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 55.07 1b80 h ASN 119 Cb 0.17 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.26 1b80 h ASN 119 CO 0.00 0.00 -0.30 0.00 -1.06 0.00 0.00 177.43 176.07 1b80 n PRO 121 N 5.37 1.10 0.00 0.00 -0.02 -1.25 -1.60 135.00 138.60 1b80 n PRO 121 Ca -0.09 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1b80 n PRO 121 Cb 0.49 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1b80 n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b80 n GLY 122 N 1.64 1.27 3.75 -1.23 0.00 -0.02 -0.90 105.19 109.69 1b80 n GLY 122 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1b80 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b80 s ALA 123 N -2.34 2.16 0.98 4.61 0.00 -0.63 -4.80 121.76 121.74 1b80 s ALA 123 Ca 0.00 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 1b80 s ALA 123 Cb 0.00 -3.33 0.18 0.00 0.00 0.00 0.00 23.12 19.96 1b80 s ALA 123 CO 0.00 -1.84 1.08 -2.14 0.00 0.00 0.00 175.76 172.87 1b80 s PRO 124 N -4.57 0.54 -0.36 0.00 0.02 -1.26 -4.75 135.00 124.62 1b80 s PRO 124 Ca 0.65 0.85 -0.29 0.00 0.02 0.00 0.00 61.00 62.23 1b80 s PRO 124 Cb -0.20 -1.72 0.01 0.00 0.02 0.00 0.00 34.50 32.60 1b80 s PRO 124 CO 0.52 -2.74 1.35 -1.14 -0.33 0.00 0.00 177.00 174.66 1b80 s GLN 125 N -4.79 3.75 0.24 5.54 2.00 -1.26 -4.73 119.66 120.40 1b80 s GLN 125 Ca 0.65 1.08 -0.18 0.00 -2.00 0.00 0.00 55.36 54.91 1b80 s GLN 125 Cb -0.20 -3.95 -0.08 0.00 0.80 0.00 0.00 33.01 29.57 1b80 s GLN 125 CO 0.59 -1.34 0.71 -1.64 -0.50 0.00 0.00 175.29 173.11 1b80 s MET 126 N 4.55 4.18 0.45 1.67 -1.94 -1.26 -4.99 119.30 121.97 1b80 s MET 126 Ca 0.58 0.80 -0.00 0.00 -1.71 0.00 0.00 55.69 55.36 1b80 s MET 126 Cb -0.15 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 33.89 1b80 s MET 126 CO 0.28 0.35 0.68 -0.80 -0.01 0.00 0.00 175.02 175.53 1b80 s ASN 127 N -1.78 5.87 -0.23 3.03 0.01 -1.26 -4.80 114.94 115.78 1b80 s ASN 127 Ca 0.45 0.36 -0.05 0.00 -0.71 0.00 0.00 52.86 52.91 1b80 s ASN 127 Cb -0.15 -1.62 0.12 0.00 0.41 0.00 0.00 41.25 40.01 1b80 s ASN 127 CO 0.20 -0.69 0.43 0.12 -1.51 0.00 0.00 177.10 175.66 1b80 s PHE 128 N -2.58 -0.91 0.13 2.20 5.36 -1.26 -4.86 117.98 116.07 1b80 s PHE 128 Ca 0.48 1.35 0.08 0.00 -0.96 0.00 0.00 56.93 57.89 1b80 s PHE 128 Cb -0.10 0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 42.80 1b80 s PHE 128 CO 0.39 -0.61 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.35 1b80 s PHE 129 N 2.63 2.62 0.31 10.12 0.40 -1.26 -0.37 117.98 132.42 1b80 s PHE 129 Ca 0.05 -0.22 0.09 0.00 -0.60 0.00 0.00 56.93 56.25 1b80 s PHE 129 Cb -0.13 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 42.00 1b80 s PHE 129 CO -0.15 0.44 0.02 0.95 0.70 0.00 0.00 175.22 177.19 1b80 s THR 130 N -1.34 3.05 0.00 0.64 -4.23 -0.07 -4.90 115.64 108.78 1b80 s THR 130 Ca 0.21 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1b80 s THR 130 Cb -0.10 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1b80 s THR 130 CO 0.13 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1b80 n GLY 131 N -0.96 1.02 3.59 3.99 0.00 -1.26 -1.55 105.19 110.02 1b80 n GLY 131 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1b80 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b80 s ARG 132 N 0.00 3.76 0.71 1.61 0.52 -1.26 -4.98 118.95 119.31 1b80 s ARG 132 Ca 0.00 0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 55.34 1b80 s ARG 132 Cb 0.00 -3.80 0.03 0.00 0.52 0.00 0.00 34.95 31.70 1b80 s ARG 132 CO 0.00 -0.80 1.15 0.00 0.02 0.00 0.00 175.30 175.67 1b80 s ALA 133 N 2.99 2.24 0.35 2.13 0.00 -1.26 -4.52 121.76 123.69 1b80 s ALA 133 Ca 0.30 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 1b80 s ALA 133 Cb -0.14 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 1b80 s ALA 133 CO 0.16 -1.66 1.46 -2.14 0.00 0.00 0.00 175.76 173.59 1b80 s PRO 134 N -4.09 4.17 0.58 0.00 0.02 -1.26 -4.78 135.00 129.63 1b80 s PRO 134 Ca 0.70 2.49 -0.20 0.00 0.02 0.00 0.00 61.00 64.01 1b80 s PRO 134 Cb -0.24 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 1b80 s PRO 134 CO 0.45 -0.48 1.32 0.00 -0.33 0.00 0.00 177.00 177.96 1b80 s ALA 135 N -0.91 2.65 -0.09 -1.55 0.00 -0.75 -4.96 121.76 116.15 1b80 s ALA 135 Ca 0.54 1.25 0.21 0.00 0.00 0.00 0.00 51.96 53.96 1b80 s ALA 135 Cb -0.45 -3.55 -0.28 0.00 0.00 0.00 0.00 23.12 18.84 1b80 s ALA 135 CO 0.58 -1.41 0.47 0.25 0.00 0.00 0.00 175.76 175.65 1b80 n THR 136 N -1.37 0.42 -3.87 0.00 -2.24 -1.26 -4.95 114.28 101.01 1b80 n THR 136 Ca 0.12 -0.59 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 1b80 n THR 136 Cb 0.47 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 1b80 n THR 136 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1b80 s GLN 137 N -3.25 0.46 0.75 -0.78 -0.21 -1.26 -5.15 119.66 110.22 1b80 s GLN 137 Ca -0.07 -0.38 -0.13 0.00 0.02 0.00 0.00 55.36 54.79 1b80 s GLN 137 Cb 0.12 0.19 0.05 0.00 1.00 0.00 0.00 33.01 34.36 1b80 s GLN 137 CO 0.88 -0.11 1.15 -1.25 -2.12 0.00 0.00 175.29 173.84 1b80 s PRO 138 N -1.32 2.17 0.48 2.91 0.04 -1.26 -4.80 135.00 133.23 1b80 s PRO 138 Ca -0.14 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 1b80 s PRO 138 Cb -0.07 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1b80 s PRO 138 CO 0.01 -1.76 1.09 0.00 0.04 0.00 0.00 177.00 176.38 1b80 s ALA 139 N -2.37 2.88 0.78 8.56 0.00 -1.26 -4.80 121.76 125.56 1b80 s ALA 139 Ca 0.68 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 1b80 s ALA 139 Cb -0.23 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.65 1b80 s ALA 139 CO 0.48 -0.47 1.13 -2.14 0.00 0.00 0.00 175.76 174.76 1b80 s PRO 140 N -3.01 2.02 0.74 0.00 0.02 -1.26 -4.90 135.00 128.60 1b80 s PRO 140 Ca 0.66 1.39 -0.10 0.00 0.02 0.00 0.00 61.00 62.97 1b80 s PRO 140 Cb -0.21 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.50 1b80 s PRO 140 CO 0.26 -1.86 1.10 0.34 -0.33 0.00 0.00 177.00 176.51 1b80 s ASP 141 N -2.87 4.96 0.00 2.53 2.15 -1.26 -4.35 116.67 117.83 1b80 s ASP 141 Ca 0.65 0.84 0.00 0.00 0.43 0.00 0.00 52.55 54.47 1b80 s ASP 141 Cb -0.21 -1.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 1b80 s ASP 141 CO 0.52 -1.60 0.00 0.61 -0.17 0.00 0.00 175.17 174.54 1b80 n GLY 142 N -3.09 0.72 0.00 2.66 0.00 -1.26 -4.95 105.19 99.28 1b80 n GLY 142 Ca 0.07 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1b80 n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b80 n LEU 143 N 0.00 0.33 -4.49 0.99 4.77 -1.26 -4.92 117.00 112.42 1b80 n LEU 143 Ca 0.00 -0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 55.34 1b80 n LEU 143 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1b80 n LEU 143 CO 0.00 0.08 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.14 1b80 s VAL 144 N -2.43 4.17 0.62 4.08 1.01 -1.26 -4.63 120.40 121.96 1b80 s VAL 144 Ca 0.01 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1b80 s VAL 144 Cb 0.09 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1b80 s VAL 144 CO 0.50 0.42 1.32 -2.84 0.00 0.00 0.00 175.10 174.50 1b80 s PRO 145 N 0.94 2.68 0.19 2.72 0.02 -1.26 -4.81 135.00 135.48 1b80 s PRO 145 Ca 0.02 2.13 0.07 0.00 0.02 0.00 0.00 61.00 63.24 1b80 s PRO 145 Cb -0.14 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1b80 s PRO 145 CO 0.02 -1.51 0.03 -1.21 -0.33 0.00 0.00 177.00 174.00 1b80 s GLU 146 N -3.26 2.49 0.59 5.54 0.41 -1.26 -4.91 118.70 118.30 1b80 s GLU 146 Ca 0.80 -1.11 0.37 0.00 -0.41 0.00 0.00 54.97 54.62 1b80 s GLU 146 Cb -0.39 -2.38 1.73 0.00 -1.78 0.00 0.00 34.13 31.31 1b80 s GLU 146 CO 0.42 0.44 2.12 -1.00 -0.49 0.00 0.00 175.26 176.75 1b80 h PRO 147 N 2.47 0.00 -0.34 0.39 0.13 -1.96 -1.89 132.00 130.80 1b80 h PRO 147 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1b80 h PRO 147 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1b80 h PRO 147 CO 0.59 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.33 1b80 n PHE 148 N -3.08 0.43 -1.97 1.56 1.16 -1.26 -1.54 117.46 112.76 1b80 n PHE 148 Ca -0.01 -0.22 -0.34 0.00 -1.87 0.00 0.00 57.45 55.02 1b80 n PHE 148 Cb 0.22 -0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.12 1b80 n PHE 148 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 1b80 s HIS 149 N -1.56 2.61 0.77 2.97 3.76 -0.71 -5.02 115.29 118.11 1b80 s HIS 149 Ca 0.37 1.55 -0.11 0.00 -0.15 0.00 0.00 55.06 56.72 1b80 s HIS 149 Cb 0.22 -3.25 0.05 0.00 1.11 0.00 0.00 32.58 30.72 1b80 s HIS 149 CO 0.31 -1.70 1.08 0.95 -0.85 0.00 0.00 174.74 174.54 1b80 s THR 150 N -2.05 3.44 0.19 1.30 -4.23 -1.26 -4.75 115.64 108.28 1b80 s THR 150 Ca 0.70 0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 61.56 1b80 s THR 150 Cb -0.23 -3.06 0.11 0.00 1.34 0.00 0.00 72.50 70.66 1b80 s THR 150 CO 0.35 -0.61 1.85 0.58 -0.54 0.00 0.00 174.62 176.25 1b80 h VAL 151 N -1.05 1.15 -0.34 2.29 2.07 -1.95 -1.78 116.25 116.64 1b80 h VAL 151 Ca -0.45 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1b80 h VAL 151 Cb 1.23 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1b80 h VAL 151 CO 0.54 0.15 0.16 0.44 0.02 0.00 0.00 177.57 178.88 1b80 h ASP 152 N 0.84 0.41 0.10 0.57 3.32 -1.99 -0.33 116.42 119.33 1b80 h ASP 152 Ca 0.23 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 1b80 h ASP 152 Cb -0.08 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1b80 h ASP 152 CO -0.06 0.36 -0.70 -0.61 -1.72 0.00 0.00 179.24 176.51 1b80 h GLN 153 N 0.47 0.55 -0.26 3.56 4.15 -1.80 -1.69 115.11 120.09 1b80 h GLN 153 Ca 0.12 -0.42 -0.11 0.00 0.77 0.00 0.00 58.65 59.01 1b80 h GLN 153 Cb 0.06 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1b80 h GLN 153 CO -0.02 1.05 -0.27 0.82 -1.93 0.00 0.00 178.83 178.48 1b80 h ILE 154 N 0.38 1.31 -0.38 2.39 2.04 -0.76 -0.70 117.51 121.79 1b80 h ILE 154 Ca -0.03 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.43 1b80 h ILE 154 Cb 1.29 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 1b80 h ILE 154 CO 0.13 0.46 0.13 0.40 0.00 0.00 0.00 178.15 179.26 1b80 h ILE 155 N 0.36 0.88 -0.60 -0.67 2.04 -1.02 -1.97 117.51 116.53 1b80 h ILE 155 Ca 0.04 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1b80 h ILE 155 Cb 0.84 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1b80 h ILE 155 CO 0.07 0.05 0.15 0.78 0.00 0.00 0.00 178.15 179.20 1b80 h ASN 156 N 0.28 0.87 -0.16 1.72 -0.26 -1.19 -1.87 115.58 114.97 1b80 h ASN 156 Ca 0.17 -0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1b80 h ASN 156 Cb 0.16 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 1b80 h ASN 156 CO -0.18 0.84 0.10 -0.09 -1.06 0.00 0.00 177.43 177.04 1b80 h ARG 157 N 0.89 0.22 0.00 0.81 9.65 -0.75 0.06 114.38 125.25 1b80 h ARG 157 Ca 0.19 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1b80 h ARG 157 Cb 0.31 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1b80 h ARG 157 CO -0.00 0.17 -0.01 -0.39 2.80 0.00 0.00 179.97 182.53 1b80 h VAL 158 N 0.20 0.02 -0.15 0.20 -1.51 -1.20 -1.70 116.25 112.12 1b80 h VAL 158 Ca 0.06 -0.87 -0.17 0.00 -1.23 0.00 0.00 66.70 64.49 1b80 h VAL 158 Cb 0.00 1.85 0.01 0.00 -2.13 0.00 0.00 31.29 31.02 1b80 h VAL 158 CO -0.01 0.01 -0.56 -1.13 -1.23 0.00 0.00 177.57 174.65 1b80 h ASN 159 N 0.00 0.75 -0.07 4.19 -1.24 -1.01 -2.24 115.58 115.96 1b80 h ASN 159 Ca -0.00 -0.61 -0.00 0.00 0.71 0.00 0.00 56.30 56.39 1b80 h ASN 159 Cb 0.85 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.68 1b80 h ASN 159 CO 0.00 1.24 0.03 -0.78 -1.29 0.00 0.00 177.43 176.63 1b80 h ASP 160 N 0.31 0.10 -0.65 1.15 3.58 -0.83 -0.87 116.42 119.21 1b80 h ASP 160 Ca -0.03 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 1b80 h ASP 160 Cb 1.19 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.19 1b80 h ASP 160 CO 0.12 0.21 0.33 0.00 -2.88 0.00 0.00 179.24 177.02 1b80 h ALA 161 N 0.89 0.83 0.00 -0.78 0.00 -1.31 -3.39 119.26 115.50 1b80 h ALA 161 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1b80 h ALA 161 Cb 0.15 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1b80 h ALA 161 CO -0.00 0.38 -0.38 0.41 0.00 0.00 0.00 179.25 179.65 1b80 n GLY 162 N -0.99 0.73 2.39 0.00 0.00 -0.87 -4.84 105.19 101.60 1b80 n GLY 162 Ca 0.05 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1b80 n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b80 n GLU 163 N 0.06 -1.37 -2.67 1.61 1.02 -0.33 -4.98 120.64 113.98 1b80 n GLU 163 Ca -0.02 0.93 -0.40 0.00 -0.02 0.00 0.00 57.16 57.66 1b80 n GLU 163 Cb 0.69 -5.36 -0.06 0.00 -0.02 0.00 0.00 31.44 26.69 1b80 n GLU 163 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1b80 s PHE 164 N -2.83 3.85 0.35 -0.32 0.08 -1.05 -4.92 117.98 113.14 1b80 s PHE 164 Ca 0.00 1.85 0.02 0.00 0.12 0.00 0.00 56.93 58.92 1b80 s PHE 164 Cb 0.00 -3.07 0.07 0.00 -0.57 0.00 0.00 43.02 39.45 1b80 s PHE 164 CO 0.00 0.15 0.49 -0.40 -0.10 0.00 0.00 175.22 175.35 1b80 n ASP 165 N 1.33 0.87 0.21 1.36 5.75 -1.26 -3.36 116.55 121.45 1b80 n ASP 165 Ca -0.01 -1.69 0.07 0.00 -0.01 0.00 0.00 54.79 53.15 1b80 n ASP 165 Cb 0.47 -0.30 0.44 0.00 -1.03 0.00 0.00 41.12 40.70 1b80 n ASP 165 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1b80 h GLU 166 N 0.00 0.00 -0.15 0.11 4.11 -1.96 -2.26 114.58 114.43 1b80 h GLU 166 Ca -0.16 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.15 1b80 h GLU 166 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1b80 h GLU 166 CO 0.19 0.31 -0.37 -0.07 0.07 0.00 0.00 179.01 179.14 1b80 h LEU 167 N 0.00 0.58 -1.58 3.06 3.38 -1.94 -3.05 115.31 115.76 1b80 h LEU 167 Ca -0.00 -0.58 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 1b80 h LEU 167 Cb 0.69 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1b80 h LEU 167 CO 0.04 1.06 -0.23 -0.33 0.09 0.00 0.00 178.44 179.07 1b80 h GLU 168 N 0.14 0.00 -0.47 1.13 5.08 -1.84 -2.50 114.58 116.11 1b80 h GLU 168 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1b80 h GLU 168 Cb 0.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1b80 h GLU 168 CO 0.08 0.23 0.31 1.25 -1.00 0.00 0.00 179.01 179.88 1b80 h LEU 169 N 0.00 0.54 -1.64 1.33 5.85 -1.37 -1.02 115.31 119.00 1b80 h LEU 169 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1b80 h LEU 169 Cb 0.44 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1b80 h LEU 169 CO 0.03 0.39 0.00 0.52 -0.34 0.00 0.00 178.44 179.04 1b80 n VAL 170 N -4.76 0.01 0.00 1.05 0.31 -0.94 -2.52 118.33 111.47 1b80 n VAL 170 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1b80 n VAL 170 Cb 0.02 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 1b80 n VAL 170 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1b80 n MET 172 N 0.81 0.00 0.00 5.55 0.00 -0.39 -3.38 117.12 119.72 1b80 n MET 172 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.78 1b80 n MET 172 Cb 0.01 0.00 0.42 0.00 0.00 0.00 0.00 33.22 33.64 1b80 n MET 172 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1b80 n LEU 173 N 0.00 0.00 0.32 3.17 4.77 -1.05 -2.77 117.00 121.44 1b80 n LEU 173 Ca 0.00 0.26 0.19 0.00 -0.03 0.00 0.00 56.01 56.43 1b80 n LEU 173 Cb 0.00 -0.26 1.07 0.00 -2.33 0.00 0.00 43.42 41.90 1b80 n LEU 173 CO 0.00 -0.12 1.15 0.28 -1.33 0.00 0.00 177.39 177.37 1b80 h SER 174 N 0.00 0.00 0.00 -1.43 0.02 -1.87 -1.52 113.55 108.75 1b80 h SER 174 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b80 h SER 174 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1b80 h SER 174 CO 0.00 0.00 0.03 0.00 -1.14 0.00 0.00 176.83 175.72 1b80 h ALA 175 N 2.00 1.03 0.00 3.77 0.00 -1.89 0.39 119.26 124.56 1b80 h ALA 175 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b80 h ALA 175 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1b80 h ALA 175 CO 0.00 -0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1b80 n HIS 176 N -2.90 0.00 0.34 0.00 -0.00 -0.57 -1.71 115.22 110.38 1b80 n HIS 176 Ca -0.03 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.83 1b80 n HIS 176 Cb 0.09 -0.15 0.43 0.00 -0.00 0.00 0.00 29.99 30.36 1b80 n HIS 176 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1b80 h SER 177 N 0.00 0.00 -2.14 0.41 0.87 -1.11 -3.33 113.55 108.25 1b80 h SER 177 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 1b80 h SER 177 Cb 0.09 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 61.64 1b80 h SER 177 CO 0.00 0.00 -0.85 1.33 -0.53 0.00 0.00 176.83 176.78 1b80 n VAL 178 N -2.80 1.36 -3.52 2.23 0.24 -0.69 -4.20 118.33 110.94 1b80 n VAL 178 Ca 0.03 -4.93 -0.17 0.00 -2.04 0.00 0.00 64.34 57.24 1b80 n VAL 178 Cb 0.39 -1.49 -0.06 0.00 -1.47 0.00 0.00 33.84 31.22 1b80 n VAL 178 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b80 s ALA 179 N -2.46 -1.68 0.13 2.33 0.00 -1.25 -4.71 121.76 114.12 1b80 s ALA 179 Ca 0.41 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.49 1b80 s ALA 179 Cb 0.23 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1b80 s ALA 179 CO -0.08 -0.43 0.03 0.00 0.00 0.00 0.00 175.76 175.28 1b80 s ALA 180 N -1.61 0.98 -0.20 0.00 0.00 -1.26 -1.70 121.76 117.96 1b80 s ALA 180 Ca -0.09 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 1b80 s ALA 180 Cb -0.00 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1b80 s ALA 180 CO 0.06 -0.42 -0.07 0.08 0.00 0.00 0.00 175.76 175.42 1b80 s VAL 181 N -3.91 3.24 -0.08 0.00 1.01 0.64 -4.88 120.40 116.42 1b80 s VAL 181 Ca 0.22 -0.55 0.15 0.00 0.00 0.00 0.00 61.98 61.80 1b80 s VAL 181 Cb 0.07 -2.45 -0.22 0.00 0.00 0.00 0.00 36.38 33.78 1b80 s VAL 181 CO 0.01 0.45 0.21 0.59 0.00 0.00 0.00 175.10 176.36 1b80 n ASN 182 N 4.59 1.27 0.00 3.32 3.02 -1.26 -1.15 115.26 125.04 1b80 n ASN 182 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1b80 n ASN 182 Cb 0.51 1.33 0.00 0.00 -0.61 0.00 0.00 39.78 41.01 1b80 n ASN 182 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1b80 n ASP 183 N -2.30 1.58 -0.03 6.41 8.00 -1.26 -4.44 116.55 124.51 1b80 n ASP 183 Ca -0.13 -1.59 -0.20 0.00 0.71 0.00 0.00 54.79 53.57 1b80 n ASP 183 Cb 0.69 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.66 1b80 n ASP 183 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1b80 h VAL 184 N 0.02 1.13 -3.62 2.53 2.07 -1.90 -3.42 116.25 113.06 1b80 h VAL 184 Ca 0.00 -2.35 -0.66 0.00 0.82 0.00 0.00 66.70 64.52 1b80 h VAL 184 Cb 0.30 2.72 -0.16 0.00 -1.52 0.00 0.00 31.29 32.63 1b80 h VAL 184 CO 0.00 0.60 -0.16 -0.62 0.02 0.00 0.00 177.57 177.42 1b80 s ASP 185 N -6.87 6.25 0.57 0.57 -1.08 -1.26 -4.80 116.67 110.05 1b80 s ASP 185 Ca -0.22 -0.18 0.26 0.00 -0.52 0.00 0.00 52.55 51.90 1b80 s ASP 185 Cb 0.04 -2.24 1.60 0.00 -1.46 0.00 0.00 42.92 40.86 1b80 s ASP 185 CO 0.72 -0.44 2.14 1.55 0.52 0.00 0.00 175.17 179.66 1b80 h PRO 186 N 8.50 0.00 -0.00 4.34 0.13 -1.91 -2.97 132.00 140.09 1b80 h PRO 186 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1b80 h PRO 186 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1b80 h PRO 186 CO 0.75 0.00 -0.65 0.25 -0.23 0.00 0.00 178.00 178.12 1b80 n THR 187 N -4.03 0.00 -3.69 1.56 -2.24 -1.26 -4.92 114.28 99.70 1b80 n THR 187 Ca 0.00 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1b80 n THR 187 Cb 0.24 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 68.89 1b80 n THR 187 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b80 s VAL 188 N -2.97 -0.01 -0.01 2.28 0.11 -1.12 -5.07 120.40 113.61 1b80 s VAL 188 Ca 0.11 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1b80 s VAL 188 Cb 0.17 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1b80 s VAL 188 CO 0.75 0.01 0.05 -1.10 -3.33 0.00 0.00 175.10 171.47 1b80 s GLN 189 N 0.74 2.98 0.00 1.54 -0.21 -1.26 -4.57 119.66 118.88 1b80 s GLN 189 Ca -0.04 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 54.83 1b80 s GLN 189 Cb -0.05 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 31.16 1b80 s GLN 189 CO -0.05 0.65 0.00 0.41 -2.12 0.00 0.00 175.29 174.17 1b80 n GLY 190 N 1.36 1.08 3.66 3.09 0.00 -0.30 -4.63 105.19 109.45 1b80 n GLY 190 Ca -0.14 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1b80 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b80 s LEU 191 N 0.00 4.11 0.69 0.99 1.43 -0.98 -1.06 118.68 123.86 1b80 s LEU 191 Ca 0.00 1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 54.18 1b80 s LEU 191 Cb 0.00 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.88 1b80 s LEU 191 CO 0.00 -0.55 1.11 -2.84 0.23 0.00 0.00 176.35 174.30 1b80 s PRO 192 N 2.82 2.63 0.27 1.29 0.02 -1.25 -0.26 135.00 140.52 1b80 s PRO 192 Ca 0.40 1.36 0.18 0.00 0.02 0.00 0.00 61.00 62.96 1b80 s PRO 192 Cb -0.16 -1.93 0.09 0.00 0.02 0.00 0.00 34.50 32.52 1b80 s PRO 192 CO 0.08 -1.38 1.32 0.74 -0.33 0.00 0.00 177.00 177.43 1b80 h PHE 193 N -0.26 0.00 -4.55 6.54 0.04 -1.55 -1.90 116.94 115.26 1b80 h PHE 193 Ca -0.46 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.06 1b80 h PHE 193 Cb 1.25 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.25 1b80 h PHE 193 CO 0.55 0.31 -0.58 0.16 -0.60 0.00 0.00 178.31 178.15 1b80 s ASP 194 N -6.11 0.25 0.00 2.17 1.47 -1.26 -4.80 116.67 108.39 1b80 s ASP 194 Ca 0.03 -1.39 0.30 0.00 1.18 0.00 0.00 52.55 52.67 1b80 s ASP 194 Cb 0.07 0.41 1.79 0.00 -0.34 0.00 0.00 42.92 44.85 1b80 s ASP 194 CO 0.74 -0.88 2.13 -1.54 0.68 0.00 0.00 175.17 176.31 1b80 n SER 195 N -0.38 0.00 -3.11 2.11 3.41 -1.26 -3.92 113.62 110.48 1b80 n SER 195 Ca 0.02 -0.97 -0.24 0.00 -0.26 0.00 0.00 58.87 57.42 1b80 n SER 195 Cb 0.65 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 1b80 n SER 195 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b80 n THR 196 N -0.99 1.56 0.32 6.66 -2.24 -1.26 -4.94 114.28 113.38 1b80 n THR 196 Ca 0.23 -5.06 0.07 0.00 -2.27 0.00 0.00 64.05 57.01 1b80 n THR 196 Cb 0.10 -1.15 0.32 0.00 -2.10 0.00 0.00 70.33 67.50 1b80 n THR 196 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1b80 n PRO 197 N 0.21 0.07 -0.32 -0.78 -0.04 -1.25 -1.40 135.00 131.48 1b80 n PRO 197 Ca 0.28 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 1b80 n PRO 197 Cb 0.50 -1.65 0.29 0.00 -0.04 0.00 0.00 33.50 32.60 1b80 n PRO 197 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b80 n GLY 198 N -0.50 2.28 2.99 0.55 0.00 -1.26 -3.95 105.19 105.30 1b80 n GLY 198 Ca 0.02 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 1b80 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b80 s ILE 199 N -1.14 1.27 -0.73 -0.61 1.01 -0.49 -3.95 121.20 116.55 1b80 s ILE 199 Ca 0.46 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 60.37 1b80 s ILE 199 Cb 0.25 -1.20 0.04 0.00 0.01 0.00 0.00 42.46 41.56 1b80 s ILE 199 CO 0.33 0.40 1.22 0.12 0.00 0.00 0.00 174.94 177.01 1b80 s PHE 200 N 1.25 2.36 0.00 3.97 5.36 -0.08 -4.62 117.98 126.23 1b80 s PHE 200 Ca -0.02 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 1b80 s PHE 200 Cb -0.14 -4.57 -0.00 0.00 -0.34 0.00 0.00 43.02 37.97 1b80 s PHE 200 CO -0.04 -1.99 0.00 -0.40 -1.46 0.00 0.00 175.22 171.33 1b80 n ASP 201 N 9.04 -0.01 -1.52 6.13 5.68 -1.26 -4.39 116.55 130.22 1b80 n ASP 201 Ca 0.03 -1.02 0.07 0.00 -0.50 0.00 0.00 54.79 53.38 1b80 n ASP 201 Cb 0.48 0.02 0.33 0.00 -1.14 0.00 0.00 41.12 40.81 1b80 n ASP 201 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1b80 n SER 202 N -2.53 4.49 0.24 -1.12 7.64 -1.26 -4.48 113.62 116.60 1b80 n SER 202 Ca 0.00 -2.52 0.07 0.00 1.01 0.00 0.00 58.87 57.44 1b80 n SER 202 Cb 0.00 -0.58 0.58 0.00 -1.01 0.00 0.00 64.21 63.20 1b80 n SER 202 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1b80 h GLN 203 N 3.54 0.00 -0.78 1.43 1.08 -1.93 -0.85 115.11 117.60 1b80 h GLN 203 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1b80 h GLN 203 Cb 1.45 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.84 1b80 h GLN 203 CO 0.28 0.15 0.50 0.35 -0.95 0.00 0.00 178.83 179.16 1b80 h PHE 204 N 0.00 0.94 -0.00 2.96 3.57 -1.88 0.18 116.94 122.72 1b80 h PHE 204 Ca -0.00 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 1b80 h PHE 204 Cb 0.28 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1b80 h PHE 204 CO 0.00 0.56 -0.73 0.74 -2.23 0.00 0.00 178.31 176.65 1b80 h PHE 205 N 0.99 0.03 -0.00 0.41 0.04 -1.51 -2.37 116.94 114.53 1b80 h PHE 205 Ca 0.30 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.06 1b80 h PHE 205 Cb -0.03 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.11 1b80 h PHE 205 CO -0.03 0.75 -0.00 0.28 -0.60 0.00 0.00 178.31 178.71 1b80 h VAL 206 N 0.01 1.49 0.00 -0.55 2.07 -0.69 -3.31 116.25 115.27 1b80 h VAL 206 Ca -0.01 -1.43 -0.11 0.00 0.82 0.00 0.00 66.70 65.97 1b80 h VAL 206 Cb 1.29 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 1b80 h VAL 206 CO 0.10 0.37 -0.51 -0.33 0.02 0.00 0.00 177.57 177.22 1b80 h GLU 207 N -0.60 0.00 0.00 1.57 5.08 -0.67 -2.20 114.58 117.75 1b80 h GLU 207 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b80 h GLU 207 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1b80 h GLU 207 CO 0.00 0.51 0.00 1.79 -1.00 0.00 0.00 179.01 180.31 1b80 h THR 208 N 0.00 0.00 -0.00 1.13 1.35 -1.58 -2.75 112.91 111.06 1b80 h THR 208 Ca -0.01 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1b80 h THR 208 Cb 1.03 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1b80 h THR 208 CO 0.07 0.00 -0.35 1.67 -0.25 0.00 0.00 175.52 176.66 1b80 n GLN 209 N -2.82 0.14 -1.90 4.72 -0.06 -0.83 -4.88 117.38 111.76 1b80 n GLN 209 Ca 0.02 -0.07 -0.32 0.00 -2.00 0.00 0.00 57.00 54.63 1b80 n GLN 209 Cb 0.32 -1.50 0.02 0.00 -4.06 0.00 0.00 30.24 25.03 1b80 n GLN 209 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1b80 s LEU 210 N -2.90 3.38 0.22 1.69 1.43 -1.04 -0.80 118.68 120.65 1b80 s LEU 210 Ca 0.14 1.73 -0.31 0.00 -1.03 0.00 0.00 54.13 54.67 1b80 s LEU 210 Cb 0.18 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 1b80 s LEU 210 CO 0.63 -1.23 1.52 -0.13 0.23 0.00 0.00 176.35 177.37 1b80 s ARG 211 N -4.41 4.22 0.05 1.70 0.52 -0.22 -4.77 118.95 116.04 1b80 s ARG 211 Ca 0.61 2.37 -0.30 0.00 -0.52 0.00 0.00 55.73 57.89 1b80 s ARG 211 Cb -0.15 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 1b80 s ARG 211 CO 0.43 -0.54 1.10 0.20 0.02 0.00 0.00 175.30 176.52 1b80 s GLY 212 N 0.73 2.64 -0.01 -3.53 0.00 -1.26 -4.27 107.32 101.63 1b80 s GLY 212 Ca 0.65 0.73 0.07 0.00 0.00 0.00 0.00 44.72 46.16 1b80 s GLY 212 CO 0.38 1.86 0.16 -1.30 0.00 0.00 0.00 173.10 174.20 1b80 n THR 213 N 3.75 0.00 -3.68 0.90 -2.24 0.14 -4.81 114.28 108.34 1b80 n THR 213 Ca 0.07 -0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1b80 n THR 213 Cb 0.48 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 1b80 n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b80 s ALA 214 N -2.43 -1.80 0.09 6.98 0.00 -0.96 -4.96 121.76 118.69 1b80 s ALA 214 Ca -0.02 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 1b80 s ALA 214 Cb 0.04 0.53 -0.07 0.00 0.00 0.00 0.00 23.12 23.62 1b80 s ALA 214 CO 0.28 -0.96 0.52 -0.06 0.00 0.00 0.00 175.76 175.54 1b80 s PHE 215 N -3.08 3.70 -0.21 0.00 0.08 -1.26 -0.41 117.98 116.81 1b80 s PHE 215 Ca 0.11 1.12 0.27 0.00 0.12 0.00 0.00 56.93 58.55 1b80 s PHE 215 Cb -0.00 -2.39 0.75 0.00 -0.57 0.00 0.00 43.02 40.80 1b80 s PHE 215 CO -0.01 0.53 1.76 -1.00 -0.10 0.00 0.00 175.22 176.40 1b80 h PRO 216 N 4.15 0.00 0.00 0.24 0.13 -1.88 -3.46 132.00 131.17 1b80 h PRO 216 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1b80 h PRO 216 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1b80 h PRO 216 CO 0.64 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 1b80 n GLY 217 N 0.66 2.92 3.96 1.56 0.00 -1.26 -4.64 105.19 108.40 1b80 n GLY 217 Ca 0.03 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1b80 n GLY 217 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b80 s SER 218 N 1.00 5.59 0.43 1.61 1.04 -1.26 -5.13 113.70 116.98 1b80 s SER 218 Ca 0.00 0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.63 1b80 s SER 218 Cb 0.00 -1.22 -0.05 0.00 0.10 0.00 0.00 66.02 64.85 1b80 s SER 218 CO 0.00 -0.89 0.18 -0.83 0.98 0.00 0.00 173.24 172.68 1b80 s GLY 219 N -4.31 2.38 0.00 7.32 0.00 -1.26 -4.73 107.32 106.72 1b80 s GLY 219 Ca 0.52 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1b80 s GLY 219 CO 0.38 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 172.15 1b80 n GLY 220 N -1.26 0.44 3.72 0.20 0.00 -1.26 -5.03 105.19 102.00 1b80 n GLY 220 Ca -0.02 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 1b80 n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b80 s ASN 221 N -2.91 6.52 0.24 1.61 0.01 -1.26 -5.03 114.94 114.11 1b80 s ASN 221 Ca 0.00 0.61 -0.31 0.00 -0.71 0.00 0.00 52.86 52.44 1b80 s ASN 221 Cb 0.00 -2.22 -0.12 0.00 0.41 0.00 0.00 41.25 39.32 1b80 s ASN 221 CO 0.00 0.06 1.61 1.67 -1.51 0.00 0.00 177.10 178.93 1b80 n GLN 222 N 3.65 2.57 -0.39 -0.60 7.27 -1.26 -1.97 117.38 126.65 1b80 n GLN 222 Ca -0.10 0.92 0.00 0.00 0.07 0.00 0.00 57.00 57.89 1b80 n GLN 222 Cb 0.52 -2.71 0.00 0.00 2.41 0.00 0.00 30.24 30.46 1b80 n GLN 222 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b80 n GLY 223 N 2.96 1.16 3.68 1.69 0.00 -1.26 -4.91 105.19 108.52 1b80 n GLY 223 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1b80 n GLY 223 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b80 s GLU 224 N -0.40 2.72 0.26 1.61 2.12 -0.83 -0.80 118.70 123.38 1b80 s GLU 224 Ca 0.00 -0.67 0.03 0.00 0.36 0.00 0.00 54.97 54.69 1b80 s GLU 224 Cb 0.00 -2.63 -0.06 0.00 0.26 0.00 0.00 34.13 31.70 1b80 s GLU 224 CO 0.00 0.60 0.03 0.14 -0.54 0.00 0.00 175.26 175.50 1b80 s VAL 225 N -1.14 0.98 0.60 3.70 -7.23 -0.65 -4.75 120.40 111.91 1b80 s VAL 225 Ca 0.21 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 58.17 1b80 s VAL 225 Cb -0.12 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1b80 s VAL 225 CO 0.12 -0.17 1.31 -1.61 -0.31 0.00 0.00 175.10 174.44 1b80 s GLU 226 N -3.90 2.83 0.42 4.82 2.02 -1.26 -4.23 118.70 119.40 1b80 s GLU 226 Ca 0.33 2.10 0.07 0.00 0.02 0.00 0.00 54.97 57.49 1b80 s GLU 226 Cb 0.07 -2.02 -0.03 0.00 0.10 0.00 0.00 34.13 32.25 1b80 s GLU 226 CO 0.12 -1.39 0.28 -1.54 0.02 0.00 0.00 175.26 172.74 1b80 s SER 227 N -1.24 4.71 0.04 -0.19 1.04 0.45 -4.46 113.70 114.05 1b80 s SER 227 Ca 0.78 -0.95 0.23 0.00 0.48 0.00 0.00 55.95 56.50 1b80 s SER 227 Cb -0.38 -0.46 0.18 0.00 0.10 0.00 0.00 66.02 65.46 1b80 s SER 227 CO 0.42 -0.63 1.15 -0.81 0.98 0.00 0.00 173.24 174.36 1b80 n PRO 228 N -1.41 0.18 -4.15 4.02 -0.04 -1.26 0.28 135.00 132.62 1b80 n PRO 228 Ca 0.01 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.32 1b80 n PRO 228 Cb 0.63 -1.57 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 1b80 n PRO 228 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b80 s LEU 229 N -3.62 2.15 0.29 1.53 1.43 -1.26 -4.77 118.68 114.43 1b80 s LEU 229 Ca 0.06 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 1b80 s LEU 229 Cb 0.15 -0.28 -0.11 0.00 0.03 0.00 0.00 46.19 45.98 1b80 s LEU 229 CO 0.77 -0.06 1.56 -2.16 0.23 0.00 0.00 176.35 176.69 1b80 s PRO 230 N -0.96 4.15 0.00 1.29 0.05 -1.26 -2.00 135.00 136.26 1b80 s PRO 230 Ca -0.03 2.53 0.00 0.00 0.05 0.00 0.00 61.00 63.54 1b80 s PRO 230 Cb -0.07 -3.03 0.00 0.00 0.05 0.00 0.00 34.50 31.45 1b80 s PRO 230 CO 0.00 -0.58 0.00 0.41 0.05 0.00 0.00 177.00 176.88 1b80 n GLY 231 N 2.03 3.01 3.85 0.56 0.00 -1.26 -1.69 105.19 111.68 1b80 n GLY 231 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1b80 n GLY 231 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b80 s GLU 232 N -0.52 3.76 0.14 1.61 2.12 -0.85 -3.89 118.70 121.08 1b80 s GLU 232 Ca 0.00 0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.62 1b80 s GLU 232 Cb 0.00 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1b80 s GLU 232 CO 0.00 0.72 0.09 -1.50 -0.54 0.00 0.00 175.26 174.03 1b80 s ILE 233 N -1.07 4.32 -0.04 -3.70 2.07 -0.71 -4.46 121.20 117.61 1b80 s ILE 233 Ca 0.21 -1.07 0.02 0.00 -1.41 0.00 0.00 60.65 58.39 1b80 s ILE 233 Cb -0.15 -3.17 0.01 0.00 0.13 0.00 0.00 42.46 39.29 1b80 s ILE 233 CO 0.11 -0.05 -0.06 -0.60 -1.91 0.00 0.00 174.94 172.43 1b80 s ARG 234 N -2.88 0.89 0.23 3.50 3.52 -1.26 -4.52 118.95 118.43 1b80 s ARG 234 Ca 0.30 -0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.76 1b80 s ARG 234 Cb -0.10 -0.85 -0.03 0.00 -1.56 0.00 0.00 34.95 32.41 1b80 s ARG 234 CO 0.22 0.01 0.24 0.96 -0.81 0.00 0.00 175.30 175.92 1b80 s ILE 235 N 0.56 4.76 0.23 4.11 -4.36 -1.26 -1.64 121.20 123.60 1b80 s ILE 235 Ca -0.08 -1.17 -0.06 0.00 -0.26 0.00 0.00 60.65 59.07 1b80 s ILE 235 Cb -0.12 -3.55 0.14 0.00 1.25 0.00 0.00 42.46 40.19 1b80 s ILE 235 CO 0.01 -0.29 1.77 -0.61 0.24 0.00 0.00 174.94 176.06 1b80 h GLN 236 N 1.59 1.08 -0.44 0.37 4.15 -1.07 -1.79 115.11 119.02 1b80 h GLN 236 Ca -0.49 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 58.64 1b80 h GLN 236 Cb 1.23 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 1b80 h GLN 236 CO 0.62 0.92 0.05 0.66 -1.93 0.00 0.00 178.83 179.15 1b80 h SER 237 N 1.04 0.71 -0.62 -0.69 4.64 -1.55 0.41 113.55 117.50 1b80 h SER 237 Ca 0.23 -0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 1b80 h SER 237 Cb 0.29 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1b80 h SER 237 CO -0.01 0.81 0.13 0.44 -0.87 0.00 0.00 176.83 177.34 1b80 h ASP 238 N 0.59 0.95 -0.52 4.97 3.32 -1.84 -0.65 116.42 123.24 1b80 h ASP 238 Ca 0.13 -0.24 0.08 0.00 0.02 0.00 0.00 57.03 57.02 1b80 h ASP 238 Cb 0.41 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 1b80 h ASP 238 CO 0.01 0.95 0.13 -0.74 -1.72 0.00 0.00 179.24 177.87 1b80 h HIS 239 N 0.91 0.22 0.08 4.55 2.76 -1.01 -2.04 115.15 120.63 1b80 h HIS 239 Ca 0.19 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 58.12 1b80 h HIS 239 Cb 0.38 -0.02 0.02 0.00 1.55 0.00 0.00 27.41 29.33 1b80 h HIS 239 CO 0.03 0.03 -1.15 1.79 -1.30 0.00 0.00 177.93 177.32 1b80 h THR 240 N 0.28 1.37 -0.43 6.26 1.35 -0.54 -3.11 112.91 118.09 1b80 h THR 240 Ca 0.26 -2.60 -0.04 0.00 -0.55 0.00 0.00 66.41 63.48 1b80 h THR 240 Cb 0.33 2.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.39 1b80 h THR 240 CO -0.31 0.78 0.11 0.40 -0.25 0.00 0.00 175.52 176.25 1b80 h ILE 241 N 0.21 1.19 0.00 6.82 2.04 -1.05 -0.71 117.51 126.01 1b80 h ILE 241 Ca -0.14 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1b80 h ILE 241 Cb 1.82 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1b80 h ILE 241 CO 0.21 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.60 1b80 h ALA 242 N 1.51 1.00 -0.01 1.87 0.00 -1.30 -3.17 119.26 119.16 1b80 h ALA 242 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1b80 h ALA 242 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1b80 h ALA 242 CO -0.01 0.00 -0.19 0.54 0.00 0.00 0.00 179.25 179.60 1b80 n ARG 243 N -3.06 2.36 -2.53 0.00 1.74 -0.63 -4.48 116.66 110.06 1b80 n ARG 243 Ca -0.00 -0.50 -0.39 0.00 -0.77 0.00 0.00 57.85 56.19 1b80 n ARG 243 Cb 0.26 -1.02 -0.04 0.00 -1.02 0.00 0.00 32.46 30.64 1b80 n ARG 243 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1b80 s ASP 244 N -1.24 7.13 0.61 0.55 -1.08 -0.37 -4.84 116.67 117.43 1b80 s ASP 244 Ca 0.07 2.15 0.38 0.00 -0.52 0.00 0.00 52.55 54.62 1b80 s ASP 244 Cb 0.07 -2.61 1.93 0.00 -1.46 0.00 0.00 42.92 40.85 1b80 s ASP 244 CO 0.22 -0.23 2.21 0.77 0.52 0.00 0.00 175.17 178.65 1b80 h SER 245 N 3.38 0.00 0.61 -0.34 4.64 -1.91 0.79 113.55 120.72 1b80 h SER 245 Ca -0.47 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.64 1b80 h SER 245 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1b80 h SER 245 CO 0.65 0.02 -0.95 0.03 -0.87 0.00 0.00 176.83 175.71 1b80 h ARG 246 N 0.00 0.21 -0.00 4.77 3.08 -1.93 -3.39 114.38 117.11 1b80 h ARG 246 Ca -0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1b80 h ARG 246 Cb 0.20 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1b80 h ARG 246 CO 0.00 1.01 -0.05 0.25 -1.07 0.00 0.00 179.97 180.12 1b80 n THR 247 N -3.61 0.00 -0.30 2.04 -2.24 -0.86 -4.78 114.28 104.53 1b80 n THR 247 Ca -0.04 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.24 1b80 n THR 247 Cb 0.86 1.01 0.10 0.00 -2.10 0.00 0.00 70.33 70.19 1b80 n THR 247 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b80 h ALA 248 N 0.19 1.07 -0.14 6.98 0.00 -0.97 -0.79 119.26 125.60 1b80 h ALA 248 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1b80 h ALA 248 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1b80 h ALA 248 CO 0.00 0.35 -0.54 0.00 0.00 0.00 0.00 179.25 179.06 1b80 h GLU 250 N 0.31 0.72 -0.25 0.00 4.57 -1.74 -2.03 114.58 116.16 1b80 h GLU 250 Ca 0.01 -0.35 0.03 0.00 -1.18 0.00 0.00 59.36 57.87 1b80 h GLU 250 Cb 1.05 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 1b80 h GLU 250 CO 0.09 0.96 0.08 2.35 -1.18 0.00 0.00 179.01 181.31 1b80 h TRP 251 N 0.60 0.14 0.00 0.92 2.91 -1.02 -2.32 115.95 117.19 1b80 h TRP 251 Ca 0.06 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 1b80 h TRP 251 Cb 0.88 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.50 1b80 h TRP 251 CO 0.04 0.06 -0.11 0.37 -1.03 0.00 0.00 178.44 177.78 1b80 h GLN 252 N 0.19 0.00 0.00 2.65 4.15 -1.33 -3.07 115.11 117.71 1b80 h GLN 252 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1b80 h GLN 252 Cb 0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1b80 h GLN 252 CO -0.12 0.11 0.00 0.66 -1.93 0.00 0.00 178.83 177.54 1b80 h SER 253 N 0.00 0.00 1.29 -0.69 4.64 -0.77 -1.79 113.55 116.22 1b80 h SER 253 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b80 h SER 253 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1b80 h SER 253 CO 0.01 0.00 -0.25 -0.26 -0.87 0.00 0.00 176.83 175.47 1b80 h PHE 254 N 0.00 0.00 -2.68 4.77 0.04 -1.64 -3.42 116.94 114.01 1b80 h PHE 254 Ca 0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 1b80 h PHE 254 Cb 0.16 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 1b80 h PHE 254 CO 0.00 0.00 1.03 0.08 -0.60 0.00 0.00 178.31 178.82 1b80 s VAL 255 N -3.14 3.56 -1.63 -0.55 1.01 -0.68 -1.98 120.40 116.99 1b80 s VAL 255 Ca 0.09 0.78 -0.03 0.00 0.00 0.00 0.00 61.98 62.81 1b80 s VAL 255 Cb 0.12 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1b80 s VAL 255 CO 0.65 -0.05 0.46 -3.20 0.00 0.00 0.00 175.10 172.96 1b80 n ASN 256 N 6.62 -6.13 -3.28 3.32 5.15 -1.26 -4.93 115.26 114.75 1b80 n ASN 256 Ca 0.16 -0.22 -0.24 0.00 -0.60 0.00 0.00 54.58 53.68 1b80 n ASN 256 Cb 0.43 -4.99 -0.08 0.00 -0.53 0.00 0.00 39.78 34.61 1b80 n ASN 256 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1b80 n ASN 257 N -2.40 -0.68 -0.21 1.20 2.85 -0.84 -4.98 115.26 110.20 1b80 n ASN 257 Ca -0.15 -2.51 -0.07 0.00 -0.11 0.00 0.00 54.58 51.74 1b80 n ASN 257 Cb 0.64 -0.30 0.08 0.00 1.24 0.00 0.00 39.78 41.44 1b80 n ASN 257 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1b80 h GLN 258 N 5.19 1.04 -0.68 1.20 4.15 -1.92 -2.38 115.11 121.71 1b80 h GLN 258 Ca 0.20 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 1b80 h GLN 258 Cb 0.92 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.45 1b80 h GLN 258 CO 0.36 0.95 0.27 0.66 -1.93 0.00 0.00 178.83 179.14 1b80 h SER 259 N 0.98 0.93 -0.43 -0.69 4.64 -1.96 -0.42 113.55 116.61 1b80 h SER 259 Ca 0.20 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 1b80 h SER 259 Cb 0.41 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1b80 h SER 259 CO 0.01 0.85 -0.09 0.50 -0.87 0.00 0.00 176.83 177.23 1b80 h LYS 260 N 0.96 0.82 -0.12 4.77 3.64 -1.93 -0.96 116.57 123.75 1b80 h LYS 260 Ca 0.23 -0.31 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1b80 h LYS 260 Cb 0.21 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1b80 h LYS 260 CO -0.02 0.93 -0.18 1.25 -2.27 0.00 0.00 179.45 179.17 1b80 h LEU 261 N 0.65 -0.54 -0.23 5.20 5.85 -1.11 -1.12 115.31 124.00 1b80 h LEU 261 Ca 0.11 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1b80 h LEU 261 Cb 0.62 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1b80 h LEU 261 CO 0.04 -0.23 -0.22 0.58 -0.34 0.00 0.00 178.44 178.28 1b80 h VAL 262 N -0.22 1.32 -0.67 1.05 2.07 -1.04 -2.09 116.25 116.68 1b80 h VAL 262 Ca 0.10 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.16 1b80 h VAL 262 Cb 0.36 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1b80 h VAL 262 CO -0.26 0.43 0.10 0.44 0.02 0.00 0.00 177.57 178.30 1b80 h ASP 263 N 0.26 1.07 -0.30 0.57 3.32 -1.12 -1.13 116.42 119.08 1b80 h ASP 263 Ca 0.04 -0.27 -0.16 0.00 0.02 0.00 0.00 57.03 56.66 1b80 h ASP 263 Cb 0.77 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1b80 h ASP 263 CO 0.05 1.06 -0.44 0.44 -1.72 0.00 0.00 179.24 178.64 1b80 h ASP 264 N 1.03 0.93 0.21 6.45 3.32 -1.23 -2.77 116.42 124.36 1b80 h ASP 264 Ca 0.20 -0.45 -0.17 0.00 0.02 0.00 0.00 57.03 56.64 1b80 h ASP 264 Cb 0.46 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1b80 h ASP 264 CO 0.01 1.23 -0.64 0.15 -1.72 0.00 0.00 179.24 178.28 1b80 h PHE 265 N 0.69 0.53 -0.77 4.55 3.57 -1.25 -1.08 116.94 123.18 1b80 h PHE 265 Ca 0.04 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.37 1b80 h PHE 265 Cb 1.03 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 1b80 h PHE 265 CO 0.06 0.93 0.49 0.37 -2.23 0.00 0.00 178.31 177.93 1b80 h GLN 266 N 0.30 0.91 0.12 1.11 4.15 -1.19 0.41 115.11 120.92 1b80 h GLN 266 Ca -0.01 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1b80 h GLN 266 Cb 1.18 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1b80 h GLN 266 CO 0.11 0.60 -0.06 0.35 -1.93 0.00 0.00 178.83 177.90 1b80 h PHE 267 N 0.94 -0.15 -0.05 3.99 3.57 -1.19 -2.88 116.94 121.16 1b80 h PHE 267 Ca 0.32 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 1b80 h PHE 267 Cb 0.05 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1b80 h PHE 267 CO -0.04 0.11 -0.49 0.97 -2.23 0.00 0.00 178.31 176.63 1b80 h ILE 268 N -0.40 1.35 -0.29 1.41 6.09 -0.94 -1.99 117.51 122.75 1b80 h ILE 268 Ca -0.02 -1.72 -0.06 0.00 -1.37 0.00 0.00 64.86 61.70 1b80 h ILE 268 Cb 0.32 1.86 -0.01 0.00 0.47 0.00 0.00 36.82 39.47 1b80 h ILE 268 CO 0.03 0.50 -0.04 0.15 -3.07 0.00 0.00 178.15 175.71 1b80 h PHE 269 N 0.11 0.60 -0.67 2.19 3.57 -0.97 -1.50 116.94 120.27 1b80 h PHE 269 Ca 0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1b80 h PHE 269 Cb 0.92 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1b80 h PHE 269 CO 0.01 0.72 0.43 1.25 -2.23 0.00 0.00 178.31 178.48 1b80 h LEU 270 N 0.31 0.79 -0.79 0.59 5.85 -1.34 -1.92 115.31 118.80 1b80 h LEU 270 Ca 0.08 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1b80 h LEU 270 Cb 0.51 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1b80 h LEU 270 CO 0.02 0.60 0.50 0.00 -0.34 0.00 0.00 178.44 179.22 1b80 h ALA 271 N 1.23 1.03 -0.80 1.25 0.00 -1.15 -2.51 119.26 118.32 1b80 h ALA 271 Ca 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1b80 h ALA 271 Cb -0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1b80 h ALA 271 CO -0.05 0.31 0.35 -0.07 0.00 0.00 0.00 179.25 179.79 1b80 h LEU 272 N 0.98 1.08 -0.21 0.00 3.38 -0.68 -2.20 115.31 117.66 1b80 h LEU 272 Ca 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1b80 h LEU 272 Cb 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1b80 h LEU 272 CO -0.11 0.93 0.00 0.35 0.09 0.00 0.00 178.44 179.70 1b80 n THR 273 N -4.29 1.02 0.49 0.22 -2.24 -0.78 -2.25 114.28 106.46 1b80 n THR 273 Ca 0.08 0.27 0.09 0.00 -2.27 0.00 0.00 64.05 62.22 1b80 n THR 273 Cb 0.17 -1.09 0.13 0.00 -2.10 0.00 0.00 70.33 67.43 1b80 n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b80 n GLN 274 N -1.70 1.91 -1.95 -0.78 6.02 -0.84 -4.78 117.38 115.26 1b80 n GLN 274 Ca 0.03 -1.83 -0.41 0.00 -0.01 0.00 0.00 57.00 54.77 1b80 n GLN 274 Cb 0.17 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.03 1b80 n GLN 274 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1b80 s LEU 275 N -1.41 4.37 0.00 1.08 1.43 -0.95 -1.37 118.68 121.84 1b80 s LEU 275 Ca 0.26 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 56.10 1b80 s LEU 275 Cb 0.17 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1b80 s LEU 275 CO 0.24 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.67 1b80 n GLY 276 N 2.22 1.09 3.57 -3.19 0.00 -1.26 -0.33 105.19 107.29 1b80 n GLY 276 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1b80 n GLY 276 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b80 s GLN 277 N -0.29 1.89 -0.35 1.61 -1.52 -0.47 -4.93 119.66 115.59 1b80 s GLN 277 Ca 0.00 -1.89 -0.12 0.00 -1.95 0.00 0.00 55.36 51.40 1b80 s GLN 277 Cb 0.00 -1.76 0.00 0.00 -0.22 0.00 0.00 33.01 31.03 1b80 s GLN 277 CO 0.00 0.14 0.23 0.34 -0.25 0.00 0.00 175.29 175.74 1b80 s ASP 278 N -3.64 5.89 0.45 5.90 2.15 -1.26 -4.97 116.67 121.19 1b80 s ASP 278 Ca 0.33 -0.65 0.12 0.00 0.43 0.00 0.00 52.55 52.78 1b80 s ASP 278 Cb 0.02 -2.09 1.03 0.00 -0.30 0.00 0.00 42.92 41.58 1b80 s ASP 278 CO 0.17 -0.30 2.05 -0.65 -0.17 0.00 0.00 175.17 176.28 1b80 h PRO 279 N 8.48 0.35 0.00 4.34 0.11 -1.97 -0.69 132.00 142.62 1b80 h PRO 279 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1b80 h PRO 279 Cb 1.14 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1b80 h PRO 279 CO 0.66 0.23 0.00 -0.91 -0.21 0.00 0.00 178.00 177.77 1b80 h ASN 280 N 0.36 0.00 -0.10 -2.05 2.35 -2.03 -2.40 115.58 111.72 1b80 h ASN 280 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1b80 h ASN 280 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1b80 h ASN 280 CO -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.74 1b80 n ALA 281 N -1.86 2.48 -2.65 -0.83 0.00 -0.27 -4.96 120.51 112.42 1b80 n ALA 281 Ca 0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 53.44 52.58 1b80 n ALA 281 Cb 0.24 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 1b80 n ALA 281 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1b80 s MET 282 N -1.90 3.27 -0.13 0.00 -1.94 -0.90 -4.91 119.30 112.78 1b80 s MET 282 Ca 0.32 -0.79 -0.05 0.00 -1.71 0.00 0.00 55.69 53.46 1b80 s MET 282 Cb 0.21 -2.80 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 1b80 s MET 282 CO 0.31 0.17 0.04 0.99 -0.01 0.00 0.00 175.02 176.52 1b80 s THR 283 N -2.16 4.64 -0.33 2.05 2.01 -0.59 -4.91 115.64 116.34 1b80 s THR 283 Ca 0.41 -0.11 -0.22 0.00 0.31 0.00 0.00 61.69 62.08 1b80 s THR 283 Cb -0.09 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1b80 s THR 283 CO 0.32 0.55 0.72 -0.62 -0.69 0.00 0.00 174.62 174.89 1b80 s ASP 284 N -0.38 6.54 -0.25 3.53 -1.08 -1.26 -0.89 116.67 122.88 1b80 s ASP 284 Ca 0.09 0.41 0.09 0.00 -0.52 0.00 0.00 52.55 52.61 1b80 s ASP 284 Cb -0.12 -2.37 0.44 0.00 -1.46 0.00 0.00 42.92 39.41 1b80 s ASP 284 CO 0.02 -0.61 1.20 0.00 0.52 0.00 0.00 175.17 176.30 1b80 h SER 286 N 1.65 0.00 0.52 0.00 0.02 -1.77 -2.13 113.55 111.83 1b80 h SER 286 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1b80 h SER 286 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1b80 h SER 286 CO 0.41 0.02 0.00 0.47 -1.14 0.00 0.00 176.83 176.59 1b80 n ASP 287 N -3.15 0.22 0.17 3.07 8.00 -1.26 -1.85 116.55 121.75 1b80 n ASP 287 Ca -0.01 0.56 0.06 0.00 0.71 0.00 0.00 54.79 56.11 1b80 n ASP 287 Cb 0.23 -0.60 0.14 0.00 -0.02 0.00 0.00 41.12 40.87 1b80 n ASP 287 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1b80 h VAL 288 N 0.00 0.59 -3.59 2.53 2.07 -1.73 -3.46 116.25 112.67 1b80 h VAL 288 Ca 0.00 -1.72 -0.51 0.00 0.82 0.00 0.00 66.70 65.29 1b80 h VAL 288 Cb 0.26 2.20 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1b80 h VAL 288 CO 0.00 0.32 0.50 -0.63 0.02 0.00 0.00 177.57 177.78 1b80 s ILE 289 N -3.15 3.72 0.69 4.57 -1.09 -0.77 -4.97 121.20 120.20 1b80 s ILE 289 Ca 0.04 1.52 -0.16 0.00 -2.23 0.00 0.00 60.65 59.81 1b80 s ILE 289 Cb 0.07 -3.97 0.02 0.00 -1.58 0.00 0.00 42.46 37.00 1b80 s ILE 289 CO 0.71 0.28 1.23 -2.84 -1.23 0.00 0.00 174.94 173.08 1b80 s PRO 290 N -0.55 2.35 0.17 2.79 0.02 -1.26 -4.92 135.00 133.59 1b80 s PRO 290 Ca 0.49 1.85 -0.31 0.00 0.02 0.00 0.00 61.00 63.06 1b80 s PRO 290 Cb -0.31 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.27 1b80 s PRO 290 CO 0.37 -1.70 1.44 -1.14 -0.33 0.00 0.00 177.00 175.64 1b80 s GLN 291 N -3.69 4.28 0.65 5.54 0.74 -1.26 -4.78 119.66 121.14 1b80 s GLN 291 Ca 0.77 2.21 -0.15 0.00 0.05 0.00 0.00 55.36 58.25 1b80 s GLN 291 Cb -0.32 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 1b80 s GLN 291 CO 0.42 -0.46 1.10 -1.12 -0.55 0.00 0.00 175.29 174.68 1b80 s SER 292 N 0.83 5.24 0.05 6.67 0.01 -1.26 -4.98 113.70 120.26 1b80 s SER 292 Ca 0.64 1.95 0.01 0.00 1.31 0.00 0.00 55.95 59.85 1b80 s SER 292 Cb -0.40 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.24 1b80 s SER 292 CO 0.35 -1.54 0.15 -0.54 0.41 0.00 0.00 173.24 172.07 1b80 s LYS 293 N -4.14 3.20 0.74 12.44 1.02 -1.26 -5.00 119.74 126.74 1b80 s LYS 293 Ca 0.66 -0.52 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 1b80 s LYS 293 Cb -0.19 -2.92 0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1b80 s LYS 293 CO 0.41 0.61 1.08 -1.25 -0.92 0.00 0.00 175.35 175.28 1b80 s PRO 294 N -2.31 2.57 -0.02 -1.68 0.04 -1.26 -0.84 135.00 131.49 1b80 s PRO 294 Ca 0.31 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 1b80 s PRO 294 Cb -0.13 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1b80 s PRO 294 CO 0.23 -1.30 1.17 0.42 0.04 0.00 0.00 177.00 177.56 1b80 s ILE 295 N -3.16 4.29 0.63 0.56 1.01 -1.26 -4.40 121.20 118.87 1b80 s ILE 295 Ca 0.59 1.62 -0.10 0.00 0.00 0.00 0.00 60.65 62.76 1b80 s ILE 295 Cb -0.13 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 1b80 s ILE 295 CO 0.54 0.04 1.01 -2.16 0.00 0.00 0.00 174.94 174.37 1b80 s PRO 296 N 1.81 3.23 0.10 2.79 0.04 -1.26 -4.94 135.00 136.77 1b80 s PRO 296 Ca 0.56 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1b80 s PRO 296 Cb -0.25 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1b80 s PRO 296 CO 0.24 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1b80 n GLY 297 N -2.77 -2.82 1.06 0.56 0.00 -1.26 -4.75 105.19 95.21 1b80 n GLY 297 Ca 0.06 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 44.14 1b80 n GLY 297 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b80 n ASN 298 N 0.01 1.14 -4.86 1.61 6.94 -1.26 -5.06 115.26 113.79 1b80 n ASN 298 Ca 0.00 -2.57 -0.31 0.00 -0.02 0.00 0.00 54.58 51.68 1b80 n ASN 298 Cb 0.00 -0.36 -0.02 0.00 -2.36 0.00 0.00 39.78 37.05 1b80 n ASN 298 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b80 s LEU 299 N -1.02 3.49 0.72 -4.53 1.43 -1.26 -5.03 118.68 112.47 1b80 s LEU 299 Ca 0.31 1.47 -0.15 0.00 -1.03 0.00 0.00 54.13 54.73 1b80 s LEU 299 Cb 0.33 -4.45 0.03 0.00 0.03 0.00 0.00 46.19 42.13 1b80 s LEU 299 CO -0.11 -0.68 1.21 -2.84 0.23 0.00 0.00 176.35 174.16 1b80 s PRO 300 N -4.48 2.22 0.13 1.29 0.02 -1.26 -4.94 135.00 127.98 1b80 s PRO 300 Ca 0.57 1.77 -0.19 0.00 0.02 0.00 0.00 61.00 63.17 1b80 s PRO 300 Cb -0.10 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 1b80 s PRO 300 CO 0.40 -1.78 1.74 0.35 -0.33 0.00 0.00 177.00 177.38 1b80 h PHE 301 N -0.18 0.08 -4.07 6.54 3.57 -1.99 -3.42 116.94 117.47 1b80 h PHE 301 Ca -0.48 0.01 -0.68 0.00 3.53 0.00 0.00 57.97 60.36 1b80 h PHE 301 Cb 1.30 -0.00 -0.24 0.00 2.79 0.00 0.00 35.95 39.80 1b80 h PHE 301 CO 0.47 0.03 -0.87 -1.12 -2.23 0.00 0.00 178.31 174.59 1b80 s SER 302 N -5.28 3.15 0.20 0.41 0.01 -1.26 -4.69 113.70 106.24 1b80 s SER 302 Ca -0.13 -0.67 -0.20 0.00 1.31 0.00 0.00 55.95 56.25 1b80 s SER 302 Cb 0.10 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 66.13 1b80 s SER 302 CO 0.69 0.20 0.59 0.72 0.41 0.00 0.00 173.24 175.85 1b80 s PHE 303 N -0.96 -0.31 0.07 2.43 -0.12 -1.26 -4.67 117.98 113.16 1b80 s PHE 303 Ca 0.12 0.00 -0.22 0.00 -0.05 0.00 0.00 56.93 56.79 1b80 s PHE 303 Cb -0.10 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 42.75 1b80 s PHE 303 CO 0.04 -0.95 0.65 -0.06 -0.05 0.00 0.00 175.22 174.85 1b80 s PHE 304 N -3.83 3.80 0.70 3.49 0.08 -0.04 -4.97 117.98 117.21 1b80 s PHE 304 Ca 0.06 1.37 -0.16 0.00 0.12 0.00 0.00 56.93 58.32 1b80 s PHE 304 Cb -0.02 -2.63 0.02 0.00 -0.57 0.00 0.00 43.02 39.83 1b80 s PHE 304 CO -0.05 0.48 1.21 -2.14 -0.10 0.00 0.00 175.22 174.61 1b80 s PRO 305 N -0.78 2.31 0.34 0.24 0.02 -1.26 -1.76 135.00 134.10 1b80 s PRO 305 Ca 0.32 1.77 -0.27 0.00 0.02 0.00 0.00 61.00 62.84 1b80 s PRO 305 Cb -0.20 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.34 1b80 s PRO 305 CO 0.21 -1.71 1.05 0.00 -0.33 0.00 0.00 177.00 176.22 1b80 n ALA 306 N -2.51 0.15 -0.31 -1.55 0.00 -1.26 -1.97 120.51 113.07 1b80 n ALA 306 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1b80 n ALA 306 Cb 0.50 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1b80 n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b80 n GLY 307 N 1.14 1.06 3.27 0.00 0.00 -1.26 -4.24 105.19 105.17 1b80 n GLY 307 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1b80 n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b80 s LYS 308 N -0.49 1.48 0.12 1.61 -0.14 -0.83 -4.99 119.74 116.49 1b80 s LYS 308 Ca 0.00 -0.99 0.02 0.00 -1.36 0.00 0.00 55.97 53.64 1b80 s LYS 308 Cb 0.00 -1.62 -0.01 0.00 -1.68 0.00 0.00 37.83 34.53 1b80 s LYS 308 CO 0.00 0.41 0.07 0.25 -0.76 0.00 0.00 175.35 175.32 1b80 n THR 309 N 1.81 0.00 0.25 2.17 -2.24 -1.26 -4.71 114.28 110.30 1b80 n THR 309 Ca -0.17 -0.78 0.14 0.00 -2.27 0.00 0.00 64.05 60.97 1b80 n THR 309 Cb 0.53 0.34 0.82 0.00 -2.10 0.00 0.00 70.33 69.92 1b80 n THR 309 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1b80 h ILE 310 N 1.29 0.63 0.00 2.28 6.09 -1.96 -0.92 117.51 124.93 1b80 h ILE 310 Ca -0.09 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1b80 h ILE 310 Cb 0.39 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.62 1b80 h ILE 310 CO 0.13 0.00 0.00 0.11 -3.07 0.00 0.00 178.15 175.32 1b80 h LYS 311 N 0.00 0.00 -0.00 2.19 1.57 -2.03 -1.88 116.57 116.42 1b80 h LYS 311 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1b80 h LYS 311 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1b80 h LYS 311 CO -0.00 0.00 -0.34 -0.25 -0.57 0.00 0.00 179.45 178.29 1b80 n ASP 312 N -2.90 0.77 -4.74 0.86 8.00 -0.35 -4.90 116.55 113.29 1b80 n ASP 312 Ca -0.00 -0.60 -0.41 0.00 0.71 0.00 0.00 54.79 54.49 1b80 n ASP 312 Cb 0.21 0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 1b80 n ASP 312 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b80 s VAL 313 N -2.70 4.35 -0.73 2.53 1.01 -0.71 -1.05 120.40 123.09 1b80 s VAL 313 Ca 0.19 2.05 -0.16 0.00 0.00 0.00 0.00 61.98 64.06 1b80 s VAL 313 Cb 0.19 -4.31 0.16 0.00 0.00 0.00 0.00 36.38 32.42 1b80 s VAL 313 CO 0.59 0.39 0.75 -1.61 0.00 0.00 0.00 175.10 175.22 1b80 s GLU 314 N -0.48 3.36 0.07 2.72 2.02 0.02 -4.88 118.70 121.52 1b80 s GLU 314 Ca 0.44 -1.97 -0.30 0.00 0.02 0.00 0.00 54.97 53.16 1b80 s GLU 314 Cb -0.24 -4.44 -0.09 0.00 0.10 0.00 0.00 34.13 29.46 1b80 s GLU 314 CO 0.30 -1.42 1.87 -1.14 0.02 0.00 0.00 175.26 174.90 1b80 s GLN 315 N 1.34 4.15 0.00 1.61 2.00 -1.26 -4.87 119.66 122.63 1b80 s GLN 315 Ca 0.15 2.56 0.00 0.00 -2.00 0.00 0.00 55.36 56.08 1b80 s GLN 315 Cb -0.17 -3.89 0.00 0.00 0.80 0.00 0.00 33.01 29.76 1b80 s GLN 315 CO -0.03 -0.89 0.00 0.00 -0.50 0.00 0.00 175.29 173.87 1b80 n ALA 316 N 6.65 1.78 -2.64 1.58 0.00 -1.26 -5.00 120.51 121.62 1b80 n ALA 316 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 1b80 n ALA 316 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1b80 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b80 n ALA 318 N 5.62 2.61 0.01 0.00 0.00 -1.26 -4.23 120.51 123.25 1b80 n ALA 318 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1b80 n ALA 318 Cb 0.49 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 1b80 n ALA 318 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1b80 n GLU 319 N -0.26 6.06 -3.69 0.00 0.28 -1.26 -4.99 120.64 116.78 1b80 n GLU 319 Ca 0.20 -0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 57.02 1b80 n GLU 319 Cb 0.25 -0.57 -0.16 0.00 1.43 0.00 0.00 31.44 32.38 1b80 n GLU 319 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1b80 s THR 320 N -1.15 -0.15 0.61 3.84 2.01 -1.26 -5.15 115.64 114.39 1b80 s THR 320 Ca 0.00 0.35 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 1b80 s THR 320 Cb 0.00 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 1b80 s THR 320 CO 0.01 0.15 1.11 -2.16 -0.69 0.00 0.00 174.62 173.04 1b80 s PRO 321 N 1.96 3.07 0.18 4.92 0.04 -1.26 -4.70 135.00 139.22 1b80 s PRO 321 Ca 0.01 1.47 -0.32 0.00 0.04 0.00 0.00 61.00 62.20 1b80 s PRO 321 Cb -0.12 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1b80 s PRO 321 CO -0.04 -1.05 1.63 0.12 0.04 0.00 0.00 177.00 177.70 1b80 s PHE 322 N -2.11 2.98 0.46 0.56 2.19 -1.26 -4.91 117.98 115.89 1b80 s PHE 322 Ca 0.69 0.50 -0.22 0.00 0.33 0.00 0.00 56.93 58.23 1b80 s PHE 322 Cb -0.22 -4.01 -0.10 0.00 -1.31 0.00 0.00 43.02 37.38 1b80 s PHE 322 CO 0.35 -3.79 0.84 -2.30 1.83 0.00 0.00 175.22 172.14 1b80 n PRO 323 N 4.03 1.00 -2.75 10.12 -0.02 -1.26 -4.91 135.00 141.21 1b80 n PRO 323 Ca 0.15 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 1b80 n PRO 323 Cb 0.37 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 1b80 n PRO 323 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1b80 s THR 324 N -1.41 4.54 0.29 3.45 -4.23 -1.26 -5.02 115.64 112.01 1b80 s THR 324 Ca 0.66 1.34 0.07 0.00 -1.18 0.00 0.00 61.69 62.58 1b80 s THR 324 Cb -0.53 -4.37 -0.03 0.00 1.34 0.00 0.00 72.50 68.91 1b80 s THR 324 CO 0.55 -0.55 0.27 -0.76 -0.54 0.00 0.00 174.62 173.60 1b80 s LEU 325 N 3.58 3.78 0.54 4.79 1.43 -1.26 -5.12 118.68 126.42 1b80 s LEU 325 Ca 0.41 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 1b80 s LEU 325 Cb -0.12 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1b80 s LEU 325 CO 0.19 -0.20 0.95 0.28 0.23 0.00 0.00 176.35 177.79 1b80 s THR 326 N -2.20 4.70 -0.15 5.49 -1.32 -1.26 -4.79 115.64 116.11 1b80 s THR 326 Ca 0.37 0.85 -0.03 0.00 -1.21 0.00 0.00 61.69 61.68 1b80 s THR 326 Cb -0.07 -3.81 -0.03 0.00 -1.51 0.00 0.00 72.50 67.08 1b80 s THR 326 CO 0.26 -0.90 -0.05 -0.89 -2.21 0.00 0.00 174.62 170.83 1b80 s THR 327 N -2.86 3.76 0.66 5.08 2.01 -1.26 -0.86 115.64 122.18 1b80 s THR 327 Ca 0.55 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.97 1b80 s THR 327 Cb -0.10 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.77 1b80 s THR 327 CO 0.43 0.50 1.21 -0.76 -0.69 0.00 0.00 174.62 175.32 1b80 s LEU 328 N 0.30 3.48 0.75 4.42 1.43 -0.73 -4.94 118.68 123.39 1b80 s LEU 328 Ca -0.04 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.31 1b80 s LEU 328 Cb -0.14 -4.59 0.04 0.00 0.03 0.00 0.00 46.19 41.52 1b80 s LEU 328 CO 0.03 -1.93 1.09 -2.16 0.23 0.00 0.00 176.35 173.61 1b80 s PRO 329 N -3.65 2.50 0.79 1.29 0.04 -1.26 -4.14 135.00 130.57 1b80 s PRO 329 Ca 0.76 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1b80 s PRO 329 Cb -0.30 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1b80 s PRO 329 CO 0.40 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.52 1b80 n GLY 330 N -2.38 -2.02 3.78 0.56 0.00 -1.26 -4.78 105.19 99.09 1b80 n GLY 330 Ca 0.07 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1b80 n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b80 s PRO 331 N -0.00 3.04 0.28 1.61 0.04 -1.26 -4.13 135.00 134.57 1b80 s PRO 331 Ca 0.00 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1b80 s PRO 331 Cb 0.00 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 1b80 s PRO 331 CO 0.00 -1.07 1.61 -2.00 0.04 0.00 0.00 177.00 175.59 1b80 s GLU 332 N -3.83 4.12 0.15 4.56 2.12 -1.26 -4.73 118.70 119.84 1b80 s GLU 332 Ca 0.68 2.58 0.05 0.00 0.36 0.00 0.00 54.97 58.64 1b80 s GLU 332 Cb -0.21 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1b80 s GLU 332 CO 0.36 -0.65 -0.11 -0.08 -0.54 0.00 0.00 175.26 174.24 1b80 s THR 333 N 0.21 1.29 0.44 -1.70 -1.32 -1.26 -5.06 115.64 108.25 1b80 s THR 333 Ca 0.65 -2.02 -0.20 0.00 -1.21 0.00 0.00 61.69 58.91 1b80 s THR 333 Cb -0.48 -1.82 -0.10 0.00 -1.51 0.00 0.00 72.50 68.59 1b80 s THR 333 CO 0.45 -0.66 0.95 -0.44 -2.21 0.00 0.00 174.62 172.71 1b80 s SER 334 N -3.06 6.88 -0.10 8.08 0.01 -1.26 -4.66 113.70 119.58 1b80 s SER 334 Ca 0.16 1.66 -0.27 0.00 1.31 0.00 0.00 55.95 58.81 1b80 s SER 334 Cb 0.01 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 1b80 s SER 334 CO 0.02 -0.40 0.90 -0.69 0.41 0.00 0.00 173.24 173.49 1b80 s VAL 335 N -2.26 4.87 0.34 3.43 1.01 -0.68 -5.00 120.40 122.11 1b80 s VAL 335 Ca 0.61 1.83 -0.27 0.00 0.00 0.00 0.00 61.98 64.15 1b80 s VAL 335 Cb -0.09 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1b80 s VAL 335 CO 0.16 0.08 1.13 -1.10 0.00 0.00 0.00 175.10 175.37 1b80 s GLN 336 N 1.70 4.37 0.60 2.72 -1.52 -1.26 -4.52 119.66 121.75 1b80 s GLN 336 Ca 0.44 1.80 -0.14 0.00 -1.95 0.00 0.00 55.36 55.51 1b80 s GLN 336 Cb -0.18 -2.92 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 1b80 s GLN 336 CO 0.18 -0.03 1.04 -0.98 -0.25 0.00 0.00 175.29 175.24 1b80 s ARG 337 N -1.90 3.43 -0.43 2.91 1.70 -1.26 -4.71 118.95 118.70 1b80 s ARG 337 Ca 0.51 1.01 -0.02 0.00 -0.47 0.00 0.00 55.73 56.76 1b80 s ARG 337 Cb -0.31 -2.06 0.12 0.00 -0.57 0.00 0.00 34.95 32.13 1b80 s ARG 337 CO 0.39 -0.70 0.22 0.42 -1.08 0.00 0.00 175.30 174.54 1b80 s ILE 338 N -2.75 3.22 0.20 4.99 1.01 -0.23 -5.03 121.20 122.60 1b80 s ILE 338 Ca 0.60 -2.21 -0.31 0.00 0.00 0.00 0.00 60.65 58.73 1b80 s ILE 338 Cb -0.13 -3.21 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 1b80 s ILE 338 CO 0.42 -0.71 1.51 -2.84 0.00 0.00 0.00 174.94 173.33 1b80 s PRO 339 N 0.96 4.24 0.64 2.79 0.02 -1.26 -4.15 135.00 138.23 1b80 s PRO 339 Ca 0.10 2.33 -0.04 0.00 0.02 0.00 0.00 61.00 63.41 1b80 s PRO 339 Cb -0.22 -3.14 0.04 0.00 0.02 0.00 0.00 34.50 31.20 1b80 s PRO 339 CO -0.04 -0.53 0.93 -1.25 -0.33 0.00 0.00 177.00 175.77 1b80 s PRO 340 N 0.51 2.45 0.78 5.54 0.04 -1.26 -4.82 135.00 138.23 1b80 s PRO 340 Ca 0.65 -0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.26 1b80 s PRO 340 Cb -0.43 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 31.90 1b80 s PRO 340 CO 0.36 -0.98 1.08 -2.14 0.04 0.00 0.00 177.00 175.37 1b80 s PRO 341 N -5.06 2.24 0.16 0.56 0.02 -1.26 -4.95 135.00 126.70 1b80 s PRO 341 Ca 0.58 1.00 -0.33 0.00 0.02 0.00 0.00 61.00 62.27 1b80 s PRO 341 Cb -0.11 -1.91 -0.16 0.00 0.02 0.00 0.00 34.50 32.35 1b80 s PRO 341 CO 0.43 -1.61 1.10 -2.30 -0.33 0.00 0.00 177.00 174.30 1b80 n PRO 342 N -3.48 0.97 -0.54 5.54 -0.02 -1.26 -3.17 135.00 133.04 1b80 n PRO 342 Ca 0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1b80 n PRO 342 Cb 0.54 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1b80 n PRO 342 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b80 n GLY 343 N 1.95 0.73 0.13 -1.23 0.00 -1.26 -4.93 105.19 100.58 1b80 n GLY 343 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 1b80 n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32