#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b85 s GLU -2 N 0.00 3.53 -0.33 0.38 2.02 -1.26 -5.07 118.70 117.97 1b85 s GLU -2 Ca 0.00 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 54.93 1b85 s GLU -2 Cb 0.00 -3.14 0.10 0.00 0.10 0.00 0.00 34.13 31.19 1b85 s GLU -2 CO 0.00 0.71 0.04 0.21 0.02 0.00 0.00 175.26 176.23 1b85 s LYS -1 N -1.46 1.50 0.28 1.61 2.20 -1.25 -4.99 119.74 117.63 1b85 s LYS -1 Ca 0.22 -1.76 -0.30 0.00 -0.36 0.00 0.00 55.97 53.77 1b85 s LYS -1 Cb -0.13 -3.08 -0.12 0.00 -1.51 0.00 0.00 37.83 32.99 1b85 s LYS -1 CO 0.12 -0.90 1.57 -2.13 -0.36 0.00 0.00 175.35 173.64 1b85 n ARG 0 N 4.32 2.59 -3.76 4.03 0.63 -1.13 -1.39 116.66 121.94 1b85 n ARG 0 Ca 0.02 0.92 -0.12 0.00 -0.92 0.00 0.00 57.85 57.75 1b85 n ARG 0 Cb 0.42 -2.69 -0.08 0.00 0.45 0.00 0.00 32.46 30.57 1b85 n ARG 0 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b85 s ALA 1 N 0.03 -0.70 -0.23 5.13 0.00 -0.78 -4.83 121.76 120.39 1b85 s ALA 1 Ca 0.65 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1b85 s ALA 1 Cb -0.52 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1b85 s ALA 1 CO 0.48 -0.36 0.22 0.99 0.00 0.00 0.00 175.76 177.10 1b85 s THR 2 N -2.12 5.32 0.94 0.00 2.01 -1.26 -0.60 115.64 119.92 1b85 s THR 2 Ca -0.08 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 1b85 s THR 2 Cb -0.02 -3.56 0.19 0.00 0.01 0.00 0.00 72.50 69.12 1b85 s THR 2 CO -0.01 0.32 1.30 0.00 -0.69 0.00 0.00 174.62 175.54 1b85 h SER 4 N -1.56 0.00 -0.00 0.00 4.64 -1.94 -0.34 113.55 114.35 1b85 h SER 4 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1b85 h SER 4 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1b85 h SER 4 CO 0.39 0.14 0.00 -0.46 -0.87 0.00 0.00 176.83 176.04 1b85 n ASN 5 N -4.05 0.09 0.00 4.97 2.04 -1.26 -4.90 115.26 112.15 1b85 n ASN 5 Ca -0.02 -1.03 0.00 0.00 -0.44 0.00 0.00 54.58 53.08 1b85 n ASN 5 Cb 0.23 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.48 1b85 n ASN 5 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1b85 n GLY 6 N 1.01 0.68 3.87 4.83 0.00 -0.14 -5.06 105.19 110.38 1b85 n GLY 6 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.68 3.71 -0.09 1.61 -0.14 -1.26 -4.80 119.74 118.09 1b85 s LYS 7 Ca 0.00 0.12 -0.12 0.00 -1.36 0.00 0.00 55.97 54.61 1b85 s LYS 7 Cb 0.00 -3.09 -0.05 0.00 -1.68 0.00 0.00 37.83 33.01 1b85 s LYS 7 CO 0.00 0.64 0.30 0.99 -0.76 0.00 0.00 175.35 176.52 1b85 s THR 8 N -1.25 5.25 0.30 2.17 2.01 -1.26 -0.47 115.64 122.39 1b85 s THR 8 Ca 0.27 0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.88 1b85 s THR 8 Cb -0.14 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 1b85 s THR 8 CO 0.15 0.52 0.06 0.68 -0.69 0.00 0.00 174.62 175.34 1b85 s VAL 9 N -0.52 1.05 0.30 3.82 -7.23 0.23 -4.95 120.40 113.10 1b85 s VAL 9 Ca 0.19 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1b85 s VAL 9 Cb -0.14 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 34.11 1b85 s VAL 9 CO 0.08 -0.03 1.71 1.23 -0.31 0.00 0.00 175.10 177.78 1b85 h GLY 10 N 2.20 0.22 -5.22 2.32 0.00 -1.86 -2.07 103.07 98.66 1b85 h GLY 10 Ca -0.40 -0.21 -0.18 0.00 0.00 0.00 0.00 47.33 46.54 1b85 h GLY 10 CO 0.67 0.19 -0.58 -0.35 0.00 0.00 0.00 176.54 176.47 1b85 s ASP 11 N -6.88 -0.03 0.57 0.19 2.15 -1.25 -2.86 116.67 108.56 1b85 s ASP 11 Ca -0.04 0.02 0.27 0.00 0.43 0.00 0.00 52.55 53.22 1b85 s ASP 11 Cb 0.13 0.20 1.57 0.00 -0.30 0.00 0.00 42.92 44.53 1b85 s ASP 11 CO 0.77 -0.16 2.08 0.00 -0.17 0.00 0.00 175.17 177.69 1b85 h ALA 12 N 5.37 1.96 0.00 3.66 0.00 -1.52 -0.91 119.26 127.82 1b85 h ALA 12 Ca -0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1b85 h ALA 12 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1b85 h ALA 12 CO 0.43 -0.35 -0.08 0.66 0.00 0.00 0.00 179.25 179.91 1b85 h SER 13 N 0.00 0.00 0.60 0.00 4.64 -1.96 -2.75 113.55 114.07 1b85 h SER 13 Ca 0.11 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1b85 h SER 13 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1b85 h SER 13 CO -0.00 0.08 -0.24 0.00 -0.87 0.00 0.00 176.83 175.80 1b85 h ALA 16 N 1.66 1.00 0.00 0.00 0.00 -1.80 -2.26 119.26 117.86 1b85 h ALA 16 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1b85 h ALA 16 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1b85 h ALA 16 CO -0.10 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.06 1b85 n TRP 17 N -2.96 0.73 0.03 0.00 7.02 -0.06 -2.60 117.44 119.59 1b85 n TRP 17 Ca -0.00 0.23 -0.03 0.00 -1.02 0.00 0.00 57.50 56.68 1b85 n TRP 17 Cb 0.23 -0.87 0.23 0.00 -2.42 0.00 0.00 31.31 28.47 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 0.50 -0.20 -5.99 0.04 -1.54 0.11 116.94 109.86 1b85 h PHE 18 Ca 0.00 -0.10 -0.17 0.00 2.80 0.00 0.00 57.97 60.50 1b85 h PHE 18 Cb 0.62 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 1b85 h PHE 18 CO 0.00 0.65 -0.58 -0.44 -0.60 0.00 0.00 178.31 177.34 1b85 h ASP 19 N 0.41 0.73 -0.35 2.17 3.32 -1.68 -2.05 116.42 118.97 1b85 h ASP 19 Ca 0.06 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 1b85 h ASP 19 Cb 0.62 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1b85 h ASP 19 CO 0.04 1.15 0.15 0.58 -1.72 0.00 0.00 179.24 179.44 1b85 h VAL 20 N 0.49 1.18 -0.31 -1.35 2.07 -1.40 -2.77 116.25 114.16 1b85 h VAL 20 Ca 0.00 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.06 1b85 h VAL 20 Cb 1.15 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 1b85 h VAL 20 CO 0.11 0.19 -0.29 0.25 0.02 0.00 0.00 177.57 177.85 1b85 h LEU 21 N 0.43 -0.95 -0.78 2.57 5.85 -0.67 -1.22 115.31 120.53 1b85 h LEU 21 Ca 0.12 0.17 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1b85 h LEU 21 Cb 0.16 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1b85 h LEU 21 CO -0.01 -0.31 0.47 0.44 -0.34 0.00 0.00 178.44 178.69 1b85 h ASP 22 N -0.27 0.73 -0.05 1.25 3.32 -1.28 -0.44 116.42 119.68 1b85 h ASP 22 Ca 0.15 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1b85 h ASP 22 Cb 0.51 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1b85 h ASP 22 CO -0.46 0.47 0.01 -0.78 -1.72 0.00 0.00 179.24 176.75 1b85 h ASP 23 N 0.86 0.09 0.43 6.45 3.58 -1.32 -2.52 116.42 123.99 1b85 h ASP 23 Ca 0.34 -0.26 -0.16 0.00 0.42 0.00 0.00 57.03 57.37 1b85 h ASP 23 Cb 0.17 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1b85 h ASP 23 CO -0.17 0.32 -0.68 0.16 -2.88 0.00 0.00 179.24 175.99 1b85 h ILE 24 N -0.16 1.42 -0.77 2.25 3.07 -1.01 0.12 117.51 122.42 1b85 h ILE 24 Ca 0.02 -2.16 -0.01 0.00 1.55 0.00 0.00 64.86 64.25 1b85 h ILE 24 Cb 0.28 2.13 -0.04 0.00 -0.27 0.00 0.00 36.82 38.92 1b85 h ILE 24 CO 0.00 0.64 0.44 1.56 -1.05 0.00 0.00 178.15 179.74 1b85 h GLN 25 N 0.15 1.06 0.09 0.16 1.08 -1.07 0.32 115.11 116.90 1b85 h GLN 25 Ca -0.02 -0.11 -0.15 0.00 -1.45 0.00 0.00 58.65 56.92 1b85 h GLN 25 Cb 1.22 -0.21 0.02 0.00 -0.05 0.00 0.00 27.48 28.45 1b85 h GLN 25 CO 0.10 0.77 -0.66 0.37 -0.95 0.00 0.00 178.83 178.47 1b85 h GLN 26 N 1.06 0.29 -0.01 1.46 4.15 -1.29 0.88 115.11 121.65 1b85 h GLN 26 Ca 0.27 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1b85 h GLN 26 Cb 0.01 0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1b85 h GLN 26 CO -0.05 1.17 -0.40 0.09 -1.93 0.00 0.00 178.83 177.71 1b85 n ASN 27 N -4.21 1.64 -0.01 -0.69 3.02 0.39 -3.74 115.26 111.65 1b85 n ASN 27 Ca -0.13 -1.32 -0.02 0.00 -0.03 0.00 0.00 54.58 53.09 1b85 n ASN 27 Cb 0.74 0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 40.42 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 -0.21 2.23 -1.67 3.41 7.94 -0.07 -4.76 117.00 123.87 1b85 n LEU 28 Ca 0.07 -0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.06 1b85 n LEU 28 Cb 0.36 -0.07 0.37 0.00 0.53 0.00 0.00 43.42 44.62 1b85 n LEU 28 CO 0.23 0.40 0.83 0.49 -1.11 0.00 0.00 177.39 178.24 1b85 n PHE 29 N -2.70 1.64 -3.84 1.96 3.72 -0.21 -4.77 117.46 113.26 1b85 n PHE 29 Ca -0.04 -0.64 -0.24 0.00 -0.05 0.00 0.00 57.45 56.48 1b85 n PHE 29 Cb 0.53 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 0.99 -1.76 -1.52 1.38 8.25 -1.17 -1.07 115.22 120.33 1b85 n HIS 30 Ca 0.26 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.51 1b85 n HIS 30 Cb 0.97 -4.01 0.00 0.00 1.12 0.00 0.00 29.99 28.07 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 -1.81 0.96 2.16 -1.41 0.00 0.25 -4.46 105.19 100.88 1b85 n GLY 31 Ca -0.31 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.55 0.23 3.91 -0.02 0.00 -0.89 -5.00 105.19 102.86 1b85 n GLY 32 Ca 0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.77 3.60 -0.97 1.61 -0.21 -0.24 -4.75 119.66 113.93 1b85 s GLN 33 Ca 0.08 0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.53 1b85 s GLN 33 Cb -0.03 -2.52 0.32 0.00 1.00 0.00 0.00 33.01 31.77 1b85 s GLN 33 CO 0.09 0.02 1.59 0.00 -2.12 0.00 0.00 175.29 174.88 1b85 n GLY 35 N 0.31 3.67 0.19 0.00 0.00 -1.26 -4.60 105.19 103.51 1b85 n GLY 35 Ca 0.39 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.09 0.56 -0.42 4.61 0.00 -1.93 -0.69 119.26 121.30 1b85 h ALA 36 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1b85 h ALA 36 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1b85 h ALA 36 CO 0.00 0.05 -0.04 0.93 0.00 0.00 0.00 179.25 180.20 1b85 h GLU 37 N 0.58 0.70 -0.30 0.00 3.07 -1.94 -1.04 114.58 115.65 1b85 h GLU 37 Ca 0.16 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1b85 h GLU 37 Cb 0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1b85 h GLU 37 CO -0.03 0.74 0.05 0.00 -1.40 0.00 0.00 179.01 178.37 1b85 h ALA 38 N 1.31 0.40 -0.35 3.43 0.00 -1.70 -1.36 119.26 120.98 1b85 h ALA 38 Ca 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1b85 h ALA 38 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1b85 h ALA 38 CO 0.02 0.10 0.21 0.45 0.00 0.00 0.00 179.25 180.03 1b85 h HIS 39 N 0.33 0.39 -0.87 0.00 3.86 -0.78 -1.32 115.15 116.75 1b85 h HIS 39 Ca 0.09 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1b85 h HIS 39 Cb 0.34 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.64 1b85 h HIS 39 CO 0.02 0.23 0.58 0.93 0.86 0.00 0.00 177.93 180.55 1b85 h GLU 40 N 0.43 1.12 -0.64 2.45 5.08 -1.09 -1.66 114.58 120.26 1b85 h GLU 40 Ca 0.14 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1b85 h GLU 40 Cb 0.00 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 1b85 h GLU 40 CO -0.06 0.74 0.18 0.77 -1.00 0.00 0.00 179.01 179.64 1b85 h SER 41 N 1.15 0.93 -0.40 1.42 0.02 -0.74 -0.70 113.55 115.23 1b85 h SER 41 Ca 0.33 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.97 1b85 h SER 41 Cb -0.08 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1b85 h SER 41 CO -0.08 0.88 -0.31 0.40 -1.14 0.00 0.00 176.83 176.58 1b85 h ILE 42 N 0.95 1.28 -0.90 3.27 2.04 -0.78 -2.87 117.51 120.50 1b85 h ILE 42 Ca 0.21 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1b85 h ILE 42 Cb 0.30 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1b85 h ILE 42 CO -0.00 0.49 0.56 -0.09 0.00 0.00 0.00 178.15 179.11 1b85 h ARG 43 N 0.73 1.20 -0.24 2.37 2.43 -1.14 -2.71 114.38 117.01 1b85 h ARG 43 Ca 0.07 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1b85 h ARG 43 Cb 0.89 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1b85 h ARG 43 CO 0.08 0.82 0.11 1.25 -1.51 0.00 0.00 179.97 180.73 1b85 h LEU 44 N 1.23 0.29 -0.53 3.80 5.85 -0.91 -1.74 115.31 123.30 1b85 h LEU 44 Ca 0.32 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1b85 h LEU 44 Cb -0.09 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1b85 h LEU 44 CO -0.07 0.26 0.31 0.58 -0.34 0.00 0.00 178.44 179.18 1b85 h VAL 45 N 0.34 1.03 -0.39 1.05 2.07 -1.31 0.87 116.25 119.90 1b85 h VAL 45 Ca 0.09 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1b85 h VAL 45 Cb 0.04 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1b85 h VAL 45 CO -0.01 0.11 -0.14 0.15 0.02 0.00 0.00 177.57 177.70 1b85 h PHE 46 N 0.61 0.89 0.00 1.57 3.57 -1.38 -0.15 116.94 122.05 1b85 h PHE 46 Ca 0.22 -0.21 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 1b85 h PHE 46 Cb 0.05 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1b85 h PHE 46 CO -0.07 0.94 -0.45 0.45 -2.23 0.00 0.00 178.31 176.94 1b85 h HIS 47 N 0.59 0.00 -0.02 0.41 3.86 -1.04 -1.54 115.15 117.41 1b85 h HIS 47 Ca 0.09 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.19 1b85 h HIS 47 Cb 0.67 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.15 1b85 h HIS 47 CO 0.05 0.45 -0.45 0.22 0.86 0.00 0.00 177.93 179.06 1b85 h ASP 48 N 0.00 0.43 0.27 2.45 3.58 -0.74 -3.40 116.42 119.01 1b85 h ASP 48 Ca -0.00 -0.74 -0.31 0.00 0.42 0.00 0.00 57.03 56.40 1b85 h ASP 48 Cb 0.80 -0.13 0.03 0.00 1.72 0.00 0.00 39.33 41.75 1b85 h ASP 48 CO 0.06 1.11 -1.32 0.28 -2.88 0.00 0.00 179.24 176.49 1b85 h SER 49 N -0.21 0.78 0.65 2.28 0.02 -0.70 -3.30 113.55 113.06 1b85 h SER 49 Ca -0.05 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1b85 h SER 49 Cb 1.16 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1b85 h SER 49 CO 0.09 1.59 0.00 0.00 -1.14 0.00 0.00 176.83 177.37 1b85 n ILE 50 N -3.72 0.56 -2.38 3.27 0.13 -0.61 -3.90 119.36 112.71 1b85 n ILE 50 Ca -0.14 0.14 -0.43 0.00 -1.10 0.00 0.00 62.75 61.23 1b85 n ILE 50 Cb 1.03 -0.79 0.00 0.00 -0.84 0.00 0.00 39.64 39.04 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 4.33 -3.48 1.51 0.00 -1.24 -4.81 120.51 115.35 1b85 n ALA 51 Ca 0.06 -3.97 -0.14 0.00 0.00 0.00 0.00 53.44 49.39 1b85 n ALA 51 Cb 0.22 -3.44 -0.08 0.00 0.00 0.00 0.00 19.45 16.15 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 3.14 0.00 -0.30 0.00 2.07 -1.22 -2.55 121.20 122.35 1b85 s ILE 52 Ca 0.49 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.72 1b85 s ILE 52 Cb 0.06 -0.82 0.16 0.00 0.13 0.00 0.00 42.46 41.99 1b85 s ILE 52 CO 0.01 -0.01 0.40 -0.55 -1.91 0.00 0.00 174.94 172.88 1b85 s SER 53 N 0.07 0.54 0.36 4.50 0.15 -0.84 -4.19 113.70 114.29 1b85 s SER 53 Ca -0.02 -0.53 0.11 0.00 0.70 0.00 0.00 55.95 56.20 1b85 s SER 53 Cb -0.04 1.02 0.87 0.00 -1.71 0.00 0.00 66.02 66.16 1b85 s SER 53 CO 0.02 -0.35 1.86 -0.65 1.20 0.00 0.00 173.24 175.32 1b85 h PRO 54 N 8.06 0.61 -0.55 5.44 0.11 -1.89 -1.85 132.00 141.92 1b85 h PRO 54 Ca -0.08 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 1b85 h PRO 54 Cb 1.11 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1b85 h PRO 54 CO 0.26 0.41 0.21 0.00 -0.21 0.00 0.00 178.00 178.67 1b85 h ALA 55 N 1.61 0.72 -0.36 -0.75 0.00 -1.94 -1.40 119.26 117.14 1b85 h ALA 55 Ca 0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1b85 h ALA 55 Cb 0.84 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1b85 h ALA 55 CO -0.22 0.34 0.10 0.52 0.00 0.00 0.00 179.25 180.00 1b85 h MET 56 N 0.76 0.56 -0.87 0.00 2.86 -1.67 -2.81 114.93 113.75 1b85 h MET 56 Ca 0.18 -0.13 0.11 0.00 -2.06 0.00 0.00 59.70 57.80 1b85 h MET 56 Cb 0.22 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 1b85 h MET 56 CO -0.01 0.59 0.51 0.93 1.06 0.00 0.00 176.91 179.99 1b85 h GLU 57 N 0.42 0.79 -0.08 1.72 4.39 -1.16 0.22 114.58 120.89 1b85 h GLU 57 Ca 0.11 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1b85 h GLU 57 Cb 0.28 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1b85 h GLU 57 CO -0.00 0.53 0.01 0.00 -1.16 0.00 0.00 179.01 178.38 1b85 h ALA 58 N 1.49 1.86 0.00 3.43 0.00 -1.07 -0.63 119.26 124.34 1b85 h ALA 58 Ca 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1b85 h ALA 58 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1b85 h ALA 58 CO -0.27 0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.13 1b85 n GLN 59 N -4.47 0.97 -0.27 0.00 6.02 0.73 -4.88 117.38 115.48 1b85 n GLN 59 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1b85 n GLN 59 Cb 0.12 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.07 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 0.76 0.98 3.95 1.08 0.00 -0.24 -5.05 105.19 106.66 1b85 n GLY 60 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.55 3.38 -0.17 1.61 3.01 -1.01 -4.99 119.74 121.03 1b85 s LYS 61 Ca 0.00 -0.74 -0.29 0.00 -1.01 0.00 0.00 55.97 53.92 1b85 s LYS 61 Cb 0.00 -2.88 -0.01 0.00 -1.01 0.00 0.00 37.83 33.93 1b85 s LYS 61 CO 0.00 0.45 1.20 0.12 0.51 0.00 0.00 175.35 177.63 1b85 s PHE 62 N -1.92 3.02 -1.73 3.18 5.36 -1.26 -2.79 117.98 121.83 1b85 s PHE 62 Ca 0.34 1.15 0.21 0.00 -0.96 0.00 0.00 56.93 57.68 1b85 s PHE 62 Cb -0.09 -3.43 0.68 0.00 -0.34 0.00 0.00 43.02 39.83 1b85 s PHE 62 CO 0.28 -1.33 1.57 0.41 -1.46 0.00 0.00 175.22 174.69 1b85 n GLY 63 N 3.50 2.53 0.00 13.12 0.00 -1.26 -4.67 105.19 118.41 1b85 n GLY 63 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 1.51 1.53 0.47 -0.02 0.00 -1.26 -1.99 105.19 105.43 1b85 n GLY 64 Ca 0.25 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.66 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 1.48 -0.02 7.00 -0.02 0.00 -1.24 -4.41 105.19 107.98 1b85 n GLY 65 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.19 1.31 3.57 -0.02 0.00 -1.06 -4.32 105.19 105.86 1b85 n GLY 66 Ca 0.19 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 2.71 0.00 4.61 0.00 0.12 -4.24 121.76 122.96 1b85 s ALA 67 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.56 1b85 s ALA 67 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.53 1b85 s ALA 67 CO 0.00 -3.81 0.65 -0.40 0.00 0.00 0.00 175.76 172.20 1b85 n ASP 68 N 9.87 0.86 -0.08 0.00 5.68 -1.26 -4.87 116.55 126.76 1b85 n ASP 68 Ca 0.41 -1.39 -0.01 0.00 -0.50 0.00 0.00 54.79 53.29 1b85 n ASP 68 Cb 0.48 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1b85 n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b85 n GLY 69 N -0.20 0.43 0.32 6.12 0.00 -1.26 -1.81 105.19 108.79 1b85 n GLY 69 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.65 0.76 1.61 4.64 -1.90 -0.79 113.55 118.52 1b85 h SER 70 Ca -0.02 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1b85 h SER 70 Cb 0.32 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1b85 h SER 70 CO 0.03 0.53 0.00 -0.29 -0.87 0.00 0.00 176.83 176.23 1b85 h ILE 71 N 0.74 0.00 0.01 0.95 2.10 -1.90 0.18 117.51 119.59 1b85 h ILE 71 Ca 0.19 -0.38 -0.27 0.00 1.08 0.00 0.00 64.86 65.48 1b85 h ILE 71 Cb 0.03 1.37 -0.04 0.00 -1.09 0.00 0.00 36.82 37.10 1b85 h ILE 71 CO -0.03 0.00 -1.48 0.80 -1.08 0.00 0.00 178.15 176.36 1b85 n MET 72 N -3.07 0.59 -0.05 2.19 1.56 -0.45 -3.35 117.12 114.53 1b85 n MET 72 Ca -0.00 0.51 -0.09 0.00 -0.27 0.00 0.00 57.70 57.85 1b85 n MET 72 Cb 0.25 -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 -0.90 0.99 -1.85 1.12 2.04 -1.05 -3.01 117.51 114.84 1b85 h ILE 73 Ca -0.40 -0.08 -0.70 0.00 1.00 0.00 0.00 64.86 64.69 1b85 h ILE 73 Cb 1.41 0.74 -0.33 0.00 -0.74 0.00 0.00 36.82 37.90 1b85 h ILE 73 CO -0.21 0.04 0.31 0.49 0.00 0.00 0.00 178.15 178.78 1b85 n PHE 74 N -5.00 3.19 0.21 1.37 3.72 0.04 -4.84 117.46 116.15 1b85 n PHE 74 Ca -0.02 -2.72 0.05 0.00 -0.05 0.00 0.00 57.45 54.70 1b85 n PHE 74 Cb 0.06 -0.74 0.46 0.00 -0.94 0.00 0.00 39.48 38.32 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 2.93 0.00 0.28 4.37 2.03 -1.53 -1.50 116.42 123.00 1b85 h ASP 75 Ca 0.44 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.70 1b85 h ASP 75 Cb 0.40 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.90 1b85 h ASP 75 CO 1.17 0.26 -0.20 0.44 -1.03 0.00 0.00 179.24 179.88 1b85 h ASP 76 N 0.00 0.00 0.00 4.15 5.19 -1.88 -2.13 116.42 121.75 1b85 h ASP 76 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1b85 h ASP 76 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1b85 h ASP 76 CO 0.03 0.20 -0.18 0.40 -3.12 0.00 0.00 179.24 176.58 1b85 h ILE 77 N 0.00 0.00 -0.06 0.35 2.04 -1.81 -3.39 117.51 114.64 1b85 h ILE 77 Ca -0.00 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1b85 h ILE 77 Cb 0.39 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1b85 h ILE 77 CO 0.03 0.00 -0.20 -0.33 0.00 0.00 0.00 178.15 177.65 1b85 h GLU 78 N -0.45 0.09 -0.00 2.37 5.08 -1.37 -2.76 114.58 117.54 1b85 h GLU 78 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1b85 h GLU 78 Cb 0.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1b85 h GLU 78 CO 0.00 0.30 -0.01 0.25 -1.00 0.00 0.00 179.01 178.54 1b85 n THR 79 N -4.26 0.00 0.89 1.13 -2.24 -0.80 -2.09 114.28 106.90 1b85 n THR 79 Ca -0.02 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 1b85 n THR 79 Cb 0.29 -0.40 0.18 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.01 3.54 -1.77 6.98 0.00 -1.04 -4.50 120.51 122.72 1b85 n ALA 80 Ca 0.20 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1b85 n ALA 80 Cb 0.18 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 -3.05 3.23 0.22 0.00 0.08 -0.89 -4.93 117.98 112.65 1b85 s PHE 81 Ca 0.09 1.55 -0.08 0.00 0.12 0.00 0.00 56.93 58.61 1b85 s PHE 81 Cb 0.16 -3.47 0.28 0.00 -0.57 0.00 0.00 43.02 39.42 1b85 s PHE 81 CO 0.73 -1.28 1.80 1.25 -0.10 0.00 0.00 175.22 177.62 1b85 h HIS 82 N 3.34 0.67 0.00 0.36 2.76 -1.89 -0.80 115.15 119.59 1b85 h HIS 82 Ca -0.48 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.71 1b85 h HIS 82 Cb 1.22 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.98 1b85 h HIS 82 CO 0.57 0.29 -0.02 -1.35 -1.30 0.00 0.00 177.93 176.12 1b85 h PRO 83 N 0.66 0.00 -0.61 5.26 0.11 -1.90 -2.18 132.00 133.34 1b85 h PRO 83 Ca 0.32 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.38 1b85 h PRO 83 Cb 0.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 1b85 h PRO 83 CO -0.22 0.02 0.06 0.09 -0.21 0.00 0.00 178.00 177.74 1b85 n ASN 84 N -3.41 5.55 -4.70 -2.05 3.02 -0.31 -5.00 115.26 108.36 1b85 n ASN 84 Ca -0.03 -3.01 -0.44 0.00 -0.03 0.00 0.00 54.58 51.08 1b85 n ASN 84 Cb 0.12 -0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 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 0.44 0.94 0.00 2.41 3.06 -0.82 -2.05 119.36 123.33 1b85 n ILE 85 Ca 0.31 -0.24 0.00 0.00 -2.50 0.00 0.00 62.75 60.32 1b85 n ILE 85 Cb 1.25 -1.66 0.00 0.00 0.54 0.00 0.00 39.64 39.77 1b85 n ILE 85 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1b85 n GLY 86 N 2.22 2.29 0.06 4.50 0.00 -1.26 -4.90 105.19 108.09 1b85 n GLY 86 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.44 0.22 0.99 4.77 -0.87 -3.29 117.00 119.26 1b85 n LEU 87 Ca 0.00 0.55 0.07 0.00 -0.03 0.00 0.00 56.01 56.60 1b85 n LEU 87 Cb 0.00 -0.42 0.50 0.00 -2.33 0.00 0.00 43.42 41.17 1b85 n LEU 87 CO 0.00 -0.14 0.83 -0.78 -1.33 0.00 0.00 177.39 175.97 1b85 h ASP 88 N 0.00 0.00 -0.15 -1.43 3.58 -1.86 -1.04 116.42 115.51 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 0.59 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1b85 h ASP 88 CO 0.00 0.26 0.09 -0.08 -2.88 0.00 0.00 179.24 176.62 1b85 h GLU 89 N 0.00 0.22 -0.11 0.28 4.22 -1.78 -0.09 114.58 117.32 1b85 h GLU 89 Ca -0.00 -0.02 -0.16 0.00 0.08 0.00 0.00 59.36 59.25 1b85 h GLU 89 Cb 0.54 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1b85 h GLU 89 CO 0.03 0.22 -0.62 0.97 -2.18 0.00 0.00 179.01 177.44 1b85 h ILE 90 N 0.15 1.36 -0.54 2.32 6.09 -1.70 -2.24 117.51 122.96 1b85 h ILE 90 Ca 0.05 -1.95 0.01 0.00 -1.37 0.00 0.00 64.86 61.60 1b85 h ILE 90 Cb 0.07 1.95 -0.03 0.00 0.47 0.00 0.00 36.82 39.28 1b85 h ILE 90 CO -0.01 0.59 0.36 0.58 -3.07 0.00 0.00 178.15 176.60 1b85 h VAL 91 N 0.29 1.14 -0.10 2.19 2.07 -1.02 -0.85 116.25 119.97 1b85 h VAL 91 Ca -0.01 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1b85 h VAL 91 Cb 1.15 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1b85 h VAL 91 CO 0.10 0.13 -0.16 0.11 0.02 0.00 0.00 177.57 177.78 1b85 h LYS 92 N 0.73 0.16 0.00 1.57 1.57 -0.89 -1.51 116.57 118.19 1b85 h LYS 92 Ca 0.20 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 1b85 h LYS 92 Cb -0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1b85 h LYS 92 CO -0.04 0.32 -0.61 -0.07 -0.57 0.00 0.00 179.45 178.48 1b85 h LEU 93 N 0.15 0.00 0.12 2.94 3.38 -0.84 -3.30 115.31 117.76 1b85 h LEU 93 Ca 0.03 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.71 1b85 h LEU 93 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1b85 h LEU 93 CO 0.02 0.61 -1.40 1.56 0.09 0.00 0.00 178.44 179.33 1b85 h GLN 94 N 0.00 0.26 -0.73 1.13 4.20 -0.54 -3.40 115.11 116.03 1b85 h GLN 94 Ca -0.01 -0.45 0.15 0.00 0.06 0.00 0.00 58.65 58.41 1b85 h GLN 94 Cb 1.25 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 29.07 1b85 h GLN 94 CO 0.08 1.16 -0.11 0.87 -0.67 0.00 0.00 178.83 180.16 1b85 h LYS 95 N 0.07 0.03 -0.53 1.46 1.57 -1.38 -1.85 116.57 115.94 1b85 h LYS 95 Ca -0.19 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1b85 h LYS 95 Cb 2.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.27 1b85 h LYS 95 CO 0.18 0.02 0.36 -1.35 -0.57 0.00 0.00 179.45 178.10 1b85 h PRO 96 N 0.04 0.32 -0.23 3.15 0.11 -1.78 -1.12 132.00 132.48 1b85 h PRO 96 Ca 0.37 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.32 1b85 h PRO 96 Cb 0.60 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1b85 h PRO 96 CO -0.71 0.21 -0.45 0.74 -0.21 0.00 0.00 178.00 177.58 1b85 h PHE 97 N 0.33 0.71 -0.23 0.65 0.04 -1.59 -1.10 116.94 115.75 1b85 h PHE 97 Ca 0.25 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1b85 h PHE 97 Cb 0.53 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1b85 h PHE 97 CO -0.00 0.93 0.09 0.28 -0.60 0.00 0.00 178.31 179.01 1b85 h VAL 98 N 0.47 1.17 -0.20 -0.55 2.07 -1.14 -1.82 116.25 116.26 1b85 h VAL 98 Ca 0.03 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1b85 h VAL 98 Cb 0.97 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1b85 h VAL 98 CO 0.09 0.17 0.03 1.56 0.02 0.00 0.00 177.57 179.44 1b85 h GLN 99 N 0.21 0.32 -0.69 1.57 4.20 -1.32 -1.85 115.11 117.55 1b85 h GLN 99 Ca 0.07 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1b85 h GLN 99 Cb 0.19 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1b85 h GLN 99 CO -0.01 0.48 0.33 -0.22 -0.67 0.00 0.00 178.83 178.74 1b85 h LYS 100 N 0.12 0.99 -0.01 1.46 3.64 -1.15 -3.26 116.57 118.37 1b85 h LYS 100 Ca 0.06 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1b85 h LYS 100 Cb 0.31 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1b85 h LYS 100 CO 0.00 0.79 -0.45 0.72 -2.27 0.00 0.00 179.45 178.24 1b85 n HIS 101 N -4.44 0.00 -3.30 1.91 8.25 -0.69 -4.98 115.22 111.98 1b85 n HIS 101 Ca 0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.32 1b85 n HIS 101 Cb 0.13 -0.12 0.06 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.25 3.84 -1.41 0.00 -0.70 -5.03 105.19 103.06 1b85 n GLY 102 Ca 0.09 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.22 3.49 0.55 1.61 -7.23 -1.21 -5.09 120.40 109.29 1b85 s VAL 103 Ca 0.43 -1.40 -0.18 0.00 -1.81 0.00 0.00 61.98 59.03 1b85 s VAL 103 Cb -0.19 -3.17 -0.06 0.00 0.56 0.00 0.00 36.38 33.53 1b85 s VAL 103 CO 0.54 -0.17 1.06 0.42 -0.31 0.00 0.00 175.10 176.63 1b85 s THR 104 N -2.32 3.73 0.21 5.32 -4.23 -1.26 -4.85 115.64 112.24 1b85 s THR 104 Ca 0.41 0.94 -0.08 0.00 -1.18 0.00 0.00 61.69 61.77 1b85 s THR 104 Cb -0.05 -3.39 0.16 0.00 1.34 0.00 0.00 72.50 70.55 1b85 s THR 104 CO 0.26 -0.37 1.79 -0.65 -0.54 0.00 0.00 174.62 175.12 1b85 h PRO 105 N 0.94 1.17 -0.64 3.99 0.11 -1.89 0.11 132.00 135.79 1b85 h PRO 105 Ca -0.48 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 65.42 1b85 h PRO 105 Cb 1.22 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1b85 h PRO 105 CO 0.58 0.93 0.35 0.78 -0.21 0.00 0.00 178.00 180.43 1b85 h GLY 106 N 1.14 0.95 1.32 -0.55 0.00 -1.83 -1.15 103.07 102.95 1b85 h GLY 106 Ca 0.27 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 47.01 1b85 h GLY 106 CO -0.03 0.41 -0.48 -0.55 0.00 0.00 0.00 176.54 175.89 1b85 h ASP 107 N 0.87 0.79 -0.39 0.19 3.32 -1.69 -2.14 116.42 117.37 1b85 h ASP 107 Ca 0.22 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1b85 h ASP 107 Cb 0.04 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1b85 h ASP 107 CO -0.04 1.14 0.16 0.15 -1.72 0.00 0.00 179.24 178.93 1b85 h PHE 108 N 0.57 0.59 -0.63 4.55 3.57 -0.65 0.06 116.94 125.01 1b85 h PHE 108 Ca 0.03 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1b85 h PHE 108 Cb 1.04 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 1b85 h PHE 108 CO 0.05 0.52 0.38 0.82 -2.23 0.00 0.00 178.31 177.86 1b85 h ILE 109 N 0.49 1.05 -0.47 1.41 2.04 -1.08 0.82 117.51 121.77 1b85 h ILE 109 Ca 0.13 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1b85 h ILE 109 Cb 0.18 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1b85 h ILE 109 CO -0.01 0.13 -0.07 0.00 0.00 0.00 0.00 178.15 178.21 1b85 h ALA 110 N 1.28 0.99 0.14 1.87 0.00 -1.16 -1.93 119.26 120.46 1b85 h ALA 110 Ca 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1b85 h ALA 110 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1b85 h ALA 110 CO -0.12 0.61 -0.07 0.35 0.00 0.00 0.00 179.25 180.02 1b85 h PHE 111 N 0.76 -0.17 -0.28 0.00 3.57 -0.46 -2.25 116.94 118.10 1b85 h PHE 111 Ca 0.13 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1b85 h PHE 111 Cb 0.55 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1b85 h PHE 111 CO 0.03 0.05 0.07 0.00 -2.23 0.00 0.00 178.31 176.23 1b85 h ALA 112 N 0.46 1.60 -0.45 2.41 0.00 -0.82 -0.14 119.26 122.31 1b85 h ALA 112 Ca -0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1b85 h ALA 112 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1b85 h ALA 112 CO 0.03 0.31 0.06 0.78 0.00 0.00 0.00 179.25 180.43 1b85 h GLY 113 N 0.62 0.82 1.14 0.00 0.00 -1.28 0.74 103.07 105.11 1b85 h GLY 113 Ca 0.10 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.69 1b85 h GLY 113 CO -0.00 0.52 -0.46 0.00 0.00 0.00 0.00 176.54 176.60 1b85 h ALA 114 N 0.94 0.52 -0.43 3.60 0.00 -0.80 -2.09 119.26 121.00 1b85 h ALA 114 Ca 0.14 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1b85 h ALA 114 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1b85 h ALA 114 CO 0.01 0.68 0.02 0.28 0.00 0.00 0.00 179.25 180.24 1b85 h VAL 115 N 0.73 1.26 -0.63 0.00 2.07 -0.96 -1.58 116.25 117.14 1b85 h VAL 115 Ca 0.04 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.68 1b85 h VAL 115 Cb 1.06 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 1b85 h VAL 115 CO 0.11 0.34 0.22 0.00 0.02 0.00 0.00 177.57 178.26 1b85 h ALA 116 N 0.91 0.82 -0.40 1.67 0.00 -0.77 -1.23 119.26 120.25 1b85 h ALA 116 Ca 0.12 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1b85 h ALA 116 Cb 0.45 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1b85 h ALA 116 CO 0.02 -0.21 -0.02 -0.07 0.00 0.00 0.00 179.25 178.96 1b85 h LEU 117 N 0.39 0.63 -1.58 0.00 3.38 -1.10 -2.18 115.31 114.86 1b85 h LEU 117 Ca 0.33 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1b85 h LEU 117 Cb 0.43 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1b85 h LEU 117 CO -0.34 0.72 0.00 0.77 0.09 0.00 0.00 178.44 179.68 1b85 h SER 118 N 0.62 0.00 1.20 -0.43 4.64 -0.22 -1.07 113.55 118.29 1b85 h SER 118 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1b85 h SER 118 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1b85 h SER 118 CO 0.02 0.00 -0.05 0.59 -0.87 0.00 0.00 176.83 176.52 1b85 n ASN 119 N -2.72 0.44 -4.61 4.97 5.03 -0.82 -4.37 115.26 113.17 1b85 n ASN 119 Ca -0.00 0.49 -0.39 0.00 0.87 0.00 0.00 54.58 55.55 1b85 n ASN 119 Cb 0.19 -0.58 -0.09 0.00 -1.02 0.00 0.00 39.78 38.28 1b85 n ASN 119 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1b85 n PRO 121 N 5.18 1.74 0.00 0.00 -0.02 -1.25 -1.91 135.00 138.74 1b85 n PRO 121 Ca -0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1b85 n PRO 121 Cb 0.51 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.91 2.40 3.73 -1.23 0.00 0.63 -1.18 105.19 110.44 1b85 n GLY 122 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.24 2.11 0.99 4.61 0.00 -0.80 -4.78 121.76 121.63 1b85 s ALA 123 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 1b85 s ALA 123 Cb 0.00 -3.44 0.18 0.00 0.00 0.00 0.00 23.12 19.87 1b85 s ALA 123 CO 0.00 -1.88 1.08 -2.14 0.00 0.00 0.00 175.76 172.82 1b85 s PRO 124 N -4.06 0.48 -0.35 0.00 0.02 -1.26 -4.73 135.00 125.10 1b85 s PRO 124 Ca 0.72 0.98 -0.29 0.00 0.02 0.00 0.00 61.00 62.42 1b85 s PRO 124 Cb -0.27 -1.71 0.01 0.00 0.02 0.00 0.00 34.50 32.55 1b85 s PRO 124 CO 0.47 -2.82 1.29 -0.65 -0.33 0.00 0.00 177.00 174.96 1b85 s GLN 125 N -4.72 3.83 0.35 5.54 -1.52 -1.26 -4.66 119.66 117.21 1b85 s GLN 125 Ca 0.66 1.09 -0.10 0.00 -1.95 0.00 0.00 55.36 55.05 1b85 s GLN 125 Cb -0.21 -3.90 -0.07 0.00 -0.22 0.00 0.00 33.01 28.61 1b85 s GLN 125 CO 0.60 -1.23 0.70 -1.64 -0.25 0.00 0.00 175.29 173.47 1b85 s MET 126 N 4.32 3.79 0.30 2.91 -1.94 -1.26 -5.01 119.30 122.41 1b85 s MET 126 Ca 0.55 0.39 0.04 0.00 -1.71 0.00 0.00 55.69 54.96 1b85 s MET 126 Cb -0.14 -2.48 -0.02 0.00 2.01 0.00 0.00 34.83 34.19 1b85 s MET 126 CO 0.25 0.09 0.45 -0.80 -0.01 0.00 0.00 175.02 175.00 1b85 s ASN 127 N -2.92 6.21 -0.20 3.03 -0.87 -1.26 -4.85 114.94 114.08 1b85 s ASN 127 Ca 0.50 0.13 -0.05 0.00 -1.57 0.00 0.00 52.86 51.87 1b85 s ASN 127 Cb -0.10 -1.75 0.10 0.00 -0.02 0.00 0.00 41.25 39.47 1b85 s ASN 127 CO 0.27 -0.25 0.36 0.12 -2.57 0.00 0.00 177.10 175.04 1b85 s PHE 128 N -2.15 -0.70 0.07 2.20 5.36 -1.26 -4.84 117.98 116.66 1b85 s PHE 128 Ca 0.39 1.07 0.07 0.00 -0.96 0.00 0.00 56.93 57.50 1b85 s PHE 128 Cb -0.09 0.09 -0.04 0.00 -0.34 0.00 0.00 43.02 42.64 1b85 s PHE 128 CO 0.32 -0.56 -0.14 -0.06 -1.46 0.00 0.00 175.22 173.32 1b85 s PHE 129 N 2.53 2.65 0.35 10.12 0.40 -1.26 -0.56 117.98 132.21 1b85 s PHE 129 Ca 0.05 -0.20 0.08 0.00 -0.60 0.00 0.00 56.93 56.26 1b85 s PHE 129 Cb -0.14 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1b85 s PHE 129 CO -0.13 0.34 0.14 0.95 0.70 0.00 0.00 175.22 177.22 1b85 s THR 130 N -1.06 2.95 0.00 0.64 -4.23 0.30 -4.90 115.64 109.34 1b85 s THR 130 Ca 0.17 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1b85 s THR 130 Cb -0.11 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1b85 s THR 130 CO 0.09 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1b85 n GLY 131 N -1.15 0.27 3.61 3.99 0.00 -1.26 -1.60 105.19 109.05 1b85 n GLY 131 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 3.92 0.57 1.61 0.52 -1.26 -4.97 118.95 119.34 1b85 s ARG 132 Ca 0.00 0.69 -0.18 0.00 -0.52 0.00 0.00 55.73 55.72 1b85 s ARG 132 Cb 0.00 -3.77 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 1b85 s ARG 132 CO 0.00 -0.87 1.11 0.00 0.02 0.00 0.00 175.30 175.57 1b85 s ALA 133 N 3.38 2.66 0.25 2.13 0.00 -1.26 -4.54 121.76 124.38 1b85 s ALA 133 Ca 0.38 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 1b85 s ALA 133 Cb -0.13 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 1b85 s ALA 133 CO 0.16 -0.85 1.52 -2.30 0.00 0.00 0.00 175.76 174.29 1b85 n PRO 134 N -1.56 2.35 -1.58 0.00 -0.02 -1.26 -4.79 135.00 128.14 1b85 n PRO 134 Ca 0.11 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 62.06 1b85 n PRO 134 Cb 0.51 -2.56 0.08 0.00 -0.02 0.00 0.00 33.50 31.51 1b85 n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b85 n ALA 135 N 2.29 0.72 0.37 3.55 0.00 -0.75 -4.94 120.51 121.74 1b85 n ALA 135 Ca 0.11 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1b85 n ALA 135 Cb 0.33 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 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 -2.20 0.00 -3.87 0.00 -2.24 -1.26 -4.97 114.28 99.74 1b85 n THR 136 Ca 0.15 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1b85 n THR 136 Cb 0.49 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.59 0.24 0.54 -0.78 -0.21 -1.26 -5.15 119.66 111.44 1b85 s GLN 137 Ca 0.04 -0.13 -0.20 0.00 0.02 0.00 0.00 55.36 55.09 1b85 s GLN 137 Cb 0.06 0.10 -0.05 0.00 1.00 0.00 0.00 33.01 34.12 1b85 s GLN 137 CO 0.29 -0.04 1.18 -1.25 -2.12 0.00 0.00 175.29 173.34 1b85 s PRO 138 N -0.56 3.31 0.68 2.91 0.04 -1.26 -4.81 135.00 135.31 1b85 s PRO 138 Ca -0.06 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 1b85 s PRO 138 Cb -0.04 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1b85 s PRO 138 CO 0.00 -0.92 1.06 0.00 0.04 0.00 0.00 177.00 177.19 1b85 s ALA 139 N -1.63 2.64 0.92 8.56 0.00 -1.26 -4.80 121.76 126.19 1b85 s ALA 139 Ca 0.72 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 1b85 s ALA 139 Cb -0.28 -3.21 0.14 0.00 0.00 0.00 0.00 23.12 19.77 1b85 s ALA 139 CO 0.32 -1.18 1.11 -2.14 0.00 0.00 0.00 175.76 173.87 1b85 s PRO 140 N -4.72 1.06 0.66 0.00 0.02 -1.26 -4.87 135.00 125.88 1b85 s PRO 140 Ca 0.60 0.51 -0.03 0.00 0.02 0.00 0.00 61.00 62.10 1b85 s PRO 140 Cb -0.15 -1.81 0.06 0.00 0.02 0.00 0.00 34.50 32.62 1b85 s PRO 140 CO 0.50 -2.30 0.93 0.34 -0.33 0.00 0.00 177.00 176.14 1b85 s ASP 141 N -3.71 4.87 0.00 2.53 2.15 -1.26 -4.37 116.67 116.88 1b85 s ASP 141 Ca 0.64 0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.80 1b85 s ASP 141 Cb -0.17 -0.87 0.00 0.00 -0.30 0.00 0.00 42.92 41.59 1b85 s ASP 141 CO 0.56 -1.50 0.00 0.61 -0.17 0.00 0.00 175.17 174.66 1b85 n GLY 142 N -2.73 0.73 0.00 2.66 0.00 -1.26 -4.93 105.19 99.66 1b85 n GLY 142 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 0.17 -4.53 0.99 4.77 -1.26 -4.96 117.00 112.18 1b85 n LEU 143 Ca 0.00 -0.19 -0.35 0.00 -0.03 0.00 0.00 56.01 55.44 1b85 n LEU 143 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1b85 n LEU 143 CO 0.00 0.04 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.14 1b85 s VAL 144 N -2.38 4.49 0.70 4.08 1.01 -1.26 -4.69 120.40 122.37 1b85 s VAL 144 Ca -0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1b85 s VAL 144 Cb 0.07 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1b85 s VAL 144 CO 0.40 0.40 1.09 -2.65 0.00 0.00 0.00 175.10 174.34 1b85 n PRO 145 N 4.21 0.66 -4.25 2.72 -0.02 -1.26 -4.80 135.00 132.26 1b85 n PRO 145 Ca -0.16 0.28 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 1b85 n PRO 145 Cb 0.52 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.58 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 -3.41 2.20 0.44 -0.52 0.41 -1.26 -4.90 118.70 111.66 1b85 s GLU 146 Ca 0.76 -1.20 0.30 0.00 -0.41 0.00 0.00 54.97 54.43 1b85 s GLU 146 Cb -0.35 -2.24 1.45 0.00 -1.78 0.00 0.00 34.13 31.21 1b85 s GLU 146 CO 0.47 0.44 1.92 -1.00 -0.49 0.00 0.00 175.26 176.60 1b85 h PRO 147 N 2.85 0.00 -0.23 0.39 0.13 -1.96 -2.18 132.00 131.00 1b85 h PRO 147 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1b85 h PRO 147 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1b85 h PRO 147 CO 0.56 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.30 1b85 n PHE 148 N -2.65 0.28 -2.15 1.56 1.16 -1.26 -1.40 117.46 113.00 1b85 n PHE 148 Ca -0.00 -0.14 -0.34 0.00 -1.87 0.00 0.00 57.45 55.09 1b85 n PHE 148 Cb 0.17 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.04 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 -1.72 2.73 0.91 2.97 3.76 -0.82 -4.99 115.29 118.13 1b85 s HIS 149 Ca 0.34 1.55 -0.12 0.00 -0.15 0.00 0.00 55.06 56.68 1b85 s HIS 149 Cb 0.22 -3.20 0.14 0.00 1.11 0.00 0.00 32.58 30.84 1b85 s HIS 149 CO 0.31 -1.45 1.14 0.95 -0.85 0.00 0.00 174.74 174.83 1b85 s THR 150 N -2.01 2.00 0.24 1.30 -4.23 -1.26 -4.70 115.64 106.99 1b85 s THR 150 Ca 0.70 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.15 1b85 s THR 150 Cb -0.21 -2.76 0.20 0.00 1.34 0.00 0.00 72.50 71.07 1b85 s THR 150 CO 0.30 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 176.81 1b85 h VAL 151 N -1.48 1.25 -0.57 2.29 2.07 -1.95 -1.64 116.25 116.22 1b85 h VAL 151 Ca -0.50 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 1b85 h VAL 151 Cb 1.33 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1b85 h VAL 151 CO 0.62 0.30 0.13 0.44 0.02 0.00 0.00 177.57 179.08 1b85 h ASP 152 N 1.19 0.82 -0.37 0.57 3.32 -1.99 -0.92 116.42 119.04 1b85 h ASP 152 Ca 0.29 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1b85 h ASP 152 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1b85 h ASP 152 CO -0.04 0.80 0.02 1.56 -1.72 0.00 0.00 179.24 179.86 1b85 h GLN 153 N 0.84 0.64 -0.27 3.56 4.20 -1.81 -1.44 115.11 120.83 1b85 h GLN 153 Ca 0.18 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1b85 h GLN 153 Cb 0.31 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1b85 h GLN 153 CO -0.00 0.73 -0.01 0.82 -0.67 0.00 0.00 178.83 179.70 1b85 h ILE 154 N 0.47 1.26 -0.43 2.54 2.04 -0.98 -1.21 117.51 121.20 1b85 h ILE 154 Ca 0.11 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.08 1b85 h ILE 154 Cb 0.43 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1b85 h ILE 154 CO 0.01 0.30 0.11 0.40 0.00 0.00 0.00 178.15 178.97 1b85 h ILE 155 N 0.27 0.80 -0.60 -0.67 2.04 -1.13 -1.72 117.51 116.50 1b85 h ILE 155 Ca 0.08 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1b85 h ILE 155 Cb 0.44 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1b85 h ILE 155 CO 0.02 0.05 0.11 0.78 0.00 0.00 0.00 178.15 179.10 1b85 h ASN 156 N 0.25 0.91 -0.21 1.72 -0.26 -1.18 -2.16 115.58 114.64 1b85 h ASN 156 Ca 0.21 -0.19 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 1b85 h ASN 156 Cb 0.24 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1b85 h ASN 156 CO -0.25 0.90 0.01 -0.09 -1.06 0.00 0.00 177.43 176.94 1b85 h ARG 157 N 0.91 0.37 0.00 0.81 9.65 -0.82 -1.96 114.38 123.34 1b85 h ARG 157 Ca 0.19 -0.11 -0.10 0.00 -1.10 0.00 0.00 59.98 58.85 1b85 h ARG 157 Cb 0.38 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1b85 h ARG 157 CO 0.01 0.55 -0.48 -0.39 2.80 0.00 0.00 179.97 182.46 1b85 h VAL 158 N 0.14 1.15 -0.64 0.20 -1.51 -1.30 -1.11 116.25 113.17 1b85 h VAL 158 Ca 0.06 -1.75 -0.08 0.00 -1.23 0.00 0.00 66.70 63.70 1b85 h VAL 158 Cb 0.38 2.00 -0.03 0.00 -2.13 0.00 0.00 31.29 31.51 1b85 h VAL 158 CO 0.01 0.47 0.11 -1.13 -1.23 0.00 0.00 177.57 175.80 1b85 h ASN 159 N 0.00 1.02 0.08 4.19 -1.24 -1.30 -2.02 115.58 116.32 1b85 h ASN 159 Ca -0.00 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 56.74 1b85 h ASN 159 Cb 0.96 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.74 1b85 h ASN 159 CO 0.06 1.02 -0.04 -0.78 -1.29 0.00 0.00 177.43 176.40 1b85 h ASP 160 N 0.98 -0.09 -0.68 1.15 3.58 -1.09 0.15 116.42 120.42 1b85 h ASP 160 Ca 0.20 -0.30 0.03 0.00 0.42 0.00 0.00 57.03 57.37 1b85 h ASP 160 Cb 0.43 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 1b85 h ASP 160 CO 0.01 0.26 0.42 0.00 -2.88 0.00 0.00 179.24 177.05 1b85 h ALA 161 N 0.42 0.88 0.00 -0.78 0.00 -1.18 -3.38 119.26 115.21 1b85 h ALA 161 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b85 h ALA 161 Cb 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1b85 h ALA 161 CO 0.02 0.18 -0.30 0.41 0.00 0.00 0.00 179.25 179.56 1b85 n GLY 162 N -1.28 -0.35 2.89 0.00 0.00 -0.77 -4.81 105.19 100.87 1b85 n GLY 162 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.82 -2.90 1.61 1.02 0.04 -4.97 120.64 111.61 1b85 n GLU 163 Ca 0.00 0.85 -0.40 0.00 -0.02 0.00 0.00 57.16 57.59 1b85 n GLU 163 Cb 0.62 -5.64 -0.05 0.00 -0.02 0.00 0.00 31.44 26.36 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 -3.08 3.75 0.64 -0.32 0.08 -1.14 -4.93 117.98 112.99 1b85 s PHE 164 Ca 0.23 1.57 -0.02 0.00 0.12 0.00 0.00 56.93 58.83 1b85 s PHE 164 Cb -0.11 -2.90 0.13 0.00 -0.57 0.00 0.00 43.02 39.58 1b85 s PHE 164 CO 0.28 0.24 0.87 -0.40 -0.10 0.00 0.00 175.22 176.12 1b85 n ASP 165 N 2.84 0.99 0.22 1.36 5.68 -1.26 -3.02 116.55 123.36 1b85 n ASP 165 Ca -0.01 -1.88 0.07 0.00 -0.50 0.00 0.00 54.79 52.47 1b85 n ASP 165 Cb 0.50 -0.58 0.50 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.19 0.11 4.11 -1.97 -1.91 114.58 114.73 1b85 h GLU 166 Ca -0.29 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.94 1b85 h GLU 166 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1b85 h GLU 166 CO 0.29 0.25 -0.68 -0.07 0.07 0.00 0.00 179.01 178.88 1b85 h LEU 167 N 0.00 0.84 -1.56 3.06 3.38 -1.94 -3.05 115.31 116.04 1b85 h LEU 167 Ca -0.00 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 1b85 h LEU 167 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1b85 h LEU 167 CO 0.03 1.29 -0.23 -0.33 0.09 0.00 0.00 178.44 179.29 1b85 h GLU 168 N 0.52 0.00 -0.43 1.13 5.08 -1.80 -1.77 114.58 117.32 1b85 h GLU 168 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1b85 h GLU 168 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1b85 h GLU 168 CO 0.14 0.23 0.26 1.25 -1.00 0.00 0.00 179.01 179.89 1b85 h LEU 169 N 0.00 0.52 -0.42 1.33 5.85 -1.26 -1.86 115.31 119.46 1b85 h LEU 169 Ca -0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1b85 h LEU 169 Cb 0.44 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1b85 h LEU 169 CO 0.03 0.41 0.23 0.58 -0.34 0.00 0.00 178.44 179.36 1b85 h VAL 170 N 0.57 1.15 -0.62 1.05 2.07 -1.34 -2.74 116.25 116.40 1b85 h VAL 170 Ca 0.16 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1b85 h VAL 170 Cb -0.01 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 1b85 h VAL 170 CO -0.03 0.16 0.20 -0.26 0.02 0.00 0.00 177.57 177.66 1b85 h PHE 171 N 0.55 0.34 0.00 1.57 0.04 -0.87 -2.68 116.94 115.89 1b85 h PHE 171 Ca 0.15 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 1b85 h PHE 171 Cb 0.05 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 1b85 h PHE 171 CO -0.02 0.05 -0.15 0.00 -0.60 0.00 0.00 178.31 177.58 1b85 h MET 172 N 0.36 0.00 0.00 1.51 -0.00 -1.17 -2.85 114.93 112.78 1b85 h MET 172 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.02 1b85 h MET 172 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 1b85 h MET 172 CO -0.35 0.15 0.00 1.28 -0.00 0.00 0.00 176.91 178.00 1b85 n LEU 173 N -3.22 0.00 0.27 -0.10 4.77 -1.01 -2.70 117.00 115.02 1b85 n LEU 173 Ca 0.01 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1b85 n LEU 173 Cb 0.47 -0.13 0.76 0.00 -2.33 0.00 0.00 43.42 42.18 1b85 n LEU 173 CO 0.33 -0.05 1.05 0.28 -1.33 0.00 0.00 177.39 177.68 1b85 h SER 174 N 0.00 0.00 -0.05 -1.43 0.02 -1.55 -1.06 113.55 109.49 1b85 h SER 174 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1b85 h SER 174 Cb 0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1b85 h SER 174 CO 0.00 0.05 0.07 0.00 -1.14 0.00 0.00 176.83 175.81 1b85 h ALA 175 N 1.95 1.50 0.00 3.77 0.00 -1.77 -0.93 119.26 123.79 1b85 h ALA 175 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b85 h ALA 175 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1b85 h ALA 175 CO 0.01 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.88 1b85 n HIS 176 N -3.65 0.00 0.38 0.00 -0.00 -0.40 -1.63 115.22 109.93 1b85 n HIS 176 Ca -0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.82 1b85 n HIS 176 Cb 0.16 -0.31 0.49 0.00 -0.00 0.00 0.00 29.99 30.33 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 -1.31 0.62 -3.39 0.41 2.88 -0.35 -3.94 113.62 108.54 1b85 n SER 177 Ca 0.05 0.66 -0.26 0.00 -1.33 0.00 0.00 58.87 57.99 1b85 n SER 177 Cb 0.10 -0.79 -0.09 0.00 -0.75 0.00 0.00 64.21 62.68 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 -2.20 -0.09 -3.55 2.46 0.24 -0.64 -4.25 118.33 110.31 1b85 n VAL 178 Ca 0.02 -4.12 -0.13 0.00 -2.04 0.00 0.00 64.34 58.07 1b85 n VAL 178 Cb 0.21 -1.91 -0.05 0.00 -1.47 0.00 0.00 33.84 30.62 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 -1.01 -1.86 0.21 2.33 0.00 -1.25 -4.69 121.76 115.49 1b85 s ALA 179 Ca 0.34 1.42 -0.00 0.00 0.00 0.00 0.00 51.96 53.71 1b85 s ALA 179 Cb 0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1b85 s ALA 179 CO -0.13 -0.38 0.12 0.00 0.00 0.00 0.00 175.76 175.37 1b85 s ALA 180 N -1.41 1.30 -0.19 0.00 0.00 -1.26 -1.79 121.76 118.42 1b85 s ALA 180 Ca -0.04 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.19 1b85 s ALA 180 Cb -0.00 1.31 0.03 0.00 0.00 0.00 0.00 23.12 24.45 1b85 s ALA 180 CO 0.03 -0.56 -0.18 0.08 0.00 0.00 0.00 175.76 175.13 1b85 s VAL 181 N -4.06 2.00 -0.06 0.00 1.01 0.67 -4.87 120.40 115.08 1b85 s VAL 181 Ca 0.39 -1.01 0.18 0.00 0.00 0.00 0.00 61.98 61.53 1b85 s VAL 181 Cb 0.07 -1.87 -0.27 0.00 0.00 0.00 0.00 36.38 34.31 1b85 s VAL 181 CO 0.12 0.43 0.32 0.59 0.00 0.00 0.00 175.10 176.56 1b85 n ASN 182 N 4.61 0.71 -0.00 3.32 3.02 -1.26 -1.19 115.26 124.46 1b85 n ASN 182 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1b85 n ASN 182 Cb 0.49 1.62 0.01 0.00 -0.61 0.00 0.00 39.78 41.28 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 -2.28 1.95 -0.03 6.41 8.00 -1.26 -4.56 116.55 124.78 1b85 n ASP 183 Ca -0.10 -2.01 -0.22 0.00 0.71 0.00 0.00 54.79 53.17 1b85 n ASP 183 Cb 0.64 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.59 1b85 n ASP 183 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1b85 n VAL 184 N -0.52 1.72 -3.54 2.53 0.31 -1.26 -4.74 118.33 112.83 1b85 n VAL 184 Ca 0.01 -0.52 -0.40 0.00 -0.01 0.00 0.00 64.34 63.41 1b85 n VAL 184 Cb 0.27 -1.79 -0.11 0.00 -0.91 0.00 0.00 33.84 31.31 1b85 n VAL 184 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b85 s ASP 185 N -6.99 6.00 0.00 4.52 -1.08 -1.26 -4.71 116.67 113.14 1b85 s ASP 185 Ca -0.25 -0.50 0.18 0.00 -0.52 0.00 0.00 52.55 51.47 1b85 s ASP 185 Cb 0.07 -2.12 0.89 0.00 -1.46 0.00 0.00 42.92 40.29 1b85 s ASP 185 CO 0.72 -0.26 1.56 -0.81 0.52 0.00 0.00 175.17 176.91 1b85 n PRO 186 N 5.10 0.19 0.01 4.34 -0.04 -1.26 -2.73 135.00 140.60 1b85 n PRO 186 Ca -0.13 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1b85 n PRO 186 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.34 0.06 -3.70 0.52 -2.24 -1.26 -4.93 114.28 101.39 1b85 n THR 187 Ca 0.08 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1b85 n THR 187 Cb 0.16 0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.13 -0.00 0.05 2.28 0.11 -1.11 -5.05 120.40 113.55 1b85 s VAL 188 Ca 0.05 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.15 1b85 s VAL 188 Cb 0.15 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 1b85 s VAL 188 CO 0.82 0.01 0.04 -1.10 -3.33 0.00 0.00 175.10 171.54 1b85 s GLN 189 N 0.56 2.78 0.00 1.54 -0.21 -1.26 -4.58 119.66 118.49 1b85 s GLN 189 Ca -0.02 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.67 1b85 s GLN 189 Cb -0.04 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.29 1b85 s GLN 189 CO -0.03 0.58 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 1b85 n GLY 190 N 0.81 0.83 3.66 3.09 0.00 -0.33 -4.62 105.19 108.62 1b85 n GLY 190 Ca -0.11 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 4.10 0.61 0.99 1.43 -0.86 -0.65 118.68 124.31 1b85 s LEU 191 Ca 0.00 1.43 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 1b85 s LEU 191 Cb 0.00 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1b85 s LEU 191 CO 0.00 -0.74 1.07 -2.84 0.23 0.00 0.00 176.35 174.08 1b85 s PRO 192 N 3.37 3.15 0.31 1.29 0.02 -1.25 -0.24 135.00 141.66 1b85 s PRO 192 Ca 0.48 1.26 0.19 0.00 0.02 0.00 0.00 61.00 62.95 1b85 s PRO 192 Cb -0.17 -2.01 0.14 0.00 0.02 0.00 0.00 34.50 32.49 1b85 s PRO 192 CO 0.10 -0.95 1.41 0.74 -0.33 0.00 0.00 177.00 177.97 1b85 h PHE 193 N 0.31 0.00 -4.44 6.54 0.04 -1.57 -1.97 116.94 115.84 1b85 h PHE 193 Ca -0.47 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.06 1b85 h PHE 193 Cb 1.23 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.23 1b85 h PHE 193 CO 0.57 0.28 -0.63 0.16 -0.60 0.00 0.00 178.31 178.10 1b85 s ASP 194 N -6.21 0.33 0.00 2.17 1.47 -1.26 -4.80 116.67 108.37 1b85 s ASP 194 Ca 0.04 -1.35 0.21 0.00 1.18 0.00 0.00 52.55 52.63 1b85 s ASP 194 Cb 0.07 0.33 1.19 0.00 -0.34 0.00 0.00 42.92 44.17 1b85 s ASP 194 CO 0.73 -0.80 1.66 -1.54 0.68 0.00 0.00 175.17 175.90 1b85 n SER 195 N -0.26 0.00 -3.21 2.11 3.41 -1.26 -3.96 113.62 110.45 1b85 n SER 195 Ca 0.00 -0.42 -0.25 0.00 -0.26 0.00 0.00 58.87 57.95 1b85 n SER 195 Cb 0.66 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.11 1.35 0.86 6.66 -2.24 -1.26 -4.95 114.28 113.59 1b85 n THR 196 Ca 0.14 -4.91 0.09 0.00 -2.27 0.00 0.00 64.05 57.10 1b85 n THR 196 Cb 0.11 -1.57 0.45 0.00 -2.10 0.00 0.00 70.33 67.22 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 0.62 0.29 -0.08 -0.78 -0.04 -1.25 -1.47 135.00 132.29 1b85 n PRO 197 Ca 0.27 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 1b85 n PRO 197 Cb 0.48 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.17 1.12 3.08 0.55 0.00 -1.26 -3.93 105.19 104.92 1b85 n GLY 198 Ca 0.09 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.58 1.47 -0.76 -0.61 1.01 -0.54 -3.85 121.20 116.34 1b85 s ILE 199 Ca 0.29 -0.65 -0.25 0.00 0.00 0.00 0.00 60.65 60.04 1b85 s ILE 199 Cb 0.19 -1.32 0.05 0.00 0.01 0.00 0.00 42.46 41.38 1b85 s ILE 199 CO 0.27 0.43 1.21 0.12 0.00 0.00 0.00 174.94 176.98 1b85 s PHE 200 N 0.74 2.45 0.05 3.97 5.36 -0.32 -4.64 117.98 125.59 1b85 s PHE 200 Ca -0.12 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.51 1b85 s PHE 200 Cb -0.16 -4.54 -0.00 0.00 -0.34 0.00 0.00 43.02 37.99 1b85 s PHE 200 CO 0.02 -1.92 0.06 -0.40 -1.46 0.00 0.00 175.22 171.52 1b85 n ASP 201 N 8.76 -0.18 -1.89 6.13 5.68 -1.26 -4.40 116.55 129.38 1b85 n ASP 201 Ca 0.06 -1.30 0.03 0.00 -0.50 0.00 0.00 54.79 53.08 1b85 n ASP 201 Cb 0.48 0.35 0.37 0.00 -1.14 0.00 0.00 41.12 41.18 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 -2.29 5.39 0.20 -1.12 7.64 -1.26 -4.43 113.62 117.75 1b85 n SER 202 Ca 0.00 -3.04 0.05 0.00 1.01 0.00 0.00 58.87 56.89 1b85 n SER 202 Cb 0.09 -0.70 0.42 0.00 -1.01 0.00 0.00 64.21 63.01 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 3.49 0.00 -0.56 1.43 1.08 -1.93 -1.28 115.11 117.34 1b85 h GLN 203 Ca 0.09 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.35 1b85 h GLN 203 Cb 2.08 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.46 1b85 h GLN 203 CO 0.56 0.33 0.27 0.35 -0.95 0.00 0.00 178.83 179.39 1b85 h PHE 204 N 0.00 0.48 -0.03 2.96 3.57 -1.88 0.27 116.94 122.31 1b85 h PHE 204 Ca -0.00 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 1b85 h PHE 204 Cb 0.65 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1b85 h PHE 204 CO 0.00 0.21 -0.58 0.74 -2.23 0.00 0.00 178.31 176.45 1b85 h PHE 205 N 0.51 0.13 0.12 0.41 0.04 -1.59 -2.52 116.94 114.04 1b85 h PHE 205 Ca 0.26 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 1b85 h PHE 205 Cb 0.21 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1b85 h PHE 205 CO -0.12 0.66 -0.06 0.28 -0.60 0.00 0.00 178.31 178.47 1b85 h VAL 206 N 0.08 1.06 0.00 -0.55 2.07 -0.93 -3.28 116.25 114.71 1b85 h VAL 206 Ca -0.00 -1.02 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 1b85 h VAL 206 Cb 1.05 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1b85 h VAL 206 CO 0.08 0.23 -0.44 -0.33 0.02 0.00 0.00 177.57 177.13 1b85 h GLU 207 N -0.67 0.00 0.00 1.57 5.08 -0.51 -2.36 114.58 117.70 1b85 h GLU 207 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1b85 h GLU 207 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1b85 h GLU 207 CO 0.03 0.44 0.00 1.79 -1.00 0.00 0.00 179.01 180.27 1b85 h THR 208 N 0.00 0.00 -0.00 1.13 1.35 -1.60 -2.87 112.91 110.91 1b85 h THR 208 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1b85 h THR 208 Cb 1.00 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1b85 h THR 208 CO 0.06 0.00 -0.34 1.67 -0.25 0.00 0.00 175.52 176.66 1b85 n GLN 209 N -2.62 0.49 -1.84 4.72 -0.06 -0.89 -4.89 117.38 112.30 1b85 n GLN 209 Ca 0.02 -0.28 -0.31 0.00 -2.00 0.00 0.00 57.00 54.44 1b85 n GLN 209 Cb 0.33 -1.49 0.03 0.00 -4.06 0.00 0.00 30.24 25.04 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 -2.70 3.08 0.19 1.69 1.43 -1.09 -0.73 118.68 120.55 1b85 s LEU 210 Ca 0.19 1.33 -0.31 0.00 -1.03 0.00 0.00 54.13 54.31 1b85 s LEU 210 Cb 0.19 -4.26 -0.10 0.00 0.03 0.00 0.00 46.19 42.05 1b85 s LEU 210 CO 0.59 -1.13 1.50 -0.60 0.23 0.00 0.00 176.35 176.94 1b85 s ARG 211 N -5.23 4.24 -0.08 1.70 3.52 0.70 -4.75 118.95 119.05 1b85 s ARG 211 Ca 0.57 2.31 -0.29 0.00 -0.13 0.00 0.00 55.73 58.19 1b85 s ARG 211 Cb -0.11 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1b85 s ARG 211 CO 0.53 -0.52 0.98 0.20 -0.81 0.00 0.00 175.30 175.68 1b85 s GLY 212 N 0.85 2.48 0.00 8.12 0.00 -1.26 -4.15 107.32 113.36 1b85 s GLY 212 Ca 0.65 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1b85 s GLY 212 CO 0.36 1.82 0.00 -1.30 0.00 0.00 0.00 173.10 173.98 1b85 n THR 213 N 4.38 0.00 -3.50 0.90 -2.24 0.06 -4.82 114.28 109.05 1b85 n THR 213 Ca 0.07 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1b85 n THR 213 Cb 0.49 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.47 -1.49 0.05 6.98 0.00 -0.89 -4.95 121.76 119.99 1b85 s ALA 214 Ca 0.00 0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.11 1b85 s ALA 214 Cb 0.00 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.93 1b85 s ALA 214 CO 0.00 -0.80 0.53 -0.06 0.00 0.00 0.00 175.76 175.42 1b85 s PHE 215 N -3.78 3.79 0.23 0.00 0.08 -1.26 -1.10 117.98 115.93 1b85 s PHE 215 Ca 0.03 1.20 0.13 0.00 0.12 0.00 0.00 56.93 58.40 1b85 s PHE 215 Cb -0.02 -2.44 0.41 0.00 -0.57 0.00 0.00 43.02 40.40 1b85 s PHE 215 CO -0.10 0.60 1.62 -1.00 -0.10 0.00 0.00 175.22 176.25 1b85 h PRO 216 N 4.57 0.00 0.00 0.24 0.13 -1.88 -3.46 132.00 131.61 1b85 h PRO 216 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1b85 h PRO 216 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1b85 h PRO 216 CO 0.63 0.57 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 1b85 n GLY 217 N 0.32 2.13 3.88 1.56 0.00 -1.26 -4.59 105.19 107.22 1b85 n GLY 217 Ca -0.01 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 6.52 0.44 1.61 1.04 -1.26 -5.06 113.70 117.98 1b85 s SER 218 Ca 0.00 1.13 -0.04 0.00 0.48 0.00 0.00 55.95 57.52 1b85 s SER 218 Cb 0.00 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 1b85 s SER 218 CO 0.00 -0.40 0.72 -0.83 0.98 0.00 0.00 173.24 173.71 1b85 s GLY 219 N -3.18 1.47 -1.38 7.32 0.00 -1.26 -4.64 107.32 105.66 1b85 s GLY 219 Ca 0.51 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1b85 s GLY 219 CO 0.32 -0.46 0.00 0.61 0.00 0.00 0.00 173.10 173.56 1b85 n GLY 220 N -2.11 0.85 3.79 0.20 0.00 -1.26 -5.01 105.19 101.65 1b85 n GLY 220 Ca -0.01 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.68 6.07 0.18 1.61 0.01 -1.26 -4.94 114.94 113.93 1b85 s ASN 221 Ca 0.00 2.01 -0.32 0.00 -0.71 0.00 0.00 52.86 53.85 1b85 s ASN 221 Cb 0.00 -2.57 -0.11 0.00 0.41 0.00 0.00 41.25 38.99 1b85 s ASN 221 CO 0.00 -0.97 1.60 -1.58 -1.51 0.00 0.00 177.10 174.64 1b85 s GLN 222 N -3.30 4.19 0.00 -0.60 0.74 -1.26 -2.09 119.66 117.34 1b85 s GLN 222 Ca 0.69 2.42 0.00 0.00 0.05 0.00 0.00 55.36 58.52 1b85 s GLN 222 Cb -0.19 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.79 1b85 s GLN 222 CO 0.24 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 174.74 1b85 n GLY 223 N 3.79 0.84 3.54 2.59 0.00 -1.26 -4.93 105.19 109.76 1b85 n GLY 223 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.08 2.50 0.40 1.61 2.12 -0.89 -0.63 118.70 123.73 1b85 s GLU 224 Ca 0.00 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.64 1b85 s GLU 224 Cb 0.00 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 1b85 s GLU 224 CO 0.00 0.61 0.08 0.14 -0.54 0.00 0.00 175.26 175.55 1b85 s VAL 225 N -0.87 0.93 0.60 3.70 -7.23 -0.69 -4.70 120.40 112.13 1b85 s VAL 225 Ca 0.14 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.14 1b85 s VAL 225 Cb -0.11 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 1b85 s VAL 225 CO 0.04 0.00 1.14 -1.61 -0.31 0.00 0.00 175.10 174.36 1b85 s GLU 226 N -3.79 3.04 0.37 4.82 2.02 -1.26 -4.23 118.70 119.67 1b85 s GLU 226 Ca 0.25 1.58 0.08 0.00 0.02 0.00 0.00 54.97 56.90 1b85 s GLU 226 Cb 0.04 -1.97 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 1b85 s GLU 226 CO 0.13 -1.09 0.09 -1.54 0.02 0.00 0.00 175.26 172.87 1b85 s SER 227 N -2.02 4.32 0.00 -0.19 1.04 -0.26 -4.48 113.70 112.12 1b85 s SER 227 Ca 0.72 -1.01 0.25 0.00 0.48 0.00 0.00 55.95 56.39 1b85 s SER 227 Cb -0.24 -0.54 0.53 0.00 0.10 0.00 0.00 66.02 65.87 1b85 s SER 227 CO 0.34 -0.37 1.42 -0.81 0.98 0.00 0.00 173.24 174.80 1b85 n PRO 228 N -1.08 0.74 -3.89 4.02 -0.04 -1.26 -0.76 135.00 132.73 1b85 n PRO 228 Ca -0.03 -0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 62.83 1b85 n PRO 228 Cb 0.63 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.60 1.86 0.37 1.53 1.43 -1.26 -4.82 118.68 115.19 1b85 s LEU 229 Ca 0.20 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.93 1b85 s LEU 229 Cb 0.19 0.25 -0.11 0.00 0.03 0.00 0.00 46.19 46.54 1b85 s LEU 229 CO 0.57 -0.15 1.47 -2.65 0.23 0.00 0.00 176.35 175.82 1b85 n PRO 230 N 2.42 2.60 0.00 1.29 -0.02 -1.26 -2.21 135.00 137.82 1b85 n PRO 230 Ca -0.17 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1b85 n PRO 230 Cb 0.58 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1b85 n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b85 n GLY 231 N 0.60 2.80 3.87 -1.23 0.00 -1.26 -1.42 105.19 108.54 1b85 n GLY 231 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.30 3.59 0.15 1.61 2.12 -0.94 -3.89 118.70 121.03 1b85 s GLU 232 Ca 0.00 0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.41 1b85 s GLU 232 Cb 0.00 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1b85 s GLU 232 CO 0.00 0.75 0.12 -1.50 -0.54 0.00 0.00 175.26 174.09 1b85 s ILE 233 N -1.06 4.49 -0.03 -3.70 2.07 -0.74 -4.45 121.20 117.77 1b85 s ILE 233 Ca 0.18 -1.02 0.01 0.00 -1.41 0.00 0.00 60.65 58.42 1b85 s ILE 233 Cb -0.13 -3.26 0.01 0.00 0.13 0.00 0.00 42.46 39.21 1b85 s ILE 233 CO 0.08 -0.06 -0.05 -0.60 -1.91 0.00 0.00 174.94 172.40 1b85 s ARG 234 N -2.95 0.69 0.25 3.50 3.52 -1.26 -4.48 118.95 118.23 1b85 s ARG 234 Ca 0.31 -0.14 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 1b85 s ARG 234 Cb -0.10 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.55 1b85 s ARG 234 CO 0.23 -0.01 0.43 0.96 -0.81 0.00 0.00 175.30 176.10 1b85 s ILE 235 N 0.55 5.19 0.19 4.11 -4.36 -1.26 -1.71 121.20 123.91 1b85 s ILE 235 Ca -0.07 -0.56 -0.12 0.00 -0.26 0.00 0.00 60.65 59.63 1b85 s ILE 235 Cb -0.11 -3.81 0.10 0.00 1.25 0.00 0.00 42.46 39.90 1b85 s ILE 235 CO -0.00 -0.33 1.83 -0.61 0.24 0.00 0.00 174.94 176.07 1b85 h GLN 236 N 1.41 0.86 -0.54 0.37 4.15 -0.97 -2.29 115.11 118.10 1b85 h GLN 236 Ca -0.50 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 58.82 1b85 h GLN 236 Cb 1.21 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 1b85 h GLN 236 CO 0.64 0.61 0.23 0.66 -1.93 0.00 0.00 178.83 179.05 1b85 h SER 237 N 0.86 0.74 -0.34 -0.69 4.64 -1.50 -0.85 113.55 116.42 1b85 h SER 237 Ca 0.23 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1b85 h SER 237 Cb -0.03 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1b85 h SER 237 CO -0.04 0.69 0.10 0.44 -0.87 0.00 0.00 176.83 177.14 1b85 h ASP 238 N 0.74 0.50 -0.52 4.97 3.32 -1.84 -0.35 116.42 123.23 1b85 h ASP 238 Ca 0.18 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.08 1b85 h ASP 238 Cb 0.17 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 1b85 h ASP 238 CO -0.02 0.58 0.24 -0.74 -1.72 0.00 0.00 179.24 177.58 1b85 h HIS 239 N 0.40 0.43 0.00 4.55 2.76 -1.19 -2.20 115.15 119.90 1b85 h HIS 239 Ca 0.11 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.12 1b85 h HIS 239 Cb 0.26 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1b85 h HIS 239 CO 0.01 0.18 -0.85 1.79 -1.30 0.00 0.00 177.93 177.77 1b85 h THR 240 N 0.46 1.55 -0.34 6.26 1.35 -0.81 -3.16 112.91 118.21 1b85 h THR 240 Ca 0.24 -2.73 -0.08 0.00 -0.55 0.00 0.00 66.41 63.29 1b85 h THR 240 Cb 0.20 2.50 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 1b85 h THR 240 CO -0.20 0.79 -0.11 0.40 -0.25 0.00 0.00 175.52 176.14 1b85 h ILE 241 N 0.04 1.24 0.00 6.82 2.04 -0.95 -0.39 117.51 126.32 1b85 h ILE 241 Ca -0.02 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1b85 h ILE 241 Cb 1.48 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1b85 h ILE 241 CO 0.12 0.35 -0.04 0.00 0.00 0.00 0.00 178.15 178.58 1b85 h ALA 242 N 1.33 1.01 -0.00 1.87 0.00 -1.37 -3.15 119.26 118.95 1b85 h ALA 242 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1b85 h ALA 242 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1b85 h ALA 242 CO 0.03 0.05 -0.23 0.54 0.00 0.00 0.00 179.25 179.64 1b85 n ARG 243 N -3.15 2.64 -2.24 0.00 1.74 -0.74 -4.44 116.66 110.48 1b85 n ARG 243 Ca 0.01 -0.43 -0.41 0.00 -0.77 0.00 0.00 57.85 56.24 1b85 n ARG 243 Cb 0.33 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.36 6.94 0.57 0.55 -1.08 -0.23 -4.83 116.67 117.22 1b85 s ASP 244 Ca 0.06 2.54 0.32 0.00 -0.52 0.00 0.00 52.55 54.95 1b85 s ASP 244 Cb 0.07 -2.64 1.73 0.00 -1.46 0.00 0.00 42.92 40.62 1b85 s ASP 244 CO 0.24 -0.41 2.17 0.77 0.52 0.00 0.00 175.17 178.47 1b85 h SER 245 N 3.63 0.00 -0.01 -0.34 4.64 -1.91 0.98 113.55 120.55 1b85 h SER 245 Ca -0.48 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.65 1b85 h SER 245 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1b85 h SER 245 CO 0.67 0.06 -0.67 0.03 -0.87 0.00 0.00 176.83 176.05 1b85 h ARG 246 N 0.00 0.63 -0.00 4.77 3.08 -1.94 -3.37 114.38 117.56 1b85 h ARG 246 Ca -0.00 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1b85 h ARG 246 Cb 0.21 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1b85 h ARG 246 CO 0.01 1.08 -0.30 0.25 -1.07 0.00 0.00 179.97 179.94 1b85 n THR 247 N -3.93 0.00 -0.30 2.04 -2.24 -0.76 -4.75 114.28 104.35 1b85 n THR 247 Ca -0.05 -0.35 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 1b85 n THR 247 Cb 0.68 1.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.98 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 0.94 1.07 -0.08 6.98 0.00 -0.96 -1.08 119.26 126.13 1b85 h ALA 248 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1b85 h ALA 248 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1b85 h ALA 248 CO 0.00 0.62 -0.42 0.00 0.00 0.00 0.00 179.25 179.45 1b85 h GLU 250 N 0.14 0.60 -0.70 0.00 4.57 -1.75 -1.62 114.58 115.83 1b85 h GLU 250 Ca 0.01 -0.41 -0.01 0.00 -1.18 0.00 0.00 59.36 57.77 1b85 h GLU 250 Cb 0.81 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 1b85 h GLU 250 CO 0.06 1.02 0.39 2.35 -1.18 0.00 0.00 179.01 181.66 1b85 h TRP 251 N 0.45 0.95 0.00 0.92 2.91 -1.03 -2.55 115.95 117.59 1b85 h TRP 251 Ca -0.00 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.95 1b85 h TRP 251 Cb 1.17 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 29.50 1b85 h TRP 251 CO 0.05 0.67 -0.24 0.37 -1.03 0.00 0.00 178.44 178.26 1b85 h GLN 252 N 0.96 0.00 0.00 2.65 4.15 -1.16 -3.18 115.11 118.53 1b85 h GLN 252 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1b85 h GLN 252 Cb 0.02 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1b85 h GLN 252 CO -0.04 0.24 -0.03 0.66 -1.93 0.00 0.00 178.83 177.73 1b85 h SER 253 N 0.00 0.00 1.57 -0.69 4.64 -0.85 -1.53 113.55 116.69 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 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1b85 h SER 253 CO 0.03 0.03 0.00 -0.26 -0.87 0.00 0.00 176.83 175.76 1b85 h PHE 254 N 0.00 0.00 -2.63 4.77 0.04 -1.65 -3.41 116.94 114.06 1b85 h PHE 254 Ca -0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 1b85 h PHE 254 Cb 0.10 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.27 1b85 h PHE 254 CO 0.00 0.00 1.04 0.08 -0.60 0.00 0.00 178.31 178.83 1b85 s VAL 255 N -3.14 3.04 -1.77 -0.55 1.01 -0.58 -2.04 120.40 116.38 1b85 s VAL 255 Ca 0.10 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1b85 s VAL 255 Cb 0.11 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1b85 s VAL 255 CO 0.61 -0.01 0.00 -3.20 0.00 0.00 0.00 175.10 172.50 1b85 n ASN 256 N 5.96 -5.83 -3.40 3.32 5.15 -1.26 -4.92 115.26 114.28 1b85 n ASN 256 Ca 0.17 -0.01 -0.27 0.00 -0.60 0.00 0.00 54.58 53.87 1b85 n ASN 256 Cb 0.41 -4.85 -0.10 0.00 -0.53 0.00 0.00 39.78 34.70 1b85 n ASN 256 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1b85 n ASN 257 N -1.91 -0.34 -0.19 1.20 2.85 -0.87 -4.98 115.26 111.03 1b85 n ASN 257 Ca -0.24 -2.42 -0.09 0.00 -0.11 0.00 0.00 54.58 51.72 1b85 n ASN 257 Cb 0.69 -0.56 0.01 0.00 1.24 0.00 0.00 39.78 41.16 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 5.53 0.91 -0.50 1.20 4.15 -1.92 -2.23 115.11 122.26 1b85 h GLN 258 Ca 0.25 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1b85 h GLN 258 Cb 0.90 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 1b85 h GLN 258 CO 0.39 0.89 0.14 0.66 -1.93 0.00 0.00 178.83 178.98 1b85 h SER 259 N 0.79 0.68 -0.35 -0.69 4.64 -1.96 -0.60 113.55 116.07 1b85 h SER 259 Ca 0.16 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 1b85 h SER 259 Cb 0.43 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1b85 h SER 259 CO 0.01 0.66 -0.29 0.50 -0.87 0.00 0.00 176.83 176.84 1b85 h LYS 260 N 0.72 0.81 0.03 4.77 3.64 -1.91 -0.97 116.57 123.66 1b85 h LYS 260 Ca 0.17 -0.41 0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1b85 h LYS 260 Cb 0.23 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1b85 h LYS 260 CO -0.01 1.04 -0.14 1.25 -2.27 0.00 0.00 179.45 179.32 1b85 h LEU 261 N 0.60 -0.41 -0.39 5.20 5.85 -1.03 -0.24 115.31 124.90 1b85 h LEU 261 Ca 0.06 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1b85 h LEU 261 Cb 0.87 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1b85 h LEU 261 CO 0.08 -0.20 0.05 0.58 -0.34 0.00 0.00 178.44 178.60 1b85 h VAL 262 N -0.25 1.25 -0.43 1.05 2.07 -1.05 -0.99 116.25 117.89 1b85 h VAL 262 Ca 0.04 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 1b85 h VAL 262 Cb 0.30 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1b85 h VAL 262 CO -0.12 0.30 -0.01 0.44 0.02 0.00 0.00 177.57 178.20 1b85 h ASP 263 N 0.50 0.75 -0.50 0.57 3.32 -1.10 -0.38 116.42 119.58 1b85 h ASP 263 Ca 0.12 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.72 1b85 h ASP 263 Cb 0.39 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1b85 h ASP 263 CO 0.01 0.89 -0.18 0.44 -1.72 0.00 0.00 179.24 178.68 1b85 h ASP 264 N 0.60 1.02 0.12 6.45 3.32 -1.02 -2.59 116.42 124.31 1b85 h ASP 264 Ca 0.12 -0.38 -0.19 0.00 0.02 0.00 0.00 57.03 56.59 1b85 h ASP 264 Cb 0.51 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1b85 h ASP 264 CO 0.02 1.17 -0.73 0.15 -1.72 0.00 0.00 179.24 178.14 1b85 h PHE 265 N 0.86 0.72 -0.39 4.55 3.57 -1.03 -2.05 116.94 123.17 1b85 h PHE 265 Ca 0.12 -0.31 0.07 0.00 3.53 0.00 0.00 57.97 61.38 1b85 h PHE 265 Cb 0.76 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1b85 h PHE 265 CO 0.05 1.09 -0.01 0.37 -2.23 0.00 0.00 178.31 177.58 1b85 h GLN 266 N 0.37 0.08 0.23 1.11 4.15 -1.01 0.25 115.11 120.28 1b85 h GLN 266 Ca -0.03 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1b85 h GLN 266 Cb 1.32 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.99 1b85 h GLN 266 CO 0.13 0.06 -0.12 0.35 -1.93 0.00 0.00 178.83 177.32 1b85 h PHE 267 N 0.09 -0.32 0.00 3.99 3.57 -1.40 -2.76 116.94 120.12 1b85 h PHE 267 Ca 0.19 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 1b85 h PHE 267 Cb 0.27 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1b85 h PHE 267 CO -0.28 -0.20 -0.63 0.97 -2.23 0.00 0.00 178.31 175.95 1b85 h ILE 268 N -0.33 1.36 -0.20 1.41 6.09 -1.08 -2.34 117.51 122.42 1b85 h ILE 268 Ca -0.03 -2.23 -0.04 0.00 -1.37 0.00 0.00 64.86 61.19 1b85 h ILE 268 Cb 0.26 2.23 -0.01 0.00 0.47 0.00 0.00 36.82 39.78 1b85 h ILE 268 CO 0.04 0.62 -0.02 0.15 -3.07 0.00 0.00 178.15 175.86 1b85 h PHE 269 N 0.00 0.41 -0.30 2.19 3.57 -0.96 -0.61 116.94 121.25 1b85 h PHE 269 Ca -0.01 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.45 1b85 h PHE 269 Cb 1.18 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1b85 h PHE 269 CO 0.00 0.59 0.08 1.25 -2.23 0.00 0.00 178.31 178.00 1b85 h LEU 270 N 0.12 0.06 -1.03 0.59 5.85 -1.39 -2.21 115.31 117.30 1b85 h LEU 270 Ca 0.05 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1b85 h LEU 270 Cb 0.44 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1b85 h LEU 270 CO 0.01 0.07 0.64 0.00 -0.34 0.00 0.00 178.44 178.83 1b85 h ALA 271 N 1.20 1.42 -0.78 1.25 0.00 -1.06 -2.25 119.26 119.03 1b85 h ALA 271 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1b85 h ALA 271 Cb 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1b85 h ALA 271 CO -0.16 0.44 0.36 -0.07 0.00 0.00 0.00 179.25 179.82 1b85 h LEU 272 N 1.16 1.03 -0.17 0.00 3.38 -0.54 -2.34 115.31 117.85 1b85 h LEU 272 Ca 0.43 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1b85 h LEU 272 Cb 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1b85 h LEU 272 CO -0.17 0.89 0.00 0.35 0.09 0.00 0.00 178.44 179.60 1b85 n THR 273 N -4.35 0.79 0.35 0.22 -2.24 -0.88 -2.31 114.28 105.86 1b85 n THR 273 Ca 0.07 0.17 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 1b85 n THR 273 Cb 0.15 -0.94 0.19 0.00 -2.10 0.00 0.00 70.33 67.63 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 -1.73 2.37 -1.83 -0.78 6.02 -0.89 -4.78 117.38 115.77 1b85 n GLN 274 Ca 0.04 -2.17 -0.42 0.00 -0.01 0.00 0.00 57.00 54.44 1b85 n GLN 274 Cb 0.23 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.46 4.37 0.00 1.08 1.43 -0.98 -1.56 118.68 121.56 1b85 s LEU 275 Ca 0.35 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 56.23 1b85 s LEU 275 Cb 0.21 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1b85 s LEU 275 CO 0.29 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1b85 n GLY 276 N 3.37 0.99 3.63 -3.19 0.00 -1.26 0.12 105.19 108.85 1b85 n GLY 276 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.19 2.08 -0.33 1.61 -1.52 -0.60 -4.91 119.66 115.80 1b85 s GLN 277 Ca 0.00 -1.74 -0.10 0.00 -1.95 0.00 0.00 55.36 51.57 1b85 s GLN 277 Cb 0.00 -1.93 0.01 0.00 -0.22 0.00 0.00 33.01 30.87 1b85 s GLN 277 CO 0.00 0.14 0.16 0.34 -0.25 0.00 0.00 175.29 175.68 1b85 s ASP 278 N -3.72 5.56 0.37 5.90 2.15 -1.26 -4.99 116.67 120.69 1b85 s ASP 278 Ca 0.35 -0.75 0.09 0.00 0.43 0.00 0.00 52.55 52.66 1b85 s ASP 278 Cb -0.00 -1.99 0.83 0.00 -0.30 0.00 0.00 42.92 41.46 1b85 s ASP 278 CO 0.19 -0.27 1.92 -0.65 -0.17 0.00 0.00 175.17 176.19 1b85 h PRO 279 N 8.37 0.65 0.00 4.34 0.11 -1.97 -0.32 132.00 143.17 1b85 h PRO 279 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1b85 h PRO 279 Cb 1.12 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1b85 h PRO 279 CO 0.63 0.43 0.00 0.09 -0.21 0.00 0.00 178.00 178.94 1b85 n ASN 280 N -4.51 0.00 -0.86 -2.05 3.02 -1.26 -2.42 115.26 107.18 1b85 n ASN 280 Ca 0.14 0.46 0.12 0.00 -0.03 0.00 0.00 54.58 55.26 1b85 n ASN 280 Cb 0.38 -0.48 0.28 0.00 -0.61 0.00 0.00 39.78 39.34 1b85 n ASN 280 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b85 n ALA 281 N -1.48 2.47 -2.92 5.41 0.00 -0.13 -4.94 120.51 118.92 1b85 n ALA 281 Ca 0.06 -0.74 -0.21 0.00 0.00 0.00 0.00 53.44 52.55 1b85 n ALA 281 Cb 0.28 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.71 3.25 -0.13 0.00 -1.94 -1.02 -4.91 119.30 112.84 1b85 s MET 282 Ca 0.35 -0.86 -0.03 0.00 -1.71 0.00 0.00 55.69 53.43 1b85 s MET 282 Cb 0.20 -2.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 1b85 s MET 282 CO 0.30 0.42 -0.02 0.99 -0.01 0.00 0.00 175.02 176.70 1b85 s THR 283 N -2.03 4.10 -0.53 2.05 2.01 -0.62 -4.90 115.64 115.72 1b85 s THR 283 Ca 0.34 -0.30 -0.27 0.00 0.31 0.00 0.00 61.69 61.77 1b85 s THR 283 Cb -0.09 -2.77 0.03 0.00 0.01 0.00 0.00 72.50 69.69 1b85 s THR 283 CO 0.27 0.54 1.07 -0.62 -0.69 0.00 0.00 174.62 175.19 1b85 s ASP 284 N -0.15 6.47 -0.31 3.53 -1.08 -1.26 -0.54 116.67 123.34 1b85 s ASP 284 Ca 0.04 0.08 0.08 0.00 -0.52 0.00 0.00 52.55 52.23 1b85 s ASP 284 Cb -0.13 -2.51 0.51 0.00 -1.46 0.00 0.00 42.92 39.34 1b85 s ASP 284 CO 0.02 -1.29 1.49 0.00 0.52 0.00 0.00 175.17 175.91 1b85 h SER 286 N 1.07 0.00 0.42 0.00 0.02 -1.70 -1.77 113.55 111.59 1b85 h SER 286 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1b85 h SER 286 Cb 1.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1b85 h SER 286 CO 0.46 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.62 1b85 n ASP 287 N -3.98 0.35 0.12 3.07 8.00 -1.26 -1.78 116.55 121.07 1b85 n ASP 287 Ca -0.02 0.61 -0.01 0.00 0.71 0.00 0.00 54.79 56.08 1b85 n ASP 287 Cb 0.12 -0.67 0.08 0.00 -0.02 0.00 0.00 41.12 40.63 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 1.30 -3.29 2.53 2.07 -1.68 -3.45 116.25 113.72 1b85 h VAL 288 Ca 0.00 -2.45 -0.53 0.00 0.82 0.00 0.00 66.70 64.54 1b85 h VAL 288 Cb 0.21 2.39 0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1b85 h VAL 288 CO 0.00 0.66 0.68 -0.63 0.02 0.00 0.00 177.57 178.30 1b85 s ILE 289 N -3.17 3.18 0.70 4.57 -1.09 -0.73 -4.97 121.20 119.69 1b85 s ILE 289 Ca 0.01 0.94 -0.16 0.00 -2.23 0.00 0.00 60.65 59.21 1b85 s ILE 289 Cb 0.10 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1b85 s ILE 289 CO 0.76 0.12 1.25 -2.84 -1.23 0.00 0.00 174.94 173.01 1b85 s PRO 290 N 0.16 2.24 0.26 2.79 0.02 -1.26 -4.95 135.00 134.27 1b85 s PRO 290 Ca 0.59 1.91 -0.30 0.00 0.02 0.00 0.00 61.00 63.23 1b85 s PRO 290 Cb -0.37 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.23 1b85 s PRO 290 CO 0.37 -1.79 1.32 -0.65 -0.33 0.00 0.00 177.00 175.91 1b85 s GLN 291 N -3.68 4.37 0.65 5.54 -0.21 -1.26 -4.74 119.66 120.33 1b85 s GLN 291 Ca 0.78 2.14 -0.13 0.00 0.02 0.00 0.00 55.36 58.17 1b85 s GLN 291 Cb -0.33 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.54 1b85 s GLN 291 CO 0.43 -0.22 1.07 -1.12 -2.12 0.00 0.00 175.29 173.32 1b85 s SER 292 N -0.06 5.46 0.20 5.90 0.01 -1.26 -4.98 113.70 118.97 1b85 s SER 292 Ca 0.53 1.76 0.06 0.00 1.31 0.00 0.00 55.95 59.61 1b85 s SER 292 Cb -0.38 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.29 1b85 s SER 292 CO 0.45 -1.39 0.15 -1.59 0.41 0.00 0.00 173.24 171.28 1b85 s LYS 293 N -4.50 2.88 0.70 12.44 -2.85 -1.26 -4.98 119.74 122.18 1b85 s LYS 293 Ca 0.62 -0.96 -0.11 0.00 -1.00 0.00 0.00 55.97 54.52 1b85 s LYS 293 Cb -0.16 -2.60 0.01 0.00 -2.06 0.00 0.00 37.83 33.03 1b85 s LYS 293 CO 0.45 0.45 1.07 -1.25 0.10 0.00 0.00 175.35 176.18 1b85 s PRO 294 N -3.40 2.89 0.08 1.78 0.05 -1.26 -0.27 135.00 134.87 1b85 s PRO 294 Ca 0.32 0.67 -0.31 0.00 0.05 0.00 0.00 61.00 61.72 1b85 s PRO 294 Cb -0.09 -2.01 -0.06 0.00 0.05 0.00 0.00 34.50 32.39 1b85 s PRO 294 CO 0.24 -1.06 1.25 0.42 0.05 0.00 0.00 177.00 177.90 1b85 s ILE 295 N -3.21 3.83 0.69 0.56 1.01 -1.26 -4.27 121.20 118.55 1b85 s ILE 295 Ca 0.58 1.31 -0.11 0.00 0.00 0.00 0.00 60.65 62.43 1b85 s ILE 295 Cb -0.12 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1b85 s ILE 295 CO 0.53 0.10 1.06 -2.16 0.00 0.00 0.00 174.94 174.48 1b85 s PRO 296 N 1.08 2.98 0.50 2.79 0.04 -1.26 -4.93 135.00 136.19 1b85 s PRO 296 Ca 0.60 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1b85 s PRO 296 Cb -0.32 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1b85 s PRO 296 CO 0.29 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1b85 n GLY 297 N -2.41 -1.82 0.77 0.56 0.00 -1.26 -4.74 105.19 96.29 1b85 n GLY 297 Ca 0.07 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.35 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 0.30 1.17 -4.86 1.61 6.94 -1.26 -5.07 115.26 114.10 1b85 n ASN 298 Ca 0.00 -2.66 -0.31 0.00 -0.02 0.00 0.00 54.58 51.59 1b85 n ASN 298 Cb 0.00 -0.35 0.01 0.00 -2.36 0.00 0.00 39.78 37.08 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 -1.31 3.25 0.79 -4.53 1.43 -1.26 -5.03 118.68 112.03 1b85 s LEU 299 Ca 0.26 1.48 -0.14 0.00 -1.03 0.00 0.00 54.13 54.70 1b85 s LEU 299 Cb 0.27 -4.48 0.06 0.00 0.03 0.00 0.00 46.19 42.07 1b85 s LEU 299 CO -0.07 -0.96 1.12 -2.65 0.23 0.00 0.00 176.35 174.03 1b85 n PRO 300 N -2.70 0.29 -0.14 1.29 -0.02 -1.26 -4.92 135.00 127.54 1b85 n PRO 300 Ca 0.06 0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.62 1b85 n PRO 300 Cb 0.54 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1b85 n PRO 300 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1b85 h PHE 301 N -0.71 0.62 -3.96 6.00 3.57 -1.98 -3.42 116.94 117.06 1b85 h PHE 301 Ca -0.47 -0.04 -0.69 0.00 3.53 0.00 0.00 57.97 60.30 1b85 h PHE 301 Cb 1.31 -0.19 -0.23 0.00 2.79 0.00 0.00 35.95 39.64 1b85 h PHE 301 CO 0.44 0.53 -0.87 -1.12 -2.23 0.00 0.00 178.31 175.06 1b85 s SER 302 N -5.83 3.34 0.19 0.41 0.01 -1.26 -4.70 113.70 105.86 1b85 s SER 302 Ca -0.13 -0.71 -0.22 0.00 1.31 0.00 0.00 55.95 56.20 1b85 s SER 302 Cb 0.10 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 66.13 1b85 s SER 302 CO 0.75 0.19 0.61 0.72 0.41 0.00 0.00 173.24 175.93 1b85 s PHE 303 N -1.02 -0.40 0.08 2.43 -0.12 -1.26 -4.66 117.98 113.03 1b85 s PHE 303 Ca 0.14 0.11 -0.22 0.00 -0.05 0.00 0.00 56.93 56.91 1b85 s PHE 303 Cb -0.10 0.57 -0.07 0.00 -0.63 0.00 0.00 43.02 42.79 1b85 s PHE 303 CO 0.06 -0.94 0.67 -0.06 -0.05 0.00 0.00 175.22 174.89 1b85 s PHE 304 N -3.81 3.80 0.76 3.49 0.08 0.34 -4.98 117.98 117.67 1b85 s PHE 304 Ca 0.04 1.41 -0.15 0.00 0.12 0.00 0.00 56.93 58.35 1b85 s PHE 304 Cb -0.02 -2.66 0.04 0.00 -0.57 0.00 0.00 43.02 39.81 1b85 s PHE 304 CO -0.07 0.47 1.10 -2.30 -0.10 0.00 0.00 175.22 174.32 1b85 n PRO 305 N 2.05 0.43 -1.61 0.24 -0.02 -1.26 -1.82 135.00 133.01 1b85 n PRO 305 Ca -0.07 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 1b85 n PRO 305 Cb 0.50 -2.35 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.80 0.20 -0.42 3.55 0.00 -1.26 -2.00 120.51 117.77 1b85 n ALA 306 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1b85 n ALA 306 Cb 0.50 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 1.18 1.05 3.28 0.00 0.00 -1.25 -4.10 105.19 105.35 1b85 n GLY 307 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.42 1.59 0.27 1.61 -0.14 -0.85 -4.94 119.74 116.86 1b85 s LYS 308 Ca 0.00 -0.98 0.04 0.00 -1.36 0.00 0.00 55.97 53.67 1b85 s LYS 308 Cb 0.00 -1.70 -0.01 0.00 -1.68 0.00 0.00 37.83 34.44 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 1.92 0.00 0.04 2.17 -2.24 -1.26 -4.72 114.28 110.18 1b85 n THR 309 Ca -0.17 -1.69 0.14 0.00 -2.27 0.00 0.00 64.05 60.05 1b85 n THR 309 Cb 0.53 0.71 0.60 0.00 -2.10 0.00 0.00 70.33 70.06 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 1.59 0.87 0.00 2.28 6.09 -1.96 0.12 117.51 126.51 1b85 h ILE 310 Ca -0.20 -0.06 -0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1b85 h ILE 310 Cb 0.85 0.69 -0.00 0.00 0.47 0.00 0.00 36.82 38.83 1b85 h ILE 310 CO 0.31 0.03 -0.00 0.07 -3.07 0.00 0.00 178.15 175.48 1b85 h LYS 311 N 0.17 0.00 -0.01 2.19 2.10 -2.03 -2.31 116.57 116.67 1b85 h LYS 311 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1b85 h LYS 311 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1b85 h LYS 311 CO -0.03 0.00 -0.03 -0.25 -2.00 0.00 0.00 179.45 177.15 1b85 n ASP 312 N -3.12 1.25 -4.74 7.07 8.00 0.03 -4.88 116.55 120.15 1b85 n ASP 312 Ca -0.02 -1.36 -0.40 0.00 0.71 0.00 0.00 54.79 53.72 1b85 n ASP 312 Cb 0.13 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.06 4.82 -0.68 2.53 1.01 -0.87 -0.21 120.40 124.94 1b85 s VAL 313 Ca 0.38 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 63.71 1b85 s VAL 313 Cb 0.21 -4.07 0.14 0.00 0.00 0.00 0.00 36.38 32.66 1b85 s VAL 313 CO 0.36 0.35 0.74 -1.61 0.00 0.00 0.00 175.10 174.94 1b85 s GLU 314 N 0.08 3.23 0.07 2.72 2.02 0.09 -4.87 118.70 122.03 1b85 s GLU 314 Ca 0.37 -1.70 -0.31 0.00 0.02 0.00 0.00 54.97 53.35 1b85 s GLU 314 Cb -0.20 -4.39 -0.09 0.00 0.10 0.00 0.00 34.13 29.55 1b85 s GLU 314 CO 0.21 -1.48 1.77 -1.14 0.02 0.00 0.00 175.26 174.64 1b85 s GLN 315 N 1.94 4.17 0.00 1.61 2.00 -1.26 -4.85 119.66 123.26 1b85 s GLN 315 Ca 0.14 2.45 0.00 0.00 -2.00 0.00 0.00 55.36 55.96 1b85 s GLN 315 Cb -0.20 -3.74 0.00 0.00 0.80 0.00 0.00 33.01 29.88 1b85 s GLN 315 CO 0.00 -0.82 0.00 0.00 -0.50 0.00 0.00 175.29 173.97 1b85 n ALA 316 N 6.13 1.76 -2.60 1.58 0.00 -1.26 -4.97 120.51 121.15 1b85 n ALA 316 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1b85 n ALA 316 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 1b85 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b85 h ALA 318 N 8.34 1.00 0.03 0.00 0.00 -1.96 -3.29 119.26 123.39 1b85 h ALA 318 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.37 1b85 h ALA 318 Cb 1.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1b85 h ALA 318 CO 0.90 0.00 -1.61 0.93 0.00 0.00 0.00 179.25 179.47 1b85 h GLU 319 N 0.00 0.07 -3.38 0.00 5.08 -2.01 -3.47 114.58 110.87 1b85 h GLU 319 Ca 0.00 -0.11 -0.29 0.00 -1.00 0.00 0.00 59.36 57.95 1b85 h GLU 319 Cb 0.65 0.04 -0.34 0.00 0.50 0.00 0.00 28.75 29.60 1b85 h GLU 319 CO 0.00 0.74 -0.69 0.99 -1.00 0.00 0.00 179.01 179.05 1b85 s THR 320 N -2.61 -0.08 0.45 1.13 2.01 -1.24 -5.14 115.64 110.16 1b85 s THR 320 Ca -0.06 0.25 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 1b85 s THR 320 Cb 0.08 -0.15 -0.08 0.00 0.01 0.00 0.00 72.50 72.36 1b85 s THR 320 CO 0.82 0.10 1.27 -2.16 -0.69 0.00 0.00 174.62 173.97 1b85 s PRO 321 N 1.38 3.74 0.37 4.92 0.04 -1.26 -4.70 135.00 139.48 1b85 s PRO 321 Ca -0.06 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 1b85 s PRO 321 Cb -0.12 -2.55 -0.11 0.00 0.04 0.00 0.00 34.50 31.75 1b85 s PRO 321 CO -0.04 -0.65 1.43 0.34 0.04 0.00 0.00 177.00 178.12 1b85 n PHE 322 N -0.29 2.77 -2.03 0.56 -0.00 -1.26 -4.92 117.46 112.29 1b85 n PHE 322 Ca 0.06 0.48 -0.38 0.00 -0.00 0.00 0.00 57.45 57.61 1b85 n PHE 322 Cb 0.45 -2.50 0.01 0.00 -0.00 0.00 0.00 39.48 37.45 1b85 n PHE 322 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1b85 s PRO 323 N -2.04 3.50 -0.45 -7.13 0.04 -1.26 -4.94 135.00 122.72 1b85 s PRO 323 Ca 0.54 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.31 1b85 s PRO 323 Cb -0.50 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 31.70 1b85 s PRO 323 CO 0.63 -0.83 1.06 0.95 0.04 0.00 0.00 177.00 178.85 1b85 s THR 324 N -1.42 4.33 0.36 1.26 -4.23 -1.26 -5.00 115.64 109.68 1b85 s THR 324 Ca 0.67 1.14 0.07 0.00 -1.18 0.00 0.00 61.69 62.39 1b85 s THR 324 Cb -0.35 -4.52 -0.01 0.00 1.34 0.00 0.00 72.50 68.96 1b85 s THR 324 CO 0.42 -0.88 0.42 -0.76 -0.54 0.00 0.00 174.62 173.27 1b85 s LEU 325 N 4.13 3.72 0.47 4.79 1.43 -1.26 -5.12 118.68 126.85 1b85 s LEU 325 Ca 0.44 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 1b85 s LEU 325 Cb -0.09 -2.47 -0.07 0.00 0.03 0.00 0.00 46.19 43.59 1b85 s LEU 325 CO 0.28 -0.49 0.89 0.42 0.23 0.00 0.00 176.35 177.68 1b85 s THR 326 N -2.29 4.65 -0.13 5.49 -4.23 -1.26 -4.78 115.64 113.10 1b85 s THR 326 Ca 0.46 0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 61.87 1b85 s THR 326 Cb -0.08 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 1b85 s THR 326 CO 0.30 -0.64 0.02 -0.89 -0.54 0.00 0.00 174.62 172.86 1b85 s THR 327 N -2.54 4.41 0.58 3.99 2.01 -1.26 -0.51 115.64 122.31 1b85 s THR 327 Ca 0.55 -0.19 -0.19 0.00 0.31 0.00 0.00 61.69 62.17 1b85 s THR 327 Cb -0.10 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1b85 s THR 327 CO 0.32 0.54 1.21 -0.76 -0.69 0.00 0.00 174.62 175.24 1b85 s LEU 328 N -0.28 3.70 0.56 4.42 1.43 -0.75 -4.94 118.68 122.81 1b85 s LEU 328 Ca 0.07 2.38 -0.17 0.00 -1.03 0.00 0.00 54.13 55.38 1b85 s LEU 328 Cb -0.12 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.48 1b85 s LEU 328 CO 0.02 -1.51 1.05 -2.16 0.23 0.00 0.00 176.35 173.97 1b85 s PRO 329 N -3.27 3.51 0.07 1.29 0.04 -1.26 -4.03 135.00 131.35 1b85 s PRO 329 Ca 0.76 1.23 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1b85 s PRO 329 Cb -0.30 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1b85 s PRO 329 CO 0.33 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1b85 n GLY 330 N -0.82 -2.51 3.82 0.56 0.00 -1.26 -4.81 105.19 100.17 1b85 n GLY 330 Ca 0.09 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.32 3.19 0.33 1.61 0.04 -1.26 -3.90 135.00 134.70 1b85 s PRO 331 Ca 0.00 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 1b85 s PRO 331 Cb 0.00 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1b85 s PRO 331 CO 0.00 -0.90 1.42 -1.91 0.04 0.00 0.00 177.00 175.65 1b85 n GLU 332 N -2.57 2.40 -4.31 4.56 2.13 -1.26 -4.67 120.64 116.93 1b85 n GLU 332 Ca 0.08 0.85 -0.23 0.00 0.66 0.00 0.00 57.16 58.52 1b85 n GLU 332 Cb 0.53 -2.52 -0.12 0.00 0.27 0.00 0.00 31.44 29.60 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 -0.80 1.75 0.32 6.31 -1.32 -1.26 -5.04 115.64 115.60 1b85 s THR 333 Ca 0.57 -1.72 -0.21 0.00 -1.21 0.00 0.00 61.69 59.13 1b85 s THR 333 Cb -0.53 -1.69 -0.10 0.00 -1.51 0.00 0.00 72.50 68.68 1b85 s THR 333 CO 0.59 -0.18 0.84 -0.94 -2.21 0.00 0.00 174.62 172.72 1b85 s SER 334 N -2.26 7.04 0.12 8.08 1.04 -1.26 -4.65 113.70 121.80 1b85 s SER 334 Ca 0.11 1.57 -0.30 0.00 0.48 0.00 0.00 55.95 57.80 1b85 s SER 334 Cb -0.08 -2.48 -0.07 0.00 0.10 0.00 0.00 66.02 63.49 1b85 s SER 334 CO 0.05 -0.15 1.24 -0.69 0.98 0.00 0.00 173.24 174.68 1b85 s VAL 335 N -1.82 3.70 0.34 5.02 1.01 -0.51 -4.97 120.40 123.17 1b85 s VAL 335 Ca 0.52 1.29 -0.26 0.00 0.00 0.00 0.00 61.98 63.53 1b85 s VAL 335 Cb -0.14 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1b85 s VAL 335 CO 0.19 0.14 1.02 -1.10 0.00 0.00 0.00 175.10 175.35 1b85 s GLN 336 N 0.61 4.44 0.66 2.72 -1.52 -1.26 -4.49 119.66 120.83 1b85 s GLN 336 Ca 0.58 1.52 -0.12 0.00 -1.95 0.00 0.00 55.36 55.39 1b85 s GLN 336 Cb -0.32 -2.81 -0.01 0.00 -0.22 0.00 0.00 33.01 29.65 1b85 s GLN 336 CO 0.32 0.10 1.05 -0.98 -0.25 0.00 0.00 175.29 175.54 1b85 s ARG 337 N -2.05 3.13 -0.49 2.91 1.70 -1.26 -4.72 118.95 118.17 1b85 s ARG 337 Ca 0.51 0.96 0.00 0.00 -0.47 0.00 0.00 55.73 56.74 1b85 s ARG 337 Cb -0.23 -2.02 0.13 0.00 -0.57 0.00 0.00 34.95 32.26 1b85 s ARG 337 CO 0.30 -0.95 0.26 0.42 -1.08 0.00 0.00 175.30 174.25 1b85 s ILE 338 N -2.97 3.03 0.19 4.99 1.01 0.18 -5.03 121.20 122.60 1b85 s ILE 338 Ca 0.58 -2.74 -0.31 0.00 0.00 0.00 0.00 60.65 58.18 1b85 s ILE 338 Cb -0.14 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.16 1b85 s ILE 338 CO 0.51 -0.76 1.58 -2.84 0.00 0.00 0.00 174.94 173.44 1b85 s PRO 339 N 0.33 4.20 0.50 2.79 0.02 -1.26 -4.10 135.00 137.47 1b85 s PRO 339 Ca 0.14 2.42 -0.03 0.00 0.02 0.00 0.00 61.00 63.54 1b85 s PRO 339 Cb -0.22 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 31.16 1b85 s PRO 339 CO -0.04 -0.61 0.77 -1.25 -0.33 0.00 0.00 177.00 175.54 1b85 s PRO 340 N 0.87 3.16 1.04 5.54 0.04 -1.26 -4.81 135.00 139.58 1b85 s PRO 340 Ca 0.69 -0.14 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 1b85 s PRO 340 Cb -0.45 -2.42 0.22 0.00 0.04 0.00 0.00 34.50 31.89 1b85 s PRO 340 CO 0.34 -0.38 1.08 -2.14 0.04 0.00 0.00 177.00 175.94 1b85 s PRO 341 N -4.74 0.04 0.50 0.56 0.02 -1.26 -4.93 135.00 125.18 1b85 s PRO 341 Ca 0.49 1.08 -0.23 0.00 0.02 0.00 0.00 61.00 62.36 1b85 s PRO 341 Cb -0.10 -1.65 -0.07 0.00 0.02 0.00 0.00 34.50 32.70 1b85 s PRO 341 CO 0.42 -3.15 1.33 -2.30 -0.33 0.00 0.00 177.00 172.97 1b85 n PRO 342 N -4.55 1.83 -0.55 5.54 -0.02 -1.26 -2.91 135.00 133.08 1b85 n PRO 342 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1b85 n PRO 342 Cb 0.54 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.76 0.93 0.00 -1.23 0.00 -1.26 -4.94 105.19 99.46 1b85 n GLY 343 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1b85 n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32