#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b54 s ILE 5 N 0.00 5.24 0.22 -0.61 -1.09 -1.26 -5.07 121.20 118.63 1b54 s ILE 5 Ca 0.00 0.75 -0.29 0.00 -2.23 0.00 0.00 60.65 58.87 1b54 s ILE 5 Cb 0.00 -3.73 -0.09 0.00 -1.58 0.00 0.00 42.46 37.07 1b54 s ILE 5 CO 0.00 0.34 0.92 -0.89 -1.23 0.00 0.00 174.94 174.08 1b54 s THR 6 N 0.67 4.13 0.01 2.92 2.01 -1.26 -4.92 115.64 119.21 1b54 s THR 6 Ca 0.21 2.03 -0.04 0.00 0.31 0.00 0.00 61.69 64.20 1b54 s THR 6 Cb -0.14 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 1b54 s THR 6 CO 0.07 0.50 0.06 -0.72 -0.69 0.00 0.00 174.62 173.84 1b54 s TYR 7 N -1.13 0.16 0.39 4.92 -0.85 -1.26 -4.84 117.35 114.74 1b54 s TYR 7 Ca 0.40 -0.35 -0.26 0.00 -0.52 0.00 0.00 57.07 56.34 1b54 s TYR 7 Cb -0.25 -0.12 -0.09 0.00 0.38 0.00 0.00 41.96 41.88 1b54 s TYR 7 CO 0.31 -0.26 1.25 0.34 -1.52 0.00 0.00 175.55 175.67 1b54 s ASP 8 N -1.53 6.45 0.30 -0.18 2.15 -1.26 -4.96 116.67 117.64 1b54 s ASP 8 Ca -0.14 2.53 0.06 0.00 0.43 0.00 0.00 52.55 55.43 1b54 s ASP 8 Cb -0.08 -2.63 0.49 0.00 -0.30 0.00 0.00 42.92 40.41 1b54 s ASP 8 CO -0.00 -0.74 1.74 -0.33 -0.17 0.00 0.00 175.17 175.66 1b54 h GLU 9 N 2.76 0.30 -0.08 4.34 4.39 -2.01 -2.36 114.58 121.92 1b54 h GLU 9 Ca -0.49 -0.12 -0.15 0.00 0.34 0.00 0.00 59.36 58.93 1b54 h GLU 9 Cb 1.24 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1b54 h GLU 9 CO 0.63 0.60 -0.62 -0.44 -1.16 0.00 0.00 179.01 178.02 1b54 h ASP 10 N 0.26 0.33 0.49 1.42 5.19 -2.00 -2.51 116.42 119.60 1b54 h ASP 10 Ca 0.03 -0.19 -0.18 0.00 -0.62 0.00 0.00 57.03 56.07 1b54 h ASP 10 Cb 0.71 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 1b54 h ASP 10 CO 0.05 0.87 -0.77 -0.09 -3.12 0.00 0.00 179.24 176.18 1b54 h ARG 11 N 0.21 0.22 0.48 3.56 9.65 -1.94 -2.64 114.38 123.92 1b54 h ARG 11 Ca -0.01 -0.20 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 1b54 h ARG 11 Cb 1.14 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1b54 h ARG 11 CO 0.10 0.89 -0.23 -0.22 2.80 0.00 0.00 179.97 183.31 1b54 h LYS 12 N 0.14 -0.62 -0.71 0.20 3.64 -1.26 0.67 116.57 118.62 1b54 h LYS 12 Ca -0.03 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1b54 h LYS 12 Cb 1.35 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 33.27 1b54 h LYS 12 CO 0.12 -0.36 0.47 1.15 -2.27 0.00 0.00 179.45 178.56 1b54 h THR 13 N -0.75 0.89 0.12 1.00 2.02 -1.49 -1.74 112.91 112.96 1b54 h THR 13 Ca -0.07 -0.18 -0.30 0.00 0.77 0.00 0.00 66.41 66.63 1b54 h THR 13 Cb 0.54 0.31 0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1b54 h THR 13 CO 0.11 0.10 -1.25 -0.61 0.37 0.00 0.00 175.52 174.24 1b54 h GLN 14 N 0.53 0.60 -0.25 6.66 4.15 -1.22 -2.75 115.11 122.83 1b54 h GLN 14 Ca 0.33 -0.81 -0.05 0.00 0.77 0.00 0.00 58.65 58.89 1b54 h GLN 14 Cb 0.58 0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 1b54 h GLN 14 CO -0.11 1.37 -0.05 1.25 -1.93 0.00 0.00 178.83 179.36 1b54 h LEU 15 N 0.27 0.48 -0.90 -2.39 6.46 -0.45 -1.85 115.31 116.92 1b54 h LEU 15 Ca -0.19 -0.35 -0.07 0.00 -0.12 0.00 0.00 57.88 57.15 1b54 h LEU 15 Cb 1.92 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 41.69 1b54 h LEU 15 CO 0.24 0.72 0.03 0.40 -0.62 0.00 0.00 178.44 179.21 1b54 h ILE 16 N 0.23 1.24 0.03 4.05 2.04 -1.45 -0.82 117.51 122.83 1b54 h ILE 16 Ca 0.07 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1b54 h ILE 16 Cb 0.51 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1b54 h ILE 16 CO 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 178.15 178.51 1b54 h ALA 17 N 1.24 -0.04 -0.87 1.87 0.00 -1.41 -0.82 119.26 119.24 1b54 h ALA 17 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1b54 h ALA 17 Cb 0.43 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1b54 h ALA 17 CO 0.02 -0.40 0.49 1.96 0.00 0.00 0.00 179.25 181.31 1b54 h GLN 18 N -0.28 1.19 -0.02 0.00 4.20 -1.23 -2.05 115.11 116.92 1b54 h GLN 18 Ca -0.00 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1b54 h GLN 18 Cb 0.26 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1b54 h GLN 18 CO 0.01 0.86 0.00 -0.92 -0.67 0.00 0.00 178.83 178.11 1b54 h TYR 19 N 1.20 0.04 -0.58 2.96 3.20 -1.03 -2.59 116.97 120.16 1b54 h TYR 19 Ca 0.31 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1b54 h TYR 19 Cb -0.00 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1b54 h TYR 19 CO 0.01 0.31 0.36 0.93 -1.64 0.00 0.00 178.16 178.13 1b54 h GLU 20 N -0.24 0.78 -0.10 1.82 4.39 -1.05 -0.19 114.58 119.98 1b54 h GLU 20 Ca 0.01 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 1b54 h GLU 20 Cb 0.29 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1b54 h GLU 20 CO 0.00 0.53 -0.39 0.66 -1.16 0.00 0.00 179.01 178.66 1b54 h SER 21 N 0.80 0.22 -0.12 1.42 4.64 -1.29 0.64 113.55 119.86 1b54 h SER 21 Ca 0.21 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 1b54 h SER 21 Cb -0.05 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1b54 h SER 21 CO -0.04 0.60 -0.54 0.58 -0.87 0.00 0.00 176.83 176.56 1b54 h VAL 22 N 0.18 1.35 0.00 0.95 2.07 -0.94 -2.90 116.25 116.97 1b54 h VAL 22 Ca 0.02 -1.84 -0.06 0.00 0.82 0.00 0.00 66.70 65.64 1b54 h VAL 22 Cb 0.77 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1b54 h VAL 22 CO 0.06 0.56 -0.29 -0.09 0.02 0.00 0.00 177.57 177.83 1b54 h ARG 23 N 0.19 0.00 -0.16 1.57 2.43 -0.77 -1.84 114.38 115.80 1b54 h ARG 23 Ca -0.03 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 1b54 h ARG 23 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1b54 h ARG 23 CO 0.11 0.29 -0.69 0.93 -1.51 0.00 0.00 179.97 179.10 1b54 h GLU 24 N 0.00 0.64 -0.17 0.20 4.39 -0.86 -2.20 114.58 116.58 1b54 h GLU 24 Ca -0.00 -0.48 -0.16 0.00 0.34 0.00 0.00 59.36 59.05 1b54 h GLU 24 Cb 0.54 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1b54 h GLU 24 CO 0.04 1.10 -0.57 0.28 -1.16 0.00 0.00 179.01 178.70 1b54 h VAL 25 N 0.46 1.33 -0.31 3.13 2.07 -1.28 -0.60 116.25 121.04 1b54 h VAL 25 Ca -0.03 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 1b54 h VAL 25 Cb 1.28 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1b54 h VAL 25 CO 0.13 0.57 0.05 0.58 0.02 0.00 0.00 177.57 178.93 1b54 h VAL 26 N 0.40 1.23 -0.39 2.57 2.07 -1.32 -0.40 116.25 120.41 1b54 h VAL 26 Ca 0.00 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 1b54 h VAL 26 Cb 1.12 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1b54 h VAL 26 CO 0.11 0.26 -0.20 0.78 0.02 0.00 0.00 177.57 178.54 1b54 h ASN 27 N 0.34 0.76 -0.45 0.57 2.35 -1.33 -1.57 115.58 116.24 1b54 h ASN 27 Ca 0.10 -0.26 -0.14 0.00 -0.55 0.00 0.00 56.30 55.45 1b54 h ASN 27 Cb 0.34 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1b54 h ASN 27 CO 0.01 0.94 -0.25 0.00 -1.65 0.00 0.00 177.43 176.48 1b54 h ALA 28 N 1.12 0.64 -0.38 -0.83 0.00 -0.98 -0.64 119.26 118.19 1b54 h ALA 28 Ca 0.10 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1b54 h ALA 28 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1b54 h ALA 28 CO 0.05 0.65 0.02 0.93 0.00 0.00 0.00 179.25 180.90 1b54 h GLU 29 N 0.81 0.66 -0.22 0.00 4.39 -0.95 -2.98 114.58 116.29 1b54 h GLU 29 Ca 0.10 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1b54 h GLU 29 Cb 0.84 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1b54 h GLU 29 CO 0.07 0.75 0.07 0.00 -1.16 0.00 0.00 179.01 178.74 1b54 h ALA 30 N 0.89 0.29 0.00 3.43 0.00 -1.21 -2.28 119.26 120.37 1b54 h ALA 30 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b54 h ALA 30 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1b54 h ALA 30 CO 0.02 -0.09 0.00 1.17 0.00 0.00 0.00 179.25 180.35 1b54 n LYS 31 N -4.78 0.01 -0.32 0.00 4.81 -0.26 -1.84 118.16 115.79 1b54 n LYS 31 Ca -0.04 0.42 0.08 0.00 -0.87 0.00 0.00 58.31 57.90 1b54 n LYS 31 Cb 0.15 -1.50 0.24 0.00 0.02 0.00 0.00 35.03 33.94 1b54 n LYS 31 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1b54 n ASN 32 N -1.46 3.01 -4.00 3.14 2.85 -0.86 -4.95 115.26 112.98 1b54 n ASN 32 Ca 0.01 -2.09 -0.24 0.00 -0.11 0.00 0.00 54.58 52.15 1b54 n ASN 32 Cb 0.03 -0.39 -0.04 0.00 1.24 0.00 0.00 39.78 40.62 1b54 n ASN 32 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1b54 n VAL 33 N 0.94 0.00 0.34 3.44 0.31 -0.77 -5.10 118.33 117.51 1b54 n VAL 33 Ca 0.18 -1.76 0.13 0.00 -0.01 0.00 0.00 64.34 62.88 1b54 n VAL 33 Cb 0.51 0.29 0.56 0.00 -0.91 0.00 0.00 33.84 34.29 1b54 n VAL 33 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1b54 h HIS 34 N 1.12 0.00 0.00 3.52 2.76 -1.92 -3.51 115.15 117.11 1b54 h HIS 34 Ca -0.31 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 1b54 h HIS 34 Cb 0.95 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.91 1b54 h HIS 34 CO 0.00 0.00 0.00 -1.13 -1.30 0.00 0.00 177.93 175.50 1b54 n SER 40 N -2.41 0.00 -4.79 3.26 3.41 -1.26 -5.22 113.62 106.61 1b54 n SER 40 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.26 1b54 n SER 40 Cb 0.21 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.09 1b54 n SER 40 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1b54 s LYS 41 N 0.00 3.56 -0.01 4.33 3.01 -1.26 -4.93 119.74 124.43 1b54 s LYS 41 Ca 0.00 -0.22 -0.07 0.00 -1.01 0.00 0.00 55.97 54.67 1b54 s LYS 41 Cb 0.00 -3.16 -0.05 0.00 -1.01 0.00 0.00 37.83 33.61 1b54 s LYS 41 CO 0.00 0.62 0.25 0.42 0.51 0.00 0.00 175.35 177.16 1b54 s ILE 42 N -0.60 5.32 0.02 2.17 1.01 -1.26 -4.97 121.20 122.90 1b54 s ILE 42 Ca 0.12 0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.75 1b54 s ILE 42 Cb -0.12 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 1b54 s ILE 42 CO 0.02 0.41 0.65 -0.22 0.00 0.00 0.00 174.94 175.81 1b54 s LEU 43 N -1.62 4.44 -0.69 2.97 2.96 -0.64 -4.97 118.68 121.13 1b54 s LEU 43 Ca 0.25 1.27 -0.10 0.00 -0.22 0.00 0.00 54.13 55.33 1b54 s LEU 43 Cb -0.13 -3.03 0.18 0.00 0.50 0.00 0.00 46.19 43.71 1b54 s LEU 43 CO 0.14 0.09 0.59 -0.22 -1.32 0.00 0.00 176.35 175.63 1b54 s LEU 44 N -0.23 6.12 -0.22 -0.68 0.20 -1.26 -1.31 118.68 121.30 1b54 s LEU 44 Ca 0.33 -2.54 -0.29 0.00 0.69 0.00 0.00 54.13 52.32 1b54 s LEU 44 Cb -0.19 -2.08 -0.01 0.00 -0.43 0.00 0.00 46.19 43.48 1b54 s LEU 44 CO 0.19 -0.56 1.29 -0.22 -0.29 0.00 0.00 176.35 176.76 1b54 s LEU 45 N 0.40 4.05 -0.54 -0.68 2.96 -0.19 -4.92 118.68 119.76 1b54 s LEU 45 Ca 0.14 1.49 -0.26 0.00 -0.22 0.00 0.00 54.13 55.28 1b54 s LEU 45 Cb -0.17 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.01 1b54 s LEU 45 CO -0.05 -0.91 1.01 -0.69 -1.32 0.00 0.00 176.35 174.39 1b54 s VAL 46 N 3.91 4.31 -0.72 1.68 1.01 -1.04 -1.88 120.40 127.67 1b54 s VAL 46 Ca 0.56 0.56 -0.27 0.00 0.00 0.00 0.00 61.98 62.83 1b54 s VAL 46 Cb -0.20 -4.57 0.03 0.00 0.00 0.00 0.00 36.38 31.64 1b54 s VAL 46 CO 0.18 -1.11 1.33 -0.69 0.00 0.00 0.00 175.10 174.82 1b54 s VAL 47 N 4.17 3.70 -1.85 2.92 1.01 -0.87 0.45 120.40 129.93 1b54 s VAL 47 Ca 0.35 0.42 0.19 0.00 0.00 0.00 0.00 61.98 62.95 1b54 s VAL 47 Cb -0.11 -4.82 0.59 0.00 0.00 0.00 0.00 36.38 32.05 1b54 s VAL 47 CO 0.23 -1.74 1.49 -1.54 0.00 0.00 0.00 175.10 173.54 1b54 n SER 48 N 9.64 3.64 -4.55 3.32 3.41 -0.59 -4.31 113.62 124.19 1b54 n SER 48 Ca 0.05 -2.07 -0.45 0.00 -0.26 0.00 0.00 58.87 56.14 1b54 n SER 48 Cb 0.49 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1b54 n SER 48 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1b54 n LYS 49 N 1.34 1.06 -0.50 4.33 2.85 -1.19 -0.37 118.16 125.67 1b54 n LYS 49 Ca 0.22 0.37 0.00 0.00 -1.05 0.00 0.00 58.31 57.85 1b54 n LYS 49 Cb 0.60 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 1b54 n LYS 49 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1b54 n LEU 50 N 1.32 0.74 -4.85 -5.58 4.77 -1.26 -4.95 117.00 107.18 1b54 n LEU 50 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.74 1b54 n LEU 50 Cb 0.32 -1.16 -0.06 0.00 -2.33 0.00 0.00 43.42 40.19 1b54 n LEU 50 CO 0.59 -0.37 0.19 -0.54 -1.33 0.00 0.00 177.39 175.93 1b54 s LYS 51 N -0.74 3.93 0.65 3.23 -0.14 0.50 -5.06 119.74 122.10 1b54 s LYS 51 Ca 0.00 0.42 -0.16 0.00 -1.36 0.00 0.00 55.97 54.86 1b54 s LYS 51 Cb 0.00 -2.98 -0.01 0.00 -1.68 0.00 0.00 37.83 33.16 1b54 s LYS 51 CO 0.00 0.52 1.16 -1.25 -0.76 0.00 0.00 175.35 175.02 1b54 s PRO 52 N -1.84 2.74 0.65 -1.68 0.04 -1.26 -4.91 135.00 128.73 1b54 s PRO 52 Ca 0.35 1.61 0.43 0.00 0.04 0.00 0.00 61.00 63.43 1b54 s PRO 52 Cb -0.15 -1.92 2.24 0.00 0.04 0.00 0.00 34.50 34.71 1b54 s PRO 52 CO 0.18 -1.34 2.31 0.00 0.04 0.00 0.00 177.00 178.19 1b54 h ALA 53 N 0.29 1.01 -0.12 8.56 0.00 -1.97 -1.88 119.26 125.16 1b54 h ALA 53 Ca -0.48 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1b54 h ALA 53 Cb 1.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1b54 h ALA 53 CO 0.53 0.00 -0.59 0.66 0.00 0.00 0.00 179.25 179.86 1b54 h SER 54 N 0.00 0.42 -0.64 0.00 4.64 -1.91 -1.51 113.55 114.56 1b54 h SER 54 Ca -0.00 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 1b54 h SER 54 Cb 0.09 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1b54 h SER 54 CO 0.00 0.92 0.07 0.44 -0.87 0.00 0.00 176.83 177.39 1b54 h ASP 55 N 0.28 1.04 -0.15 4.97 5.19 -1.71 -0.46 116.42 125.58 1b54 h ASP 55 Ca -0.00 -0.27 -0.12 0.00 -0.62 0.00 0.00 57.03 56.02 1b54 h ASP 55 Cb 1.11 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 1b54 h ASP 55 CO 0.10 1.05 -0.30 0.40 -3.12 0.00 0.00 179.24 177.37 1b54 h ILE 56 N 0.99 1.28 -0.58 0.35 2.04 -1.49 -2.17 117.51 117.93 1b54 h ILE 56 Ca 0.19 -1.41 -0.08 0.00 1.00 0.00 0.00 64.86 64.56 1b54 h ILE 56 Cb 0.47 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1b54 h ILE 56 CO 0.02 0.46 0.03 -0.61 0.00 0.00 0.00 178.15 178.04 1b54 h GLN 57 N 0.55 0.98 0.52 2.37 5.75 -0.88 0.94 115.11 125.34 1b54 h GLN 57 Ca 0.07 -0.28 -0.02 0.00 -0.15 0.00 0.00 58.65 58.27 1b54 h GLN 57 Cb 0.79 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 1b54 h GLN 57 CO 0.06 0.95 -0.43 0.82 -2.65 0.00 0.00 178.83 177.58 1b54 h ILE 58 N 0.91 0.13 -0.61 2.39 2.04 -0.73 0.93 117.51 122.57 1b54 h ILE 58 Ca 0.17 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.97 1b54 h ILE 58 Cb 0.49 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1b54 h ILE 58 CO 0.02 0.00 0.16 -0.07 0.00 0.00 0.00 178.15 178.26 1b54 h LEU 59 N -0.95 0.92 0.21 1.44 4.07 -1.21 -2.32 115.31 117.47 1b54 h LEU 59 Ca -0.06 -0.23 0.01 0.00 0.08 0.00 0.00 57.88 57.68 1b54 h LEU 59 Cb 0.81 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 1b54 h LEU 59 CO -0.01 0.91 -0.52 0.22 -1.08 0.00 0.00 178.44 177.96 1b54 h TYR 60 N 0.89 -1.48 -0.95 1.13 5.03 0.11 0.52 116.97 122.22 1b54 h TYR 60 Ca 0.19 0.03 0.27 0.00 2.58 0.00 0.00 58.73 61.81 1b54 h TYR 60 Cb 0.34 0.62 -0.04 0.00 1.55 0.00 0.00 36.73 39.20 1b54 h TYR 60 CO 0.02 -0.61 0.68 -0.44 -1.32 0.00 0.00 178.16 176.49 1b54 h ASP 61 N -0.81 0.02 0.93 -2.11 5.19 -0.70 0.75 116.42 119.69 1b54 h ASP 61 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1b54 h ASP 61 Cb 0.78 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1b54 h ASP 61 CO -0.24 0.01 0.00 1.57 -3.12 0.00 0.00 179.24 177.46 1b54 n HIS 62 N -4.27 0.59 0.00 4.55 -0.00 0.12 -4.87 115.22 111.34 1b54 n HIS 62 Ca 0.20 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.58 1b54 n HIS 62 Cb 1.00 -0.83 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 1b54 n HIS 62 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1b54 n GLY 63 N 0.56 0.92 3.74 1.57 0.00 0.26 -5.09 105.19 107.15 1b54 n GLY 63 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1b54 n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b54 s VAL 64 N -2.00 4.12 0.00 1.61 1.01 -0.85 -4.96 120.40 119.33 1b54 s VAL 64 Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1b54 s VAL 64 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1b54 s VAL 64 CO 0.00 0.39 0.00 0.54 0.00 0.00 0.00 175.10 176.03 1b54 n ARG 65 N 2.01 2.67 -3.70 2.72 5.12 -1.26 -4.20 116.66 120.02 1b54 n ARG 65 Ca 0.00 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 1b54 n ARG 65 Cb 0.47 -0.93 -0.12 0.00 -1.16 0.00 0.00 32.46 30.73 1b54 n ARG 65 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1b54 s GLU 66 N -1.81 3.33 0.04 5.56 2.02 -1.26 0.62 118.70 127.20 1b54 s GLU 66 Ca 0.00 -0.71 0.07 0.00 0.02 0.00 0.00 54.97 54.35 1b54 s GLU 66 Cb 0.00 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 1b54 s GLU 66 CO 0.00 -0.38 -0.21 -0.06 0.02 0.00 0.00 175.26 174.63 1b54 s PHE 67 N 1.59 1.86 -0.15 1.61 0.40 -1.21 -2.50 117.98 119.58 1b54 s PHE 67 Ca 0.04 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1b54 s PHE 67 Cb -0.17 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.22 1b54 s PHE 67 CO 0.05 0.09 -0.03 0.20 0.70 0.00 0.00 175.22 176.23 1b54 s GLY 68 N -1.16 1.75 0.08 4.36 0.00 0.17 -1.75 107.32 110.77 1b54 s GLY 68 Ca 0.08 -0.81 0.09 0.00 0.00 0.00 0.00 44.72 44.08 1b54 s GLY 68 CO 0.02 -0.14 -0.25 -0.54 0.00 0.00 0.00 173.10 172.19 1b54 s GLU 69 N 0.17 1.53 -0.02 2.90 0.41 -0.41 -1.55 118.70 121.74 1b54 s GLU 69 Ca -0.01 -1.16 0.15 0.00 -0.41 0.00 0.00 54.97 53.54 1b54 s GLU 69 Cb -0.14 -1.81 -0.21 0.00 -1.78 0.00 0.00 34.13 30.19 1b54 s GLU 69 CO 0.03 0.45 0.36 0.09 -0.49 0.00 0.00 175.26 175.70 1b54 n ASN 70 N 1.45 1.53 -4.32 -0.19 4.13 -1.26 -0.76 115.26 115.84 1b54 n ASN 70 Ca -0.18 -0.12 -0.34 0.00 1.68 0.00 0.00 54.58 55.62 1b54 n ASN 70 Cb 0.53 1.56 -0.14 0.00 -1.54 0.00 0.00 39.78 40.19 1b54 n ASN 70 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1b54 s TYR 71 N -2.91 2.87 0.12 3.10 2.02 -1.26 -3.99 117.35 117.30 1b54 s TYR 71 Ca -0.04 -0.86 -0.33 0.00 -0.37 0.00 0.00 57.07 55.47 1b54 s TYR 71 Cb 0.09 -1.96 -0.11 0.00 -0.40 0.00 0.00 41.96 39.58 1b54 s TYR 71 CO 0.60 -0.41 1.57 0.28 -1.57 0.00 0.00 175.55 176.02 1b54 h VAL 72 N 5.58 0.05 -0.88 0.71 2.07 -1.92 -0.60 116.25 121.26 1b54 h VAL 72 Ca -0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1b54 h VAL 72 Cb 1.18 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1b54 h VAL 72 CO 0.59 0.00 0.56 1.56 0.02 0.00 0.00 177.57 180.30 1b54 h GLN 73 N -0.63 1.18 -0.54 1.57 1.08 -1.99 -1.85 115.11 113.92 1b54 h GLN 73 Ca 0.03 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1b54 h GLN 73 Cb 0.70 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 1b54 h GLN 73 CO -0.36 0.80 0.29 1.49 -0.95 0.00 0.00 178.83 180.10 1b54 h GLU 74 N 1.21 0.76 -0.71 1.46 4.81 -1.90 -0.79 114.58 119.42 1b54 h GLU 74 Ca 0.32 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1b54 h GLU 74 Cb -0.10 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1b54 h GLU 74 CO -0.07 0.60 0.34 1.25 -0.73 0.00 0.00 179.01 180.41 1b54 h LEU 75 N 0.73 0.93 -0.29 1.64 6.46 -0.66 0.49 115.31 124.60 1b54 h LEU 75 Ca 0.19 -0.13 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1b54 h LEU 75 Cb 0.07 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 1b54 h LEU 75 CO -0.03 0.80 0.00 0.40 -0.62 0.00 0.00 178.44 179.00 1b54 h ILE 76 N 0.99 1.25 -0.44 4.05 2.04 -1.11 0.19 117.51 124.49 1b54 h ILE 76 Ca 0.24 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1b54 h ILE 76 Cb 0.12 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1b54 h ILE 76 CO -0.03 0.30 0.18 -0.08 0.00 0.00 0.00 178.15 178.52 1b54 h GLU 77 N 0.31 0.66 -0.66 2.37 4.57 -1.00 -2.72 114.58 118.10 1b54 h GLU 77 Ca 0.08 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1b54 h GLU 77 Cb 0.42 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1b54 h GLU 77 CO 0.01 0.60 0.27 0.87 -1.18 0.00 0.00 179.01 179.58 1b54 h LYS 78 N 0.57 0.99 -0.56 1.92 1.57 -0.75 -2.89 116.57 117.41 1b54 h LYS 78 Ca 0.15 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1b54 h LYS 78 Cb 0.18 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1b54 h LYS 78 CO -0.01 0.82 0.35 0.00 -0.57 0.00 0.00 179.45 180.03 1b54 h ALA 79 N 1.12 1.55 0.00 3.86 0.00 -0.43 -2.42 119.26 122.94 1b54 h ALA 79 Ca 0.22 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1b54 h ALA 79 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1b54 h ALA 79 CO -0.02 0.40 -0.46 0.87 0.00 0.00 0.00 179.25 180.03 1b54 h LYS 80 N 0.77 0.00 0.00 0.00 1.57 -1.28 -3.30 116.57 114.32 1b54 h LYS 80 Ca 0.20 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.84 1b54 h LYS 80 Cb -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1b54 h LYS 80 CO -0.04 0.46 -1.19 -0.07 -0.57 0.00 0.00 179.45 178.04 1b54 h LEU 81 N 0.00 0.00-10.05 2.94 3.38 -1.32 -3.48 115.31 106.77 1b54 h LEU 81 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 1b54 h LEU 81 Cb 1.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1b54 h LEU 81 CO 0.06 0.54 -0.43 -0.76 0.09 0.00 0.00 178.44 177.94 1b54 s LEU 82 N -5.92 3.22 0.43 1.67 1.43 -0.95 -4.81 118.68 113.75 1b54 s LEU 82 Ca -0.01 -0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 51.92 1b54 s LEU 82 Cb 0.08 -1.71 -0.11 0.00 0.03 0.00 0.00 46.19 44.49 1b54 s LEU 82 CO 0.80 -0.63 0.81 -2.65 0.23 0.00 0.00 176.35 174.90 1b54 n PRO 83 N -1.41 0.97 0.23 1.29 -0.02 -1.26 -4.90 135.00 129.89 1b54 n PRO 83 Ca 0.01 0.35 0.15 0.00 -2.02 0.00 0.00 63.50 62.00 1b54 n PRO 83 Cb 0.63 -1.81 0.61 0.00 -0.02 0.00 0.00 33.50 32.91 1b54 n PRO 83 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b54 h ASP 84 N 1.14 0.00 -0.45 2.55 3.32 -1.99 -3.08 116.42 117.92 1b54 h ASP 84 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1b54 h ASP 84 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1b54 h ASP 84 CO 0.54 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.16 1b54 n ASP 85 N -2.79 2.46 -4.78 6.45 5.75 -1.26 -4.70 116.55 117.68 1b54 n ASP 85 Ca 0.01 -2.01 -0.36 0.00 -0.01 0.00 0.00 54.79 52.41 1b54 n ASP 85 Cb 0.28 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1b54 n ASP 85 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1b54 s ILE 86 N -1.41 3.31 -0.73 2.12 1.01 -1.17 -4.96 121.20 119.37 1b54 s ILE 86 Ca 0.30 0.95 -0.06 0.00 0.00 0.00 0.00 60.65 61.84 1b54 s ILE 86 Cb 0.16 -3.47 0.19 0.00 0.01 0.00 0.00 42.46 39.35 1b54 s ILE 86 CO 0.20 -0.04 0.59 -0.54 0.00 0.00 0.00 174.94 175.15 1b54 s LYS 87 N -2.77 3.01 0.30 2.79 3.01 0.20 -4.84 119.74 121.44 1b54 s LYS 87 Ca 0.64 -2.61 -0.29 0.00 -1.01 0.00 0.00 55.97 52.70 1b54 s LYS 87 Cb -0.25 -4.00 -0.10 0.00 -1.01 0.00 0.00 37.83 32.47 1b54 s LYS 87 CO 0.31 -1.22 1.28 -1.58 0.51 0.00 0.00 175.35 174.65 1b54 s TRP 88 N -0.16 3.16 -0.13 3.18 0.52 -1.11 -3.32 118.94 121.08 1b54 s TRP 88 Ca 0.19 1.41 0.01 0.00 0.02 0.00 0.00 56.10 57.73 1b54 s TRP 88 Cb -0.16 -3.61 0.02 0.00 -1.15 0.00 0.00 33.47 28.57 1b54 s TRP 88 CO -0.06 -1.69 -0.17 -1.01 0.02 0.00 0.00 176.95 174.04 1b54 s HIS 89 N -0.91 2.27 -0.40 -1.98 3.76 -0.72 -0.70 115.29 116.62 1b54 s HIS 89 Ca 0.50 -1.18 -0.18 0.00 -0.15 0.00 0.00 55.06 54.05 1b54 s HIS 89 Cb -0.38 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 31.71 1b54 s HIS 89 CO 0.48 -0.60 0.47 0.12 -0.85 0.00 0.00 174.74 174.37 1b54 s PHE 90 N 1.11 3.16 -0.18 1.40 5.36 0.27 -1.29 117.98 127.81 1b54 s PHE 90 Ca -0.02 -0.19 0.17 0.00 -0.96 0.00 0.00 56.93 55.92 1b54 s PHE 90 Cb -0.14 -2.94 0.46 0.00 -0.34 0.00 0.00 43.02 40.06 1b54 s PHE 90 CO -0.05 -0.67 1.35 0.44 -1.46 0.00 0.00 175.22 174.83 1b54 n ILE 91 N 5.48 2.20 -3.17 3.12 -5.35 0.06 -1.86 119.36 119.83 1b54 n ILE 91 Ca -0.06 -2.10 -0.02 0.00 -0.27 0.00 0.00 62.75 60.30 1b54 n ILE 91 Cb 0.48 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 1b54 n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b54 n GLY 92 N -0.85 2.29 3.69 3.28 0.00 -1.24 -4.85 105.19 107.52 1b54 n GLY 92 Ca 0.21 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1b54 n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b54 s GLY 93 N -2.04 1.77 -0.24 -0.02 0.00 -1.26 -4.69 107.32 100.84 1b54 s GLY 93 Ca 0.04 1.00 -0.08 0.00 0.00 0.00 0.00 44.72 45.68 1b54 s GLY 93 CO 0.02 2.61 0.10 -2.27 0.00 0.00 0.00 173.10 173.57 1b54 s LEU 94 N 2.35 3.68 -0.03 0.66 2.96 -1.26 -4.93 118.68 122.11 1b54 s LEU 94 Ca 0.67 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1b54 s LEU 94 Cb -0.34 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1b54 s LEU 94 CO 0.28 0.00 0.12 -1.10 -1.32 0.00 0.00 176.35 174.33 1b54 s GLN 95 N 1.40 3.23 0.56 1.98 -0.21 -1.26 -5.00 119.66 120.35 1b54 s GLN 95 Ca 0.06 -0.38 0.23 0.00 0.02 0.00 0.00 55.36 55.29 1b54 s GLN 95 Cb -0.15 -2.97 1.53 0.00 1.00 0.00 0.00 33.01 32.42 1b54 s GLN 95 CO 0.05 0.68 2.17 1.15 -2.12 0.00 0.00 175.29 177.22 1b54 h THR 96 N 3.26 0.74 0.00 -0.19 2.02 -1.96 -1.85 112.91 114.92 1b54 h THR 96 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1b54 h THR 96 Cb 1.19 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1b54 h THR 96 CO 0.63 0.00 0.00 -0.55 0.37 0.00 0.00 175.52 175.97 1b54 h ASN 97 N 0.00 0.00 0.12 4.18 -0.00 -2.01 -3.14 115.58 114.74 1b54 h ASN 97 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 1b54 h ASN 97 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 1b54 h ASN 97 CO -0.00 0.00 -0.53 0.29 -0.00 0.00 0.00 177.43 177.19 1b54 n LYS 98 N -2.47 0.70 0.01 4.14 4.76 -0.70 -4.30 118.16 120.29 1b54 n LYS 98 Ca 0.04 -0.52 -0.10 0.00 -2.87 0.00 0.00 58.31 54.86 1b54 n LYS 98 Cb 0.41 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.07 1b54 n LYS 98 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b54 h LYS 100 N -0.03 0.66 -0.19 0.00 3.64 -1.78 0.67 116.57 119.54 1b54 h LYS 100 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1b54 h LYS 100 Cb 0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1b54 h LYS 100 CO -0.10 0.43 0.05 -0.44 -2.27 0.00 0.00 179.45 177.13 1b54 h ASP 101 N 0.68 0.28 -0.45 4.20 3.32 -1.63 -3.06 116.42 119.75 1b54 h ASP 101 Ca 0.49 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1b54 h ASP 101 Cb 0.69 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1b54 h ASP 101 CO -0.36 0.43 0.15 -0.07 -1.72 0.00 0.00 179.24 177.66 1b54 h LEU 102 N 0.12 0.65 -2.27 1.55 4.07 -0.52 -2.90 115.31 116.02 1b54 h LEU 102 Ca 0.06 -0.20 0.04 0.00 0.08 0.00 0.00 57.88 57.86 1b54 h LEU 102 Cb 0.25 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1b54 h LEU 102 CO -0.00 0.68 0.16 0.00 -1.08 0.00 0.00 178.44 178.21 1b54 h ALA 103 N 1.00 1.76 0.00 1.53 0.00 -0.85 -1.87 119.26 120.83 1b54 h ALA 103 Ca 0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1b54 h ALA 103 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1b54 h ALA 103 CO -0.01 -0.24 -0.38 0.87 0.00 0.00 0.00 179.25 179.50 1b54 h LYS 104 N 0.00 0.00 -6.26 0.00 1.57 -1.41 -3.41 116.57 107.06 1b54 h LYS 104 Ca 0.07 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.28 1b54 h LYS 104 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1b54 h LYS 104 CO -0.00 0.38 1.20 0.08 -0.57 0.00 0.00 179.45 180.53 1b54 s VAL 105 N -4.10 3.54 0.12 0.50 1.01 -0.71 -4.90 120.40 115.87 1b54 s VAL 105 Ca -0.02 0.60 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 1b54 s VAL 105 Cb 0.14 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1b54 s VAL 105 CO 0.72 -0.27 1.73 1.55 0.00 0.00 0.00 175.10 178.82 1b54 h PRO 106 N 11.54 0.09 -1.39 2.72 0.13 -1.88 -2.77 132.00 140.44 1b54 h PRO 106 Ca -0.35 -0.01 -0.25 0.00 -0.87 0.00 0.00 66.00 64.52 1b54 h PRO 106 Cb 1.17 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1b54 h PRO 106 CO 1.00 0.06 0.33 0.27 -0.23 0.00 0.00 178.00 179.42 1b54 n ASN 107 N -5.10 5.25 -4.49 1.44 6.94 -1.26 -4.76 115.26 113.28 1b54 n ASN 107 Ca -0.03 -2.86 -0.43 0.00 -0.02 0.00 0.00 54.58 51.25 1b54 n ASN 107 Cb 0.09 -0.92 -0.03 0.00 -2.36 0.00 0.00 39.78 36.56 1b54 n ASN 107 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1b54 s LEU 108 N -1.48 4.20 0.15 -4.53 2.96 -1.05 -2.75 118.68 116.19 1b54 s LEU 108 Ca 0.25 -1.34 -0.11 0.00 -0.22 0.00 0.00 54.13 52.71 1b54 s LEU 108 Cb 0.20 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.42 1b54 s LEU 108 CO 0.01 -1.40 1.55 0.22 -1.32 0.00 0.00 176.35 175.41 1b54 h TYR 109 N 9.46 1.07 -3.29 5.38 3.20 -1.20 -3.43 116.97 128.16 1b54 h TYR 109 Ca -0.04 -0.25 -0.06 0.00 3.14 0.00 0.00 58.73 61.53 1b54 h TYR 109 Cb 1.04 -0.25 -0.14 0.00 1.54 0.00 0.00 36.73 38.91 1b54 h TYR 109 CO 1.13 1.04 -0.10 0.45 -1.64 0.00 0.00 178.16 179.04 1b54 s SER 110 N -6.61 -0.23 -0.19 -2.11 0.15 -0.47 -1.61 113.70 102.63 1b54 s SER 110 Ca -0.12 -0.23 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 1b54 s SER 110 Cb 0.12 0.45 0.06 0.00 -1.71 0.00 0.00 66.02 64.93 1b54 s SER 110 CO 0.85 -0.78 0.03 -0.69 1.20 0.00 0.00 173.24 173.85 1b54 s VAL 111 N -3.34 0.58 -2.47 4.45 1.01 -0.25 -0.57 120.40 119.81 1b54 s VAL 111 Ca 0.00 -0.58 0.23 0.00 0.00 0.00 0.00 61.98 61.63 1b54 s VAL 111 Cb 0.01 -1.06 0.42 0.00 0.00 0.00 0.00 36.38 35.74 1b54 s VAL 111 CO -0.09 -0.19 1.43 -0.62 0.00 0.00 0.00 175.10 175.63 1b54 n GLU 112 N 5.03 2.32 -1.45 2.72 1.02 -0.78 -1.42 120.64 128.09 1b54 n GLU 112 Ca -0.09 -1.99 -0.17 0.00 -0.02 0.00 0.00 57.16 54.89 1b54 n GLU 112 Cb 0.47 -1.48 0.10 0.00 -0.02 0.00 0.00 31.44 30.50 1b54 n GLU 112 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1b54 n THR 113 N 1.22 2.65 -2.43 2.62 -2.24 -1.25 -3.96 114.28 110.89 1b54 n THR 113 Ca 0.18 -3.56 -0.43 0.00 -2.27 0.00 0.00 64.05 57.97 1b54 n THR 113 Cb 0.54 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 1b54 n THR 113 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1b54 s ILE 114 N -4.13 4.22 -0.16 2.28 -1.09 -1.10 -4.59 121.20 116.62 1b54 s ILE 114 Ca 0.50 1.42 0.18 0.00 -2.23 0.00 0.00 60.65 60.53 1b54 s ILE 114 Cb 0.42 -4.09 0.45 0.00 -1.58 0.00 0.00 42.46 37.66 1b54 s ILE 114 CO 0.01 -0.32 1.17 -0.90 -1.23 0.00 0.00 174.94 173.67 1b54 n ASP 115 N 7.15 1.99 -3.58 3.58 5.75 -1.26 -0.92 116.55 129.26 1b54 n ASP 115 Ca 0.14 -2.75 -0.07 0.00 -0.01 0.00 0.00 54.79 52.11 1b54 n ASP 115 Cb 0.46 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 1b54 n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1b54 s SER 116 N -3.02 -0.24 0.18 -1.12 1.04 -1.26 -4.65 113.70 104.63 1b54 s SER 116 Ca 0.36 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.89 1b54 s SER 116 Cb 0.37 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.79 1b54 s SER 116 CO -0.08 -0.33 1.44 0.25 0.98 0.00 0.00 173.24 175.51 1b54 h LEU 117 N 2.16 0.46 -0.62 2.42 5.85 -1.94 -2.75 115.31 120.88 1b54 h LEU 117 Ca -0.14 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.36 1b54 h LEU 117 Cb 1.19 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 1b54 h LEU 117 CO 0.27 1.03 0.28 0.50 -0.34 0.00 0.00 178.44 180.18 1b54 h LYS 118 N 0.26 0.49 -0.32 1.25 1.63 -1.99 -1.01 116.57 116.88 1b54 h LYS 118 Ca -0.03 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.65 1b54 h LYS 118 Cb 1.29 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 1b54 h LYS 118 CO 0.12 0.32 -0.16 0.87 -3.45 0.00 0.00 179.45 177.16 1b54 h LYS 119 N 0.50 0.66 -0.29 1.90 1.57 -1.95 -1.99 116.57 116.98 1b54 h LYS 119 Ca 0.30 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1b54 h LYS 119 Cb 0.31 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1b54 h LYS 119 CO -0.25 0.88 0.17 0.00 -0.57 0.00 0.00 179.45 179.68 1b54 h ALA 120 N 0.76 0.36 -0.73 3.86 0.00 -1.15 -0.82 119.26 121.54 1b54 h ALA 120 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1b54 h ALA 120 Cb 0.69 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1b54 h ALA 120 CO 0.05 -0.20 0.27 0.87 0.00 0.00 0.00 179.25 180.24 1b54 h LYS 121 N 0.36 1.10 -0.42 0.00 1.57 -1.18 -1.78 116.57 116.21 1b54 h LYS 121 Ca 0.11 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 1b54 h LYS 121 Cb -0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1b54 h LYS 121 CO -0.05 0.91 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.24 1b54 h LYS 122 N 1.07 0.92 -0.29 3.15 1.63 -1.06 0.76 116.57 122.75 1b54 h LYS 122 Ca 0.24 -0.42 -0.12 0.00 -0.85 0.00 0.00 60.65 59.50 1b54 h LYS 122 Cb 0.24 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1b54 h LYS 122 CO -0.02 1.08 -0.29 1.25 -3.45 0.00 0.00 179.45 178.03 1b54 h LEU 123 N 0.78 0.76 -0.64 5.20 5.85 -1.03 0.17 115.31 126.40 1b54 h LEU 123 Ca 0.09 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1b54 h LEU 123 Cb 0.86 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1b54 h LEU 123 CO 0.08 1.07 0.16 -1.13 -0.34 0.00 0.00 178.44 178.28 1b54 h ASN 124 N 0.46 0.96 0.72 1.25 -1.24 -1.31 0.78 115.58 117.19 1b54 h ASN 124 Ca 0.05 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 56.79 1b54 h ASN 124 Cb 0.86 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.66 1b54 h ASN 124 CO 0.07 0.94 -0.36 -0.08 -1.29 0.00 0.00 177.43 176.70 1b54 h GLU 125 N 0.93 -0.96 -0.82 6.67 4.81 -0.71 -2.27 114.58 122.24 1b54 h GLU 125 Ca 0.20 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1b54 h GLU 125 Cb 0.35 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1b54 h GLU 125 CO 0.00 -0.64 0.53 0.77 -0.73 0.00 0.00 179.01 178.94 1b54 h SER 126 N -0.99 0.96 -0.34 1.04 0.02 -0.54 -2.62 113.55 111.09 1b54 h SER 126 Ca -0.10 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1b54 h SER 126 Cb 0.77 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1b54 h SER 126 CO 0.15 0.72 0.11 -0.09 -1.14 0.00 0.00 176.83 176.58 1b54 h ARG 127 N 1.12 0.60 -0.39 3.45 9.65 -0.81 -1.12 114.38 126.88 1b54 h ARG 127 Ca 0.30 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 59.02 1b54 h ARG 127 Cb -0.09 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 1b54 h ARG 127 CO -0.06 0.54 0.00 0.00 2.80 0.00 0.00 179.97 183.25 1b54 h ALA 128 N 1.54 0.53 -0.21 2.80 0.00 -1.04 0.12 119.26 122.99 1b54 h ALA 128 Ca 0.14 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1b54 h ALA 128 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1b54 h ALA 128 CO -0.01 0.30 -0.61 1.57 0.00 0.00 0.00 179.25 180.51 1b54 h LYS 129 N 0.52 0.70 0.00 0.00 2.10 -1.20 -3.24 116.57 115.44 1b54 h LYS 129 Ca 0.11 -0.47 -0.20 0.00 -2.00 0.00 0.00 60.65 58.09 1b54 h LYS 129 Cb 0.47 0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 31.83 1b54 h LYS 129 CO 0.02 1.09 -2.12 1.19 -2.00 0.00 0.00 179.45 177.64 1b54 n PHE 130 N -3.96 0.00 -2.87 0.07 3.72 -0.46 -4.75 117.46 109.21 1b54 n PHE 130 Ca -0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.24 1b54 n PHE 130 Cb 0.65 -0.72 0.03 0.00 -0.94 0.00 0.00 39.48 38.49 1b54 n PHE 130 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1b54 n GLN 131 N -2.48 1.07 0.23 -1.08 1.13 0.37 -4.91 117.38 111.70 1b54 n GLN 131 Ca -0.19 -2.88 0.06 0.00 -1.94 0.00 0.00 57.00 52.04 1b54 n GLN 131 Cb 0.87 -1.21 0.52 0.00 0.11 0.00 0.00 30.24 30.53 1b54 n GLN 131 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1b54 h PRO 132 N 2.86 0.00 -0.27 -1.09 0.13 -1.45 -2.55 132.00 129.63 1b54 h PRO 132 Ca -0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 1b54 h PRO 132 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1b54 h PRO 132 CO 0.36 0.17 -0.11 -0.44 -0.23 0.00 0.00 178.00 177.75 1b54 h ASP 133 N 0.00 0.56 -4.24 1.44 3.32 -1.89 -3.46 116.42 112.16 1b54 h ASP 133 Ca -0.00 -0.40 -0.52 0.00 0.02 0.00 0.00 57.03 56.13 1b54 h ASP 133 Cb 0.30 -0.16 0.16 0.00 0.22 0.00 0.00 39.33 39.86 1b54 h ASP 133 CO 0.02 0.83 0.31 0.00 -1.72 0.00 0.00 179.24 178.69 1b54 n ASN 135 N -3.43 0.75 -4.74 0.00 5.03 -1.26 -4.90 115.26 106.70 1b54 n ASN 135 Ca 0.12 0.74 -0.41 0.00 0.87 0.00 0.00 54.58 55.89 1b54 n ASN 135 Cb 0.52 -1.42 -0.03 0.00 -1.02 0.00 0.00 39.78 37.83 1b54 n ASN 135 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1b54 s PRO 136 N -3.12 4.33 0.09 3.52 0.02 -1.26 -4.94 135.00 133.64 1b54 s PRO 136 Ca 0.76 2.17 -0.31 0.00 0.02 0.00 0.00 61.00 63.64 1b54 s PRO 136 Cb -0.38 -3.16 -0.09 0.00 0.02 0.00 0.00 34.50 30.90 1b54 s PRO 136 CO 0.47 -0.34 1.66 0.42 -0.33 0.00 0.00 177.00 178.89 1b54 s ILE 137 N 0.13 2.93 0.21 2.83 1.01 -0.50 -4.54 121.20 123.27 1b54 s ILE 137 Ca 0.58 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.37 1b54 s ILE 137 Cb -0.39 -3.28 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 1b54 s ILE 137 CO 0.40 0.00 1.16 -0.76 0.00 0.00 0.00 174.94 175.74 1b54 s LEU 138 N 2.47 4.48 0.06 2.97 1.43 -0.63 0.20 118.68 129.66 1b54 s LEU 138 Ca 0.74 2.23 0.06 0.00 -1.03 0.00 0.00 54.13 56.13 1b54 s LEU 138 Cb -0.41 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1b54 s LEU 138 CO 0.33 -0.29 -0.17 0.00 0.23 0.00 0.00 176.35 176.45 1b54 s ASN 140 N -1.42 3.33 -0.26 0.00 0.02 -0.51 0.95 114.94 117.05 1b54 s ASN 140 Ca 0.03 -0.55 -0.17 0.00 -1.02 0.00 0.00 52.86 51.15 1b54 s ASN 140 Cb -0.09 -0.37 -0.03 0.00 0.02 0.00 0.00 41.25 40.78 1b54 s ASN 140 CO 0.02 0.26 0.48 -0.69 0.02 0.00 0.00 177.10 177.19 1b54 s VAL 141 N -0.84 5.10 -0.15 1.60 1.01 0.23 -2.71 120.40 124.63 1b54 s VAL 141 Ca 0.12 0.80 -0.27 0.00 0.00 0.00 0.00 61.98 62.64 1b54 s VAL 141 Cb -0.10 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1b54 s VAL 141 CO 0.03 0.11 0.89 -1.58 0.00 0.00 0.00 175.10 174.55 1b54 s GLN 142 N 2.21 4.33 0.01 2.72 0.74 -0.10 -0.57 119.66 129.00 1b54 s GLN 142 Ca 0.20 1.15 0.07 0.00 0.05 0.00 0.00 55.36 56.82 1b54 s GLN 142 Cb -0.16 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 1b54 s GLN 142 CO 0.09 -0.34 -0.22 0.42 -0.55 0.00 0.00 175.29 174.69 1b54 s ILE 143 N 2.17 2.46 -0.67 -2.34 1.01 0.37 -1.62 121.20 122.58 1b54 s ILE 143 Ca 0.41 -1.12 -0.24 0.00 0.00 0.00 0.00 60.65 59.71 1b54 s ILE 143 Cb -0.17 -1.95 0.06 0.00 0.01 0.00 0.00 42.46 40.41 1b54 s ILE 143 CO 0.13 0.47 1.03 0.21 0.00 0.00 0.00 174.94 176.78 1b54 s ASN 144 N -1.00 6.18 0.18 3.58 2.47 0.23 -4.47 114.94 122.12 1b54 s ASN 144 Ca 0.12 -0.83 0.25 0.00 0.42 0.00 0.00 52.86 52.82 1b54 s ASN 144 Cb -0.10 -2.45 0.51 0.00 -1.45 0.00 0.00 41.25 37.76 1b54 s ASN 144 CO 0.02 -1.51 1.51 0.71 -3.72 0.00 0.00 177.10 174.10 1b54 h THR 145 N 5.99 0.00 -4.05 -5.21 1.35 -1.88 -3.44 112.91 105.67 1b54 h THR 145 Ca -0.28 -0.55 -0.50 0.00 -0.55 0.00 0.00 66.41 64.53 1b54 h THR 145 Cb 1.07 1.32 0.06 0.00 -1.73 0.00 0.00 68.15 68.87 1b54 h THR 145 CO 1.20 0.00 0.44 -0.94 -0.25 0.00 0.00 175.52 175.96 1b54 s SER 146 N -4.55 6.04 -0.01 5.36 1.04 -1.26 -4.73 113.70 115.58 1b54 s SER 146 Ca 0.08 2.15 0.11 0.00 0.48 0.00 0.00 55.95 58.78 1b54 s SER 146 Cb 0.12 -2.58 0.35 0.00 0.10 0.00 0.00 66.02 64.01 1b54 s SER 146 CO 0.67 -1.00 1.27 1.41 0.98 0.00 0.00 173.24 176.57 1b54 n HIS 147 N -0.93 0.58 -3.43 5.02 8.25 -1.26 -4.86 115.22 118.59 1b54 n HIS 147 Ca 0.10 -0.27 -0.17 0.00 -0.26 0.00 0.00 57.72 57.11 1b54 n HIS 147 Cb 0.50 -0.04 0.03 0.00 1.12 0.00 0.00 29.99 31.60 1b54 n HIS 147 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1b54 n GLU 148 N 0.59 0.79 -3.13 -0.41 1.02 -1.26 -5.09 120.64 113.16 1b54 n GLU 148 Ca 0.13 -2.50 -0.40 0.00 -0.02 0.00 0.00 57.16 54.37 1b54 n GLU 148 Cb 0.37 0.06 -0.05 0.00 -0.02 0.00 0.00 31.44 31.80 1b54 n GLU 148 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1b54 s ASP 149 N -3.59 6.79 -0.05 1.62 1.01 -1.26 -5.04 116.67 116.15 1b54 s ASP 149 Ca 0.35 0.96 0.02 0.00 0.71 0.00 0.00 52.55 54.58 1b54 s ASP 149 Cb -0.03 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1b54 s ASP 149 CO 0.22 -0.17 -0.09 -1.10 0.21 0.00 0.00 175.17 174.24 1b54 s GLN 150 N 1.30 1.26 0.65 8.23 1.11 -1.26 -5.03 119.66 125.92 1b54 s GLN 150 Ca 0.31 -0.30 0.25 0.00 0.01 0.00 0.00 55.36 55.64 1b54 s GLN 150 Cb -0.16 -1.11 1.34 0.00 -1.01 0.00 0.00 33.01 32.06 1b54 s GLN 150 CO 0.13 0.02 1.76 1.57 0.01 0.00 0.00 175.29 178.78 1b54 h LYS 151 N 6.89 0.00 -4.75 2.91 2.10 -2.05 -3.42 116.57 118.25 1b54 h LYS 151 Ca -0.34 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.05 1b54 h LYS 151 Cb 1.17 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.36 1b54 h LYS 151 CO 0.48 0.00 -0.69 -1.54 -2.00 0.00 0.00 179.45 175.70 1b54 s SER 152 N -4.33 1.25 0.00 7.07 1.04 -1.26 -5.12 113.70 112.36 1b54 s SER 152 Ca -0.03 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1b54 s SER 152 Cb 0.09 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1b54 s SER 152 CO 0.29 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1b54 n GLY 153 N -0.12 1.43 3.88 7.32 0.00 -1.26 -4.54 105.19 111.90 1b54 n GLY 153 Ca -0.10 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 1b54 n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b54 s LEU 154 N -0.50 4.33 0.00 0.99 1.43 -0.64 -4.43 118.68 119.86 1b54 s LEU 154 Ca 0.00 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1b54 s LEU 154 Cb 0.00 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.17 1b54 s LEU 154 CO 0.00 0.14 0.00 -0.46 0.23 0.00 0.00 176.35 176.26 1b54 n ASN 155 N 0.70 1.29 -4.66 2.29 6.94 -1.26 -0.60 115.26 119.97 1b54 n ASN 155 Ca -0.07 -0.08 -0.41 0.00 -0.02 0.00 0.00 54.58 54.00 1b54 n ASN 155 Cb 0.52 0.42 -0.05 0.00 -2.36 0.00 0.00 39.78 38.31 1b54 n ASN 155 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1b54 s ASN 156 N -0.68 6.75 0.21 0.53 2.47 -1.26 -4.97 114.94 117.99 1b54 s ASN 156 Ca 0.00 0.92 -0.08 0.00 0.42 0.00 0.00 52.86 54.12 1b54 s ASN 156 Cb 0.00 -2.38 0.17 0.00 -1.45 0.00 0.00 41.25 37.58 1b54 s ASN 156 CO 0.00 -0.34 1.81 -0.08 -3.72 0.00 0.00 177.10 174.77 1b54 h GLU 157 N 7.51 1.16 -0.28 0.43 4.81 -1.98 0.55 114.58 126.77 1b54 h GLU 157 Ca -0.30 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1b54 h GLU 157 Cb 1.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1b54 h GLU 157 CO 0.80 0.89 0.16 0.00 -0.73 0.00 0.00 179.01 180.12 1b54 h ALA 158 N 1.21 0.36 -0.25 2.92 0.00 -1.98 0.27 119.26 121.78 1b54 h ALA 158 Ca 0.28 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1b54 h ALA 158 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1b54 h ALA 158 CO -0.04 -0.11 -0.40 1.49 0.00 0.00 0.00 179.25 180.19 1b54 h GLU 159 N 0.34 0.59 -0.29 0.00 4.81 -1.93 -1.17 114.58 116.93 1b54 h GLU 159 Ca 0.10 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1b54 h GLU 159 Cb 0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1b54 h GLU 159 CO -0.02 0.89 0.08 0.82 -0.73 0.00 0.00 179.01 180.06 1b54 h ILE 160 N 0.49 1.21 -0.73 2.32 2.04 -0.58 -2.25 117.51 120.01 1b54 h ILE 160 Ca 0.04 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1b54 h ILE 160 Cb 0.91 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1b54 h ILE 160 CO 0.08 0.22 0.40 -0.26 0.00 0.00 0.00 178.15 178.60 1b54 h PHE 161 N 0.31 0.99 -0.12 1.37 -1.00 -0.32 -1.84 116.94 116.32 1b54 h PHE 161 Ca 0.09 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 1b54 h PHE 161 Cb 0.26 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 1b54 h PHE 161 CO 0.01 0.68 -0.25 1.49 -1.61 0.00 0.00 178.31 178.64 1b54 h GLU 162 N 1.02 0.21 -0.22 1.51 4.57 -0.97 -0.54 114.58 120.15 1b54 h GLU 162 Ca 0.26 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 58.20 1b54 h GLU 162 Cb 0.02 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1b54 h GLU 162 CO -0.04 0.45 -0.56 0.28 -1.18 0.00 0.00 179.01 177.96 1b54 h VAL 163 N 0.19 1.30 -0.52 0.32 2.07 -0.76 -2.91 116.25 115.93 1b54 h VAL 163 Ca 0.03 -1.77 -0.11 0.00 0.82 0.00 0.00 66.70 65.68 1b54 h VAL 163 Cb 0.55 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1b54 h VAL 163 CO 0.04 0.56 -0.10 0.40 0.02 0.00 0.00 177.57 178.49 1b54 h ILE 164 N 0.50 1.27 -0.82 4.57 1.08 -1.14 -2.71 117.51 120.25 1b54 h ILE 164 Ca -0.01 -1.25 0.07 0.00 -0.39 0.00 0.00 64.86 63.28 1b54 h ILE 164 Cb 1.17 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 35.87 1b54 h ILE 164 CO 0.12 0.44 0.50 -0.78 -0.69 0.00 0.00 178.15 177.74 1b54 h ASP 165 N 0.86 0.76 -0.56 1.72 3.58 -1.10 -2.14 116.42 119.55 1b54 h ASP 165 Ca 0.13 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.51 1b54 h ASP 165 Cb 0.67 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1b54 h ASP 165 CO 0.05 0.48 -0.02 0.15 -2.88 0.00 0.00 179.24 177.02 1b54 h PHE 166 N 0.89 1.09 -0.74 0.28 3.57 -1.36 -2.64 116.94 118.04 1b54 h PHE 166 Ca 0.37 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1b54 h PHE 166 Cb 0.20 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1b54 h PHE 166 CO -0.04 0.99 0.49 0.74 -2.23 0.00 0.00 178.31 178.25 1b54 h PHE 167 N 0.88 0.88 -0.19 0.41 0.04 -1.09 -0.93 116.94 116.94 1b54 h PHE 167 Ca 0.16 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1b54 h PHE 167 Cb 0.56 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1b54 h PHE 167 CO 0.04 0.52 0.00 1.28 -0.60 0.00 0.00 178.31 179.55 1b54 n LEU 168 N -4.45 1.64 -4.88 1.54 4.77 -0.90 -4.73 117.00 109.99 1b54 n LEU 168 Ca 0.09 -0.71 -0.30 0.00 -0.03 0.00 0.00 56.01 55.07 1b54 n LEU 168 Cb 0.10 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1b54 n LEU 168 CO 0.35 0.35 0.55 -0.94 -1.33 0.00 0.00 177.39 176.38 1b54 s SER 169 N -1.49 6.34 0.52 -1.43 1.04 -0.35 -4.98 113.70 113.36 1b54 s SER 169 Ca 0.31 1.18 0.31 0.00 0.48 0.00 0.00 55.95 58.23 1b54 s SER 169 Cb 0.16 -2.36 1.32 0.00 0.10 0.00 0.00 66.02 65.25 1b54 s SER 169 CO 0.25 -0.63 1.98 -0.33 0.98 0.00 0.00 173.24 175.48 1b54 h GLU 170 N 0.33 0.00 0.00 4.02 4.39 -1.91 -2.89 114.58 118.51 1b54 h GLU 170 Ca -0.46 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.14 1b54 h GLU 170 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1b54 h GLU 170 CO 0.62 0.08 -0.48 1.49 -1.16 0.00 0.00 179.01 179.57 1b54 h GLU 171 N 0.00 0.00 -5.16 2.33 4.81 -1.93 -3.37 114.58 111.26 1b54 h GLU 171 Ca -0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 1b54 h GLU 171 Cb 0.52 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.76 1b54 h GLU 171 CO 0.01 0.48 1.54 0.00 -0.73 0.00 0.00 179.01 180.31 1b54 n LYS 173 N 6.67 0.97 0.00 0.00 2.85 -1.26 -4.62 118.16 122.76 1b54 n LYS 173 Ca 0.38 -1.23 0.03 0.00 -1.05 0.00 0.00 58.31 56.45 1b54 n LYS 173 Cb 0.45 -1.25 -0.01 0.00 -0.65 0.00 0.00 35.03 33.57 1b54 n LYS 173 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1b54 n TYR 174 N 0.65 0.00 -4.30 5.58 4.01 -1.26 -4.85 117.16 116.99 1b54 n TYR 174 Ca 0.08 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.63 1b54 n TYR 174 Cb 0.33 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.20 1b54 n TYR 174 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1b54 s ILE 175 N -1.21 0.64 -0.10 -0.72 -4.36 -1.26 -1.40 121.20 112.79 1b54 s ILE 175 Ca 0.05 -0.29 0.01 0.00 -0.26 0.00 0.00 60.65 60.16 1b54 s ILE 175 Cb 0.06 -0.58 -0.02 0.00 1.25 0.00 0.00 42.46 43.17 1b54 s ILE 175 CO 0.20 0.21 -0.11 -0.75 0.24 0.00 0.00 174.94 174.72 1b54 s LYS 176 N 0.17 3.05 -0.15 0.37 2.20 0.13 -4.87 119.74 120.64 1b54 s LYS 176 Ca -0.02 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 1b54 s LYS 176 Cb -0.07 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1b54 s LYS 176 CO 0.00 0.42 1.32 -1.17 -0.36 0.00 0.00 175.35 175.56 1b54 s LEU 177 N -0.18 4.20 -0.19 5.43 2.96 -1.26 0.10 118.68 129.75 1b54 s LEU 177 Ca 0.01 1.78 -0.05 0.00 -0.22 0.00 0.00 54.13 55.64 1b54 s LEU 177 Cb -0.13 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 1b54 s LEU 177 CO 0.03 -0.79 -0.21 -3.20 -1.32 0.00 0.00 176.35 170.86 1b54 n ASN 178 N 6.69 1.86 0.00 3.68 2.85 0.27 -4.83 115.26 125.77 1b54 n ASN 178 Ca 0.14 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 1b54 n ASN 178 Cb 0.44 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 41.01 1b54 n ASN 178 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1b54 n GLY 179 N 2.13 1.79 3.55 8.20 0.00 -1.10 -1.64 105.19 118.12 1b54 n GLY 179 Ca -0.36 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 1b54 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b54 s LEU 180 N 0.00 2.89 0.00 0.99 1.02 0.76 -0.60 118.68 123.73 1b54 s LEU 180 Ca 0.00 -0.62 -0.03 0.00 0.02 0.00 0.00 54.13 53.50 1b54 s LEU 180 Cb 0.00 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.62 1b54 s LEU 180 CO 0.00 0.11 0.05 -0.32 0.02 0.00 0.00 176.35 176.20 1b54 s MET 181 N -2.81 0.27 -0.05 1.70 1.75 0.26 -0.80 119.30 119.63 1b54 s MET 181 Ca 0.24 -0.31 -0.14 0.00 -1.25 0.00 0.00 55.69 54.23 1b54 s MET 181 Cb -0.09 0.11 0.03 0.00 2.84 0.00 0.00 34.83 37.72 1b54 s MET 181 CO 0.14 -0.05 0.33 -0.08 -0.65 0.00 0.00 175.02 174.71 1b54 s THR 182 N -0.92 0.04 -2.59 10.11 -1.32 -1.09 -0.48 115.64 119.39 1b54 s THR 182 Ca -0.10 -0.31 0.27 0.00 -1.21 0.00 0.00 61.69 60.33 1b54 s THR 182 Cb -0.06 -0.58 0.46 0.00 -1.51 0.00 0.00 72.50 70.80 1b54 s THR 182 CO 0.00 -0.17 1.63 2.30 -2.21 0.00 0.00 174.62 176.16 1b54 n ILE 183 N 1.78 0.00 -4.52 5.08 -6.64 -1.26 -4.65 119.36 109.16 1b54 n ILE 183 Ca -0.19 -0.30 0.00 0.00 -1.77 0.00 0.00 62.75 60.49 1b54 n ILE 183 Cb 0.56 0.73 0.00 0.00 -1.44 0.00 0.00 39.64 39.49 1b54 n ILE 183 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1b54 n GLY 184 N 1.22 -0.28 3.45 3.28 0.00 -1.26 -4.95 105.19 106.65 1b54 n GLY 184 Ca 0.18 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 1b54 n GLY 184 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b54 s SER 185 N -4.00 2.34 -0.42 1.61 0.01 -1.26 -4.54 113.70 107.43 1b54 s SER 185 Ca 0.00 -1.41 0.07 0.00 1.31 0.00 0.00 55.95 55.92 1b54 s SER 185 Cb 0.00 -0.01 0.22 0.00 0.21 0.00 0.00 66.02 66.45 1b54 s SER 185 CO 0.00 -0.65 0.48 0.79 0.41 0.00 0.00 173.24 174.27 1b54 n TRP 186 N -0.70 -0.14 0.00 2.43 7.02 -1.26 -5.11 117.44 119.69 1b54 n TRP 186 Ca -0.03 -3.55 0.00 0.00 -1.02 0.00 0.00 57.50 52.90 1b54 n TRP 186 Cb 0.66 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 1b54 n TRP 186 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1b54 n GLU 195 N 1.82 0.00 -1.35 -0.99 0.28 -1.26 -5.28 120.64 113.85 1b54 n GLU 195 Ca 0.24 0.00 -0.60 0.00 -0.16 0.00 0.00 57.16 56.64 1b54 n GLU 195 Cb 0.50 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.26 1b54 n GLU 195 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1b54 n ASN 196 N 0.00 0.86 0.16 -1.84 5.15 -1.26 -4.85 115.26 113.48 1b54 n ASN 196 Ca 0.00 0.80 0.02 0.00 -0.60 0.00 0.00 54.58 54.80 1b54 n ASN 196 Cb 0.00 -0.87 0.34 0.00 -0.53 0.00 0.00 39.78 38.73 1b54 n ASN 196 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1b54 h ARG 197 N 7.60 0.09 -0.21 1.20 0.11 -1.99 -2.18 114.38 118.99 1b54 h ARG 197 Ca -0.19 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 59.79 1b54 h ARG 197 Cb 1.36 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.43 1b54 h ARG 197 CO 1.03 0.41 -0.12 -0.44 0.10 0.00 0.00 179.97 180.95 1b54 h ASP 198 N 0.08 0.47 0.21 0.08 3.32 -1.88 -0.78 116.42 117.91 1b54 h ASP 198 Ca 0.01 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 1b54 h ASP 198 Cb 0.62 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1b54 h ASP 198 CO 0.05 0.79 -0.35 -0.26 -1.72 0.00 0.00 179.24 177.74 1b54 h PHE 199 N 0.15 0.23 -0.53 4.55 0.04 -1.93 -2.02 116.94 117.43 1b54 h PHE 199 Ca 0.05 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1b54 h PHE 199 Cb 0.62 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1b54 h PHE 199 CO 0.07 0.54 0.04 0.00 -0.60 0.00 0.00 178.31 178.36 1b54 h ALA 200 N 1.46 0.71 -0.45 2.45 0.00 -1.19 -0.68 119.26 121.55 1b54 h ALA 200 Ca 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1b54 h ALA 200 Cb 0.71 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1b54 h ALA 200 CO 0.05 0.49 -0.10 1.15 0.00 0.00 0.00 179.25 180.84 1b54 h THR 201 N 0.78 1.26 -0.56 0.00 2.02 -0.86 -1.98 112.91 113.58 1b54 h THR 201 Ca 0.16 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.05 1b54 h THR 201 Cb 0.47 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1b54 h THR 201 CO 0.02 0.41 -0.06 0.25 0.37 0.00 0.00 175.52 176.50 1b54 h LEU 202 N 0.74 1.02 -1.24 2.58 6.46 -1.09 -1.93 115.31 121.85 1b54 h LEU 202 Ca 0.12 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1b54 h LEU 202 Cb 0.60 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1b54 h LEU 202 CO 0.04 1.11 0.35 0.58 -0.62 0.00 0.00 178.44 179.90 1b54 h VAL 203 N 0.91 1.19 -0.06 1.05 2.07 -0.82 -1.64 116.25 118.96 1b54 h VAL 203 Ca 0.15 -0.47 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 1b54 h VAL 203 Cb 0.62 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1b54 h VAL 203 CO 0.04 0.21 -0.65 -0.08 0.02 0.00 0.00 177.57 177.11 1b54 h GLU 204 N 0.88 0.23 -0.35 1.57 4.22 -1.12 -2.94 114.58 117.07 1b54 h GLU 204 Ca 0.23 -0.17 -0.14 0.00 0.08 0.00 0.00 59.36 59.35 1b54 h GLU 204 Cb 0.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1b54 h GLU 204 CO -0.04 0.79 -0.36 -1.49 -2.18 0.00 0.00 179.01 175.74 1b54 h TRP 205 N 0.16 0.96 -0.22 0.92 -0.00 -0.76 -2.19 115.95 114.83 1b54 h TRP 205 Ca -0.01 -0.27 -0.06 0.00 -0.00 0.00 0.00 58.89 58.54 1b54 h TRP 205 Cb 1.17 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 30.11 1b54 h TRP 205 CO 0.02 1.05 -0.14 -0.22 -0.00 0.00 0.00 178.44 179.14 1b54 h LYS 206 N 0.67 0.36 0.01 0.49 3.64 -1.25 -1.92 116.57 118.57 1b54 h LYS 206 Ca 0.06 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1b54 h LYS 206 Cb 0.91 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1b54 h LYS 206 CO 0.08 0.51 -0.63 0.87 -2.27 0.00 0.00 179.45 178.01 1b54 h LYS 207 N 0.33 0.41 -0.46 1.90 1.79 -1.38 0.64 116.57 119.81 1b54 h LYS 207 Ca 0.06 -0.45 -0.05 0.00 -2.18 0.00 0.00 60.65 58.03 1b54 h LYS 207 Cb 0.46 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1b54 h LYS 207 CO 0.03 1.12 0.09 0.87 -1.08 0.00 0.00 179.45 180.47 1b54 h LYS 208 N -0.10 0.70 0.09 3.15 1.57 -1.33 -1.11 116.57 119.53 1b54 h LYS 208 Ca -0.08 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 1b54 h LYS 208 Cb 1.34 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.56 1b54 h LYS 208 CO 0.12 0.65 -0.62 0.82 -0.57 0.00 0.00 179.45 179.86 1b54 h ILE 209 N 0.67 1.54 -0.43 1.86 2.04 -1.40 -2.54 117.51 119.26 1b54 h ILE 209 Ca 0.15 -2.39 0.02 0.00 1.00 0.00 0.00 64.86 63.64 1b54 h ILE 209 Cb 0.29 3.10 -0.02 0.00 -0.74 0.00 0.00 36.82 39.45 1b54 h ILE 209 CO 0.00 0.67 0.28 0.44 0.00 0.00 0.00 178.15 179.54 1b54 h ASP 210 N -0.43 0.42 -0.00 1.72 3.32 -0.77 0.13 116.42 120.80 1b54 h ASP 210 Ca -0.10 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1b54 h ASP 210 Cb 1.45 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 1b54 h ASP 210 CO 0.12 0.30 -0.01 0.00 -1.72 0.00 0.00 179.24 177.93 1b54 h ALA 211 N 1.75 0.01 -0.40 3.45 0.00 -1.26 0.04 119.26 122.85 1b54 h ALA 211 Ca 0.17 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1b54 h ALA 211 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1b54 h ALA 211 CO -0.04 -0.23 -0.35 -0.22 0.00 0.00 0.00 179.25 178.40 1b54 h LYS 212 N -0.50 0.94 -0.01 0.00 3.64 -1.00 -3.34 116.57 116.31 1b54 h LYS 212 Ca 0.00 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1b54 h LYS 212 Cb 0.52 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1b54 h LYS 212 CO 0.00 1.14 -0.42 1.19 -2.27 0.00 0.00 179.45 179.09 1b54 n PHE 213 N -4.07 0.00 -2.06 1.91 3.01 0.40 -4.99 117.46 111.66 1b54 n PHE 213 Ca -0.02 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.39 1b54 n PHE 213 Cb 0.53 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1b54 n PHE 213 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b54 n GLY 214 N 1.18 0.17 3.99 1.37 0.00 -0.01 -5.03 105.19 106.85 1b54 n GLY 214 Ca 0.05 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 1b54 n GLY 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b54 s THR 215 N -2.28 2.81 -0.40 2.61 -4.23 -1.12 -5.03 115.64 108.00 1b54 s THR 215 Ca 0.00 -0.78 0.11 0.00 -1.18 0.00 0.00 61.69 59.84 1b54 s THR 215 Cb 0.00 -3.01 0.35 0.00 1.34 0.00 0.00 72.50 71.18 1b54 s THR 215 CO 0.00 -0.00 0.76 -1.20 -0.54 0.00 0.00 174.62 173.63 1b54 n SER 216 N -2.16 1.35 -4.53 3.99 7.64 -1.26 -4.43 113.62 114.22 1b54 n SER 216 Ca 0.08 -3.10 -0.43 0.00 1.01 0.00 0.00 58.87 56.43 1b54 n SER 216 Cb 0.59 -0.61 -0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1b54 n SER 216 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1b54 n LEU 217 N 0.22 1.02 -4.81 -3.43 4.32 -1.26 -5.00 117.00 108.06 1b54 n LEU 217 Ca 0.26 1.04 -0.37 0.00 -0.02 0.00 0.00 56.01 56.92 1b54 n LEU 217 Cb 0.62 -1.21 -0.07 0.00 -1.62 0.00 0.00 43.42 41.15 1b54 n LEU 217 CO 0.23 -2.13 -0.09 -0.54 -1.22 0.00 0.00 177.39 173.64 1b54 s LYS 218 N -1.63 3.83 -0.12 3.23 1.02 -0.65 -4.90 119.74 120.51 1b54 s LYS 218 Ca 0.62 0.00 -0.07 0.00 0.02 0.00 0.00 55.97 56.54 1b54 s LYS 218 Cb -0.65 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 1b54 s LYS 218 CO 0.58 0.57 0.13 -0.51 -0.92 0.00 0.00 175.35 175.20 1b54 s LEU 219 N -0.49 4.34 -0.38 3.17 1.43 -1.26 -0.17 118.68 125.32 1b54 s LEU 219 Ca 0.16 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 1b54 s LEU 219 Cb -0.13 -2.06 0.11 0.00 0.03 0.00 0.00 46.19 44.14 1b54 s LEU 219 CO 0.05 0.39 0.11 -0.55 0.23 0.00 0.00 176.35 176.58 1b54 s SER 220 N -0.93 4.47 -0.04 2.29 0.15 0.02 -0.99 113.70 118.67 1b54 s SER 220 Ca 0.14 -2.26 -0.20 0.00 0.70 0.00 0.00 55.95 54.34 1b54 s SER 220 Cb -0.12 -1.45 0.04 0.00 -1.71 0.00 0.00 66.02 62.78 1b54 s SER 220 CO 0.04 -0.35 0.43 0.00 1.20 0.00 0.00 173.24 174.56 1b54 s MET 221 N 0.76 0.77 0.00 5.44 0.23 -0.53 -2.69 119.30 123.29 1b54 s MET 221 Ca 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 55.69 54.79 1b54 s MET 221 Cb -0.20 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.45 1b54 s MET 221 CO -0.09 -0.22 0.00 0.41 -2.03 0.00 0.00 175.02 173.09 1b54 n GLY 222 N 1.28 2.70 0.00 3.16 0.00 -1.26 -4.25 105.19 106.82 1b54 n GLY 222 Ca -0.20 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1b54 n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1b54 n MET 223 N 0.65 2.32 -0.32 1.61 2.81 -1.26 -0.23 117.12 122.69 1b54 n MET 223 Ca 0.00 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.98 1b54 n MET 223 Cb 0.00 0.00 0.26 0.00 -0.71 0.00 0.00 33.22 32.77 1b54 n MET 223 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1b54 h SER 224 N 0.00 0.66 0.70 7.83 0.02 -1.97 0.22 113.55 121.02 1b54 h SER 224 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1b54 h SER 224 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1b54 h SER 224 CO 0.00 0.27 -0.32 0.00 -1.14 0.00 0.00 176.83 175.64 1b54 n ALA 225 N -2.38 3.08 -2.05 3.77 0.00 -1.26 -4.47 120.51 117.20 1b54 n ALA 225 Ca 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 53.44 53.38 1b54 n ALA 225 Cb 0.48 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 1b54 n ALA 225 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1b54 n ASP 226 N -1.52 0.04 0.25 0.00 5.68 -0.94 -4.89 116.55 115.16 1b54 n ASP 226 Ca 0.06 -1.68 0.10 0.00 -0.50 0.00 0.00 54.79 52.77 1b54 n ASP 226 Cb 0.34 -0.12 0.65 0.00 -1.14 0.00 0.00 41.12 40.86 1b54 n ASP 226 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1b54 h PHE 227 N 0.10 0.00 -0.21 2.11 -0.00 -1.19 -2.12 116.94 115.62 1b54 h PHE 227 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.90 1b54 h PHE 227 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.26 1b54 h PHE 227 CO -0.03 0.14 0.06 0.00 -0.00 0.00 0.00 178.31 178.47 1b54 h ARG 228 N 0.00 0.33 -0.42 6.09 3.08 -1.90 -0.29 114.38 121.27 1b54 h ARG 228 Ca -0.00 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1b54 h ARG 228 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1b54 h ARG 228 CO 0.02 0.43 -0.15 1.49 -1.07 0.00 0.00 179.97 180.69 1b54 h GLU 229 N 0.16 0.85 -0.96 0.04 4.22 -1.89 -1.91 114.58 115.09 1b54 h GLU 229 Ca 0.07 -0.35 0.07 0.00 0.08 0.00 0.00 59.36 59.23 1b54 h GLU 229 Cb 0.24 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 1b54 h GLU 229 CO -0.00 0.98 0.62 0.00 -2.18 0.00 0.00 179.01 178.43 1b54 h ALA 230 N 0.84 1.47 -0.08 2.92 0.00 -1.26 0.23 119.26 123.38 1b54 h ALA 230 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1b54 h ALA 230 Cb 0.70 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1b54 h ALA 230 CO 0.05 0.37 -0.25 0.82 0.00 0.00 0.00 179.25 180.24 1b54 h ILE 231 N 1.09 1.22 0.00 0.00 2.04 -0.63 -1.75 117.51 119.48 1b54 h ILE 231 Ca 0.42 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1b54 h ILE 231 Cb 0.23 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1b54 h ILE 231 CO -0.17 0.30 0.00 0.03 0.00 0.00 0.00 178.15 178.31 1b54 h ARG 232 N 0.13 0.00 -0.74 2.37 3.08 0.11 -3.28 114.38 116.06 1b54 h ARG 232 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1b54 h ARG 232 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1b54 h ARG 232 CO 0.04 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.98 1b54 n GLN 233 N -3.04 2.83 0.00 0.04 6.02 0.27 -4.96 117.38 118.54 1b54 n GLN 233 Ca 0.04 -2.71 0.00 0.00 -0.01 0.00 0.00 57.00 54.32 1b54 n GLN 233 Cb 0.52 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1b54 n GLN 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b54 n GLY 234 N 1.64 0.94 3.68 1.08 0.00 -1.12 -4.95 105.19 106.46 1b54 n GLY 234 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1b54 n GLY 234 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b54 n THR 235 N -1.91 4.04 0.60 2.61 5.66 -0.72 -4.79 114.28 119.77 1b54 n THR 235 Ca 0.00 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.56 1b54 n THR 235 Cb 0.00 -1.37 -0.06 0.00 -1.55 0.00 0.00 70.33 67.35 1b54 n THR 235 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b54 n ALA 236 N -1.56 3.54 -3.64 1.79 0.00 -0.16 -4.88 120.51 115.60 1b54 n ALA 236 Ca 0.13 -0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1b54 n ALA 236 Cb 0.46 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1b54 n ALA 236 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1b54 s GLU 237 N -2.09 0.70 0.03 0.00 2.12 -0.81 -1.63 118.70 117.02 1b54 s GLU 237 Ca 0.06 1.15 0.06 0.00 0.36 0.00 0.00 54.97 56.59 1b54 s GLU 237 Cb 0.10 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.63 1b54 s GLU 237 CO 0.49 -0.14 -0.14 0.14 -0.54 0.00 0.00 175.26 175.07 1b54 s VAL 238 N 1.38 3.12 -0.30 3.70 -7.23 -0.42 -1.45 120.40 119.20 1b54 s VAL 238 Ca -0.08 -1.03 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1b54 s VAL 238 Cb -0.05 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.62 1b54 s VAL 238 CO -0.16 0.36 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.84 1b54 s ARG 239 N -1.44 2.23 -0.08 4.82 0.52 0.68 -1.02 118.95 124.67 1b54 s ARG 239 Ca 0.16 -1.40 0.03 0.00 -0.52 0.00 0.00 55.73 54.00 1b54 s ARG 239 Cb -0.11 -3.10 0.01 0.00 0.52 0.00 0.00 34.95 32.27 1b54 s ARG 239 CO 0.06 -0.66 -0.17 0.42 0.02 0.00 0.00 175.30 174.96 1b54 s ILE 240 N 1.15 1.54 0.06 1.52 1.01 -0.79 -4.01 121.20 121.69 1b54 s ILE 240 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1b54 s ILE 240 Cb -0.20 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1b54 s ILE 240 CO -0.03 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1b54 n GLY 241 N 3.60 0.01 0.28 6.18 0.00 -1.26 -2.04 105.19 111.95 1b54 n GLY 241 Ca -0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.84 1b54 n GLY 241 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1b54 h THR 242 N 0.00 0.28 0.00 2.61 2.02 -1.96 0.91 112.91 116.77 1b54 h THR 242 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1b54 h THR 242 Cb 0.00 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1b54 h THR 242 CO 0.00 0.00 -0.04 0.44 0.37 0.00 0.00 175.52 176.29 1b54 h ASP 243 N 0.03 0.00 0.06 4.18 5.19 -1.94 -2.66 116.42 121.27 1b54 h ASP 243 Ca 0.37 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.40 1b54 h ASP 243 Cb 0.60 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.06 1b54 h ASP 243 CO -0.73 0.04 -2.27 -0.38 -3.12 0.00 0.00 179.24 172.77 1b54 n ILE 244 N -3.43 1.60 0.95 0.35 5.41 0.19 -4.53 119.36 119.91 1b54 n ILE 244 Ca -0.02 -0.62 0.12 0.00 1.00 0.00 0.00 62.75 63.23 1b54 n ILE 244 Cb 0.17 -1.50 0.31 0.00 -0.71 0.00 0.00 39.64 37.90 1b54 n ILE 244 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1b54 n PHE 245 N -3.32 0.24 0.82 1.39 3.72 -0.47 -4.46 117.46 115.37 1b54 n PHE 245 Ca -0.39 -0.12 0.07 0.00 -0.05 0.00 0.00 57.45 56.95 1b54 n PHE 245 Cb 1.02 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.95 1b54 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12