#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a59 s LYS 14 N 0.00 1.59 -0.47 3.23 -0.14 -1.26 -4.47 119.74 118.22 2a59 s LYS 14 Ca 0.00 -0.85 0.06 0.00 -1.36 0.00 0.00 55.97 53.82 2a59 s LYS 14 Cb 0.00 -1.62 0.22 0.00 -1.68 0.00 0.00 37.83 34.76 2a59 s LYS 14 CO 0.00 0.43 0.52 0.41 -0.76 0.00 0.00 175.35 175.95 2a59 n GLY 15 N 2.22 3.14 0.25 -3.33 0.00 -0.04 -4.94 105.19 102.49 2a59 n GLY 15 Ca -0.16 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.11 2a59 n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a59 h PRO 16 N 4.53 0.08 -0.01 1.61 0.11 -1.76 -2.47 132.00 134.09 2a59 h PRO 16 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2a59 h PRO 16 Cb 0.84 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2a59 h PRO 16 CO 0.53 0.12 -0.28 0.39 -0.21 0.00 0.00 178.00 178.56 2a59 n GLU 17 N -4.45 1.01 -2.22 1.05 1.02 -1.26 -4.41 120.64 111.39 2a59 n GLU 17 Ca -0.02 -0.66 -0.41 0.00 -0.02 0.00 0.00 57.16 56.05 2a59 n GLU 17 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2a59 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a59 s LEU 18 N -2.44 4.46 -0.27 -4.62 1.43 -0.93 -5.02 118.68 111.29 2a59 s LEU 18 Ca 0.24 2.55 -0.04 0.00 -1.03 0.00 0.00 54.13 55.86 2a59 s LEU 18 Cb 0.19 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.79 2a59 s LEU 18 CO 0.51 -0.44 0.00 -0.13 0.23 0.00 0.00 176.35 176.53 2a59 s ARG 19 N -1.50 2.94 -0.06 1.70 0.52 -1.26 -4.74 118.95 116.54 2a59 s ARG 19 Ca 0.49 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 2a59 s ARG 19 Cb -0.37 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 2a59 s ARG 19 CO 0.48 -0.42 -0.13 0.42 0.02 0.00 0.00 175.30 175.67 2a59 s ILE 20 N 1.40 3.15 -0.07 1.52 1.09 -0.60 -0.13 121.20 127.56 2a59 s ILE 20 Ca 0.01 -0.68 0.01 0.00 -1.10 0.00 0.00 60.65 58.89 2a59 s ILE 20 Cb -0.17 -2.25 -0.03 0.00 -1.06 0.00 0.00 42.46 38.95 2a59 s ILE 20 CO -0.01 0.58 -0.08 -0.22 -0.10 0.00 0.00 174.94 175.11 2a59 s LEU 21 N -0.58 3.07 -0.14 2.97 2.96 -0.64 -1.40 118.68 124.91 2a59 s LEU 21 Ca 0.08 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2a59 s LEU 21 Cb -0.11 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.94 2a59 s LEU 21 CO 0.01 0.34 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.66 2a59 s ILE 22 N -0.65 1.22 -0.16 6.68 1.01 -0.03 -0.85 121.20 128.43 2a59 s ILE 22 Ca 0.10 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2a59 s ILE 22 Cb -0.11 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.09 2a59 s ILE 22 CO 0.02 0.30 -0.16 -0.69 0.00 0.00 0.00 174.94 174.40 2a59 s VAL 23 N 1.61 2.56 0.11 2.92 1.01 -0.74 -0.87 120.40 127.01 2a59 s VAL 23 Ca 0.03 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2a59 s VAL 23 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2a59 s VAL 23 CO -0.09 0.52 -0.14 -1.38 0.00 0.00 0.00 175.10 174.02 2a59 s HIS 24 N 0.85 1.35 0.76 5.22 -3.43 -1.05 -0.90 115.29 118.09 2a59 s HIS 24 Ca -0.05 -0.55 -0.05 0.00 -0.80 0.00 0.00 55.06 53.61 2a59 s HIS 24 Cb -0.15 -0.72 0.13 0.00 -1.43 0.00 0.00 32.58 30.41 2a59 s HIS 24 CO -0.01 0.12 1.05 0.00 -2.00 0.00 0.00 174.74 173.90 2a59 s ALA 25 N -2.06 3.35 -0.73 -1.38 0.00 -0.46 -0.78 121.76 119.69 2a59 s ALA 25 Ca 0.07 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.61 2a59 s ALA 25 Cb -0.05 -2.24 0.11 0.00 0.00 0.00 0.00 23.12 20.94 2a59 s ALA 25 CO 0.03 -1.59 0.91 0.54 0.00 0.00 0.00 175.76 175.65 2a59 n ARG 26 N -3.00 1.26 -2.66 0.00 1.74 0.14 -4.77 116.66 109.36 2a59 n ARG 26 Ca 0.14 -1.32 -0.40 0.00 -0.77 0.00 0.00 57.85 55.50 2a59 n ARG 26 Cb 0.60 -1.15 -0.05 0.00 -1.02 0.00 0.00 32.46 30.84 2a59 n ARG 26 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2a59 s TYR 27 N -0.76 3.85 -1.19 -1.55 1.51 -1.21 -3.77 117.35 114.22 2a59 s TYR 27 Ca 0.11 1.84 -0.02 0.00 -1.01 0.00 0.00 57.07 57.99 2a59 s TYR 27 Cb 0.06 -3.08 -0.01 0.00 -0.11 0.00 0.00 41.96 38.82 2a59 s TYR 27 CO 0.09 0.11 0.92 0.09 -1.11 0.00 0.00 175.55 175.65 2a59 n ASN 28 N 1.52 -2.71 0.13 2.29 3.02 -1.26 -4.55 115.26 113.71 2a59 n ASN 28 Ca -0.01 -0.68 0.14 0.00 -0.03 0.00 0.00 54.58 54.00 2a59 n ASN 28 Cb 0.46 -4.89 0.68 0.00 -0.61 0.00 0.00 39.78 35.42 2a59 n ASN 28 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2a59 h LEU 29 N -1.76 0.00 -1.73 3.41 5.85 -1.93 -1.00 115.31 118.16 2a59 h LEU 29 Ca -0.60 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.17 2a59 h LEU 29 Cb 1.34 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2a59 h LEU 29 CO 0.50 0.00 0.28 1.56 -0.34 0.00 0.00 178.44 180.44 2a59 h GLN 30 N 0.00 0.33 0.02 1.25 1.08 -1.93 -1.74 115.11 114.12 2a59 h GLN 30 Ca 0.13 -0.02 -0.32 0.00 -1.45 0.00 0.00 58.65 56.99 2a59 h GLN 30 Cb 0.52 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 2a59 h GLN 30 CO -0.00 0.22 -1.88 0.00 -0.95 0.00 0.00 178.83 176.22 2a59 n ALA 31 N -2.52 1.38 -0.10 3.87 0.00 -0.43 -4.45 120.51 118.26 2a59 n ALA 31 Ca 0.05 -0.82 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 2a59 n ALA 31 Cb 0.23 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 2a59 n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2a59 h ILE 32 N 0.01 1.30 -0.01 0.00 2.04 -0.86 -3.20 117.51 116.78 2a59 h ILE 32 Ca -0.36 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.30 2a59 h ILE 32 Cb 2.05 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 39.59 2a59 h ILE 32 CO 0.07 0.39 -0.19 -0.33 0.00 0.00 0.00 178.15 178.09 2a59 h GLU 33 N 0.34 -0.29 -0.85 2.37 5.08 -1.55 -1.23 114.58 118.44 2a59 h GLU 33 Ca 0.06 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 2a59 h GLU 33 Cb 0.66 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2a59 h GLU 33 CO 0.04 -0.19 0.55 -1.35 -1.00 0.00 0.00 179.01 177.06 2a59 h PRO 34 N -0.30 0.77 -0.04 2.33 0.11 -1.78 -0.89 132.00 132.20 2a59 h PRO 34 Ca 0.06 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 2a59 h PRO 34 Cb 0.38 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 2a59 h PRO 34 CO -0.18 0.51 0.02 -0.07 -0.21 0.00 0.00 178.00 178.06 2a59 h LEU 35 N 0.79 0.06 -0.06 2.35 3.38 -1.38 0.22 115.31 120.66 2a59 h LEU 35 Ca 0.40 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2a59 h LEU 35 Cb 0.46 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2a59 h LEU 35 CO -0.16 0.20 0.04 0.58 0.09 0.00 0.00 178.44 179.19 2a59 h VAL 36 N -0.09 1.02 -0.23 1.22 2.07 -0.71 -1.19 116.25 118.34 2a59 h VAL 36 Ca 0.01 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2a59 h VAL 36 Cb 0.16 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 2a59 h VAL 36 CO -0.00 0.02 -0.28 0.11 0.02 0.00 0.00 177.57 177.43 2a59 h LYS 37 N 0.09 -0.29 -0.57 1.57 6.56 -1.06 0.62 116.57 123.48 2a59 h LYS 37 Ca 0.02 0.02 0.08 0.00 -1.06 0.00 0.00 60.65 59.71 2a59 h LYS 37 Cb -0.01 0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 31.65 2a59 h LYS 37 CO -0.01 -0.19 0.23 0.78 -2.06 0.00 0.00 179.45 178.20 2a59 h GLY 38 N -0.30 0.80 1.00 3.86 0.00 -0.71 0.16 103.07 107.88 2a59 h GLY 38 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2a59 h GLY 38 CO -0.40 0.03 -0.20 0.00 0.00 0.00 0.00 176.54 175.96 2a59 h ALA 39 N 1.37 -0.57 0.46 3.60 0.00 -0.49 -1.33 119.26 122.29 2a59 h ALA 39 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2a59 h ALA 39 Cb 0.29 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2a59 h ALA 39 CO -0.25 -0.82 -0.29 0.28 0.00 0.00 0.00 179.25 178.16 2a59 h VAL 40 N -0.58 0.39 -0.54 0.00 2.07 -0.49 -2.18 116.25 114.92 2a59 h VAL 40 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.56 2a59 h VAL 40 Cb 0.44 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 2a59 h VAL 40 CO 0.10 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 177.47 2a59 h GLU 41 N -0.72 0.24 -0.28 1.57 5.08 -0.70 -1.60 114.58 118.17 2a59 h GLU 41 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2a59 h GLU 41 Cb 0.60 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2a59 h GLU 41 CO 0.04 0.16 0.18 1.15 -1.00 0.00 0.00 179.01 179.54 2a59 h THR 42 N 0.25 1.06 -0.35 1.13 2.02 -1.14 0.21 112.91 116.09 2a59 h THR 42 Ca 0.27 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.37 2a59 h THR 42 Cb 0.38 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2a59 h THR 42 CO -0.35 0.07 0.13 0.24 0.37 0.00 0.00 175.52 175.97 2a59 h MET 43 N 0.37 0.27 0.69 6.66 2.86 -0.88 0.28 114.93 125.19 2a59 h MET 43 Ca 0.10 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2a59 h MET 43 Cb -0.03 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.57 2a59 h MET 43 CO -0.03 0.18 -0.33 0.82 1.06 0.00 0.00 176.91 178.61 2a59 h ILE 44 N 0.28 0.06 -0.43 -1.22 2.04 -1.07 -1.10 117.51 116.07 2a59 h ILE 44 Ca 0.16 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.57 2a59 h ILE 44 Cb 0.12 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2a59 h ILE 44 CO -0.15 0.01 -0.29 -0.33 0.00 0.00 0.00 178.15 177.38 2a59 h GLU 45 N -1.22 0.96 0.00 2.37 5.08 -0.57 -2.41 114.58 118.78 2a59 h GLU 45 Ca -0.10 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 2a59 h GLU 45 Cb 0.73 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2a59 h GLU 45 CO 0.16 1.12 -1.61 1.63 -1.00 0.00 0.00 179.01 179.30 2a59 n LYS 46 N -4.10 0.64 0.00 2.33 4.76 0.98 -4.55 118.16 118.22 2a59 n LYS 46 Ca -0.01 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2a59 n LYS 46 Cb 0.50 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2a59 n LYS 46 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2a59 n HIS 47 N -2.53 0.00 -2.91 2.13 8.25 -0.48 -4.79 115.22 114.90 2a59 n HIS 47 Ca -0.06 -0.32 -0.22 0.00 -0.26 0.00 0.00 57.72 56.87 2a59 n HIS 47 Cb 0.65 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.75 2a59 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2a59 n ASP 48 N -0.32 -6.07 -4.79 0.41 10.43 -0.91 -0.86 116.55 114.45 2a59 n ASP 48 Ca 0.00 -0.24 -0.37 0.00 2.57 0.00 0.00 54.79 56.75 2a59 n ASP 48 Cb 0.21 -4.91 -0.06 0.00 1.84 0.00 0.00 41.12 38.19 2a59 n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2a59 s VAL 49 N -3.15 4.30 -0.13 2.53 1.01 -0.84 -3.54 120.40 120.58 2a59 s VAL 49 Ca 0.25 1.71 -0.20 0.00 0.00 0.00 0.00 61.98 63.73 2a59 s VAL 49 Cb -0.11 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2a59 s VAL 49 CO 0.31 0.23 0.58 -0.54 0.00 0.00 0.00 175.10 175.68 2a59 s LYS 50 N -1.86 4.32 0.33 2.72 1.02 -1.26 -4.23 119.74 120.77 2a59 s LYS 50 Ca 0.46 0.60 0.11 0.00 0.02 0.00 0.00 55.97 57.16 2a59 s LYS 50 Cb -0.19 -3.49 0.99 0.00 -0.52 0.00 0.00 37.83 34.62 2a59 s LYS 50 CO 0.24 -0.00 1.66 1.25 -0.92 0.00 0.00 175.35 177.58 2a59 h LEU 51 N 7.24 0.41 -1.81 3.17 6.46 -1.95 0.79 115.31 129.63 2a59 h LEU 51 Ca -0.38 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 2a59 h LEU 51 Cb 1.17 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 41.26 2a59 h LEU 51 CO 0.76 -0.13 -0.07 -0.33 -0.62 0.00 0.00 178.44 178.06 2a59 h GLU 52 N 0.31 0.00 -0.52 1.25 3.07 -2.00 -2.68 114.58 114.01 2a59 h GLU 52 Ca 0.69 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 2a59 h GLU 52 Cb 1.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 2a59 h GLU 52 CO -0.61 0.07 0.00 0.09 -1.40 0.00 0.00 179.01 177.15 2a59 n ASN 53 N -3.28 2.77 -4.13 1.42 5.03 0.28 -4.79 115.26 112.56 2a59 n ASN 53 Ca -0.01 -2.14 -0.33 0.00 0.87 0.00 0.00 54.58 52.98 2a59 n ASN 53 Cb 0.26 -0.38 -0.15 0.00 -1.02 0.00 0.00 39.78 38.50 2a59 n ASN 53 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2a59 s ILE 54 N -1.56 2.42 -0.06 2.41 1.01 -1.01 -1.56 121.20 122.85 2a59 s ILE 54 Ca 0.31 -1.27 -0.09 0.00 0.00 0.00 0.00 60.65 59.61 2a59 s ILE 54 Cb 0.18 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 2a59 s ILE 54 CO 0.18 0.17 0.24 -1.81 0.00 0.00 0.00 174.94 173.72 2a59 s ASP 55 N 1.23 6.52 -0.23 3.58 1.01 -0.50 -5.01 116.67 123.27 2a59 s ASP 55 Ca -0.03 0.61 0.00 0.00 0.71 0.00 0.00 52.55 53.85 2a59 s ASP 55 Cb -0.17 -2.12 0.06 0.00 1.01 0.00 0.00 42.92 41.70 2a59 s ASP 55 CO -0.06 0.35 -0.03 -0.63 0.21 0.00 0.00 175.17 175.00 2a59 s ILE 56 N -1.12 1.34 0.40 0.77 1.01 -1.26 -0.85 121.20 121.49 2a59 s ILE 56 Ca 0.21 -1.13 0.08 0.00 0.00 0.00 0.00 60.65 59.80 2a59 s ILE 56 Cb -0.13 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 2a59 s ILE 56 CO 0.10 -0.15 0.37 -1.61 0.00 0.00 0.00 174.94 173.64 2a59 s GLU 57 N 1.48 2.59 0.07 2.79 0.41 -0.05 -5.00 118.70 120.99 2a59 s GLU 57 Ca -0.04 -1.47 -0.06 0.00 -0.41 0.00 0.00 54.97 52.99 2a59 s GLU 57 Cb -0.18 -2.42 -0.01 0.00 -1.78 0.00 0.00 34.13 29.73 2a59 s GLU 57 CO -0.07 -0.13 0.12 -1.54 -0.49 0.00 0.00 175.26 173.15 2a59 s SER 58 N -4.11 0.22 0.10 -0.19 1.04 -1.26 -2.52 113.70 106.98 2a59 s SER 58 Ca 0.47 -0.73 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 2a59 s SER 58 Cb -0.04 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2a59 s SER 58 CO 0.28 -0.67 -0.00 0.68 0.98 0.00 0.00 173.24 174.50 2a59 s VAL 59 N -3.75 0.31 0.02 5.02 -7.23 0.04 -4.90 120.40 109.91 2a59 s VAL 59 Ca 0.04 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 2a59 s VAL 59 Cb 0.05 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 2a59 s VAL 59 CO -0.10 -0.74 1.10 -0.65 -0.31 0.00 0.00 175.10 174.40 2a59 h PRO 60 N 2.98 -0.16 -5.14 4.82 0.11 -1.94 -1.86 132.00 130.81 2a59 h PRO 60 Ca -0.35 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.24 2a59 h PRO 60 Cb 1.17 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 2a59 h PRO 60 CO 0.63 -0.10 -0.56 0.20 -0.21 0.00 0.00 178.00 177.96 2a59 s GLY 61 N -1.21 2.40 0.52 -0.55 0.00 -1.26 -0.69 107.32 106.53 2a59 s GLY 61 Ca -0.03 -1.54 0.23 0.00 0.00 0.00 0.00 44.72 43.38 2a59 s GLY 61 CO 0.11 -1.86 2.01 1.76 0.00 0.00 0.00 173.10 175.13 2a59 h SER 62 N 1.90 0.02 -0.53 1.64 0.02 -1.92 -0.71 113.55 113.98 2a59 h SER 62 Ca -0.39 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2a59 h SER 62 Cb 1.26 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 2a59 h SER 62 CO 0.64 0.01 0.35 -0.25 -1.14 0.00 0.00 176.83 176.45 2a59 h TRP 63 N 0.03 0.63 0.00 3.45 2.91 -1.96 -1.78 115.95 119.22 2a59 h TRP 63 Ca 0.22 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.26 2a59 h TRP 63 Cb 0.86 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 2a59 h TRP 63 CO -0.00 0.38 0.00 0.39 -1.03 0.00 0.00 178.44 178.18 2a59 n GLU 64 N -4.46 0.11 0.02 2.65 4.71 -0.28 -4.22 120.64 119.17 2a59 n GLU 64 Ca 0.05 0.10 -0.14 0.00 -0.01 0.00 0.00 57.16 57.17 2a59 n GLU 64 Cb 0.09 -1.63 -0.08 0.00 -1.01 0.00 0.00 31.44 28.81 2a59 n GLU 64 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2a59 h LEU 65 N 0.00 -1.48 -0.72 -4.62 5.85 -1.35 0.39 115.31 113.38 2a59 h LEU 65 Ca 0.00 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2a59 h LEU 65 Cb 0.58 0.58 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 2a59 h LEU 65 CO 0.00 -0.47 0.45 -0.65 -0.34 0.00 0.00 178.44 177.43 2a59 h PRO 66 N -0.57 0.84 -0.46 5.25 0.11 -1.77 -0.67 132.00 134.73 2a59 h PRO 66 Ca 0.05 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 2a59 h PRO 66 Cb 0.67 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 2a59 h PRO 66 CO -0.39 0.56 0.01 1.96 -0.21 0.00 0.00 178.00 179.93 2a59 h GLN 67 N 0.87 0.82 -0.30 1.05 4.20 -1.71 -0.91 115.11 119.13 2a59 h GLN 67 Ca 0.29 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2a59 h GLN 67 Cb 0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2a59 h GLN 67 CO -0.12 0.86 0.15 0.78 -0.67 0.00 0.00 178.83 179.83 2a59 h GLY 68 N 0.67 0.45 1.00 3.46 0.00 0.06 -1.69 103.07 107.01 2a59 h GLY 68 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2a59 h GLY 68 CO 0.02 0.21 0.31 -2.22 0.00 0.00 0.00 176.54 174.87 2a59 h ILE 69 N 0.35 1.14 -0.50 2.60 2.04 -0.99 -1.96 117.51 120.18 2a59 h ILE 69 Ca 0.10 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2a59 h ILE 69 Cb 0.10 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2a59 h ILE 69 CO -0.01 0.14 0.32 -0.09 0.00 0.00 0.00 178.15 178.50 2a59 h ARG 70 N 0.66 0.67 -0.13 2.37 2.43 -1.00 0.81 114.38 120.20 2a59 h ARG 70 Ca 0.18 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2a59 h ARG 70 Cb -0.05 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2a59 h ARG 70 CO -0.04 0.47 0.06 0.00 -1.51 0.00 0.00 179.97 178.96 2a59 h ALA 71 N 1.16 0.15 -0.68 2.80 0.00 -1.08 -2.49 119.26 119.12 2a59 h ALA 71 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2a59 h ALA 71 Cb -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2a59 h ALA 71 CO -0.04 -0.38 0.26 0.77 0.00 0.00 0.00 179.25 179.86 2a59 h SER 72 N 0.14 0.96 -0.47 0.00 0.02 -1.03 -2.23 113.55 110.94 2a59 h SER 72 Ca 0.05 -0.18 0.11 0.00 -0.84 0.00 0.00 61.79 60.93 2a59 h SER 72 Cb 0.00 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 2a59 h SER 72 CO -0.03 0.88 0.33 0.40 -1.14 0.00 0.00 176.83 177.26 2a59 h ILE 73 N 0.98 0.84 0.09 3.27 1.08 -0.61 -1.22 117.51 121.94 2a59 h ILE 73 Ca 0.23 -0.06 -0.29 0.00 -0.39 0.00 0.00 64.86 64.35 2a59 h ILE 73 Cb 0.23 0.67 0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2a59 h ILE 73 CO -0.02 0.03 -1.20 0.00 -0.69 0.00 0.00 178.15 176.27 2a59 h ALA 74 N 1.76 0.04 0.13 1.87 0.00 -0.97 -3.38 119.26 118.72 2a59 h ALA 74 Ca 0.22 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2a59 h ALA 74 Cb 0.66 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2a59 h ALA 74 CO -0.03 0.71 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 2a59 h ARG 75 N 0.29 -0.17 0.00 0.00 2.47 -0.72 -3.47 114.38 112.78 2a59 h ARG 75 Ca -0.17 0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.38 2a59 h ARG 75 Cb 1.87 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 30.21 2a59 h ARG 75 CO 0.23 -0.11 -0.08 0.09 0.56 0.00 0.00 179.97 180.65 2a59 n ASN 76 N -2.54 1.52 -4.29 7.04 3.02 -0.72 -5.11 115.26 114.17 2a59 n ASN 76 Ca -0.02 -1.60 -0.33 0.00 -0.03 0.00 0.00 54.58 52.60 2a59 n ASN 76 Cb 0.07 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.07 2a59 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a59 s THR 77 N -0.83 2.64 0.11 3.41 2.01 -1.26 -4.62 115.64 117.09 2a59 s THR 77 Ca 0.10 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.36 2a59 s THR 77 Cb -0.01 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2a59 s THR 77 CO 0.07 0.53 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.09 2a59 s TYR 78 N 0.54 1.25 -0.14 4.92 2.02 -1.26 -4.91 117.35 119.77 2a59 s TYR 78 Ca -0.11 -0.59 0.18 0.00 -0.37 0.00 0.00 57.07 56.18 2a59 s TYR 78 Cb -0.16 -0.67 -0.10 0.00 -0.40 0.00 0.00 41.96 40.64 2a59 s TYR 78 CO 0.04 0.08 0.91 -0.44 -1.57 0.00 0.00 175.55 174.58 2a59 h ASP 79 N 3.56 0.00 -4.71 2.29 5.19 -0.91 -3.48 116.42 118.36 2a59 h ASP 79 Ca -0.39 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.05 2a59 h ASP 79 Cb 1.19 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.53 2a59 h ASP 79 CO 0.51 0.48 0.35 0.00 -3.12 0.00 0.00 179.24 177.46 2a59 s ALA 80 N -3.00 -1.78 0.03 3.45 0.00 -1.23 -4.24 121.76 114.99 2a59 s ALA 80 Ca -0.02 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.07 2a59 s ALA 80 Cb 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 2a59 s ALA 80 CO 0.80 -0.53 -0.07 0.54 0.00 0.00 0.00 175.76 176.50 2a59 s VAL 81 N -2.26 0.53 -0.16 0.00 0.11 -0.33 -1.62 120.40 116.66 2a59 s VAL 81 Ca -0.02 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2a59 s VAL 81 Cb -0.01 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 2a59 s VAL 81 CO -0.02 -0.19 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.75 2a59 s ILE 82 N -0.92 2.37 -0.28 7.04 1.01 -0.03 -0.22 121.20 130.18 2a59 s ILE 82 Ca -0.05 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 2a59 s ILE 82 Cb -0.07 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 2a59 s ILE 82 CO 0.00 0.52 0.34 -0.83 0.00 0.00 0.00 174.94 174.98 2a59 s GLY 83 N 0.99 1.89 -0.12 6.18 0.00 -0.46 -1.79 107.32 114.01 2a59 s GLY 83 Ca -0.02 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.84 2a59 s GLY 83 CO -0.04 0.92 -0.22 -0.42 0.00 0.00 0.00 173.10 173.34 2a59 s ILE 84 N 2.01 2.00 0.16 0.90 1.01 -0.08 0.52 121.20 127.72 2a59 s ILE 84 Ca 0.13 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.60 2a59 s ILE 84 Cb -0.16 -1.76 0.06 0.00 0.01 0.00 0.00 42.46 40.62 2a59 s ILE 84 CO 0.10 0.54 0.58 -0.83 0.00 0.00 0.00 174.94 175.34 2a59 s GLY 85 N 0.63 -0.57 -0.14 6.18 0.00 -0.60 -1.35 107.32 111.47 2a59 s GLY 85 Ca -0.12 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.00 2a59 s GLY 85 CO 0.03 0.10 -0.02 0.14 0.00 0.00 0.00 173.10 173.35 2a59 s VAL 86 N -3.76 0.75 -0.17 1.40 1.01 -1.26 -1.35 120.40 117.02 2a59 s VAL 86 Ca 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2a59 s VAL 86 Cb -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2a59 s VAL 86 CO -0.12 0.10 -0.04 -0.76 0.00 0.00 0.00 175.10 174.28 2a59 s LEU 87 N 1.79 3.14 -0.08 3.92 1.43 0.29 -4.80 118.68 124.37 2a59 s LEU 87 Ca 0.02 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2a59 s LEU 87 Cb -0.15 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2a59 s LEU 87 CO -0.07 0.11 -0.19 -0.63 0.23 0.00 0.00 176.35 175.80 2a59 s ILE 88 N 0.69 2.59 0.19 -0.59 1.01 -1.26 -1.39 121.20 122.44 2a59 s ILE 88 Ca -0.02 -0.87 -0.33 0.00 0.00 0.00 0.00 60.65 59.44 2a59 s ILE 88 Cb -0.14 -2.01 -0.13 0.00 0.01 0.00 0.00 42.46 40.19 2a59 s ILE 88 CO 0.02 0.56 1.61 1.17 0.00 0.00 0.00 174.94 178.30 2a59 n LYS 89 N 2.96 2.37 0.00 2.79 0.00 -0.55 -4.85 118.16 120.89 2a59 n LYS 89 Ca -0.18 0.85 0.00 0.00 0.00 0.00 0.00 58.31 58.99 2a59 n LYS 89 Cb 0.52 -2.64 0.00 0.00 0.00 0.00 0.00 35.03 32.91 2a59 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a59 n GLY 90 N 3.38 3.42 0.05 3.14 0.00 -1.26 -4.83 105.19 109.08 2a59 n GLY 90 Ca 0.16 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.43 2a59 n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a59 n SER 91 N 0.00 0.63 -2.89 1.61 7.64 -1.26 -4.95 113.62 114.40 2a59 n SER 91 Ca 0.00 -0.09 -0.08 0.00 1.01 0.00 0.00 58.87 59.71 2a59 n SER 91 Cb 0.00 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2a59 n SER 91 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2a59 n THR 92 N -2.05 0.00 1.32 0.44 -2.24 -1.26 -5.01 114.28 105.49 2a59 n THR 92 Ca 0.02 -0.67 0.11 0.00 -2.27 0.00 0.00 64.05 61.24 2a59 n THR 92 Cb 0.45 -0.44 0.40 0.00 -2.10 0.00 0.00 70.33 68.64 2a59 n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2a59 n MET 93 N -0.99 1.65 -0.19 -0.78 0.00 -1.26 -4.30 117.12 111.25 2a59 n MET 93 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 57.70 56.72 2a59 n MET 93 Cb 0.19 -1.39 0.06 0.00 0.00 0.00 0.00 33.22 32.09 2a59 n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2a59 h HIS 94 N 1.98 -0.24 -0.24 2.03 -0.00 -1.97 -2.29 115.15 114.42 2a59 h HIS 94 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.46 2a59 h HIS 94 Cb 0.43 0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.99 2a59 h HIS 94 CO 0.09 -0.22 -0.03 0.35 -0.00 0.00 0.00 177.93 178.12 2a59 h PHE 95 N 0.03 -0.07 -0.08 5.26 3.57 -1.89 -1.07 116.94 122.69 2a59 h PHE 95 Ca 0.28 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.82 2a59 h PHE 95 Cb 0.44 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2a59 h PHE 95 CO -0.44 -0.07 -0.05 0.93 -2.23 0.00 0.00 178.31 176.45 2a59 h GLU 96 N 0.04 -0.04 -0.39 1.11 3.07 -1.73 -1.38 114.58 115.25 2a59 h GLU 96 Ca 0.11 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.83 2a59 h GLU 96 Cb 0.16 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2a59 h GLU 96 CO -0.22 -0.03 -0.33 1.88 -1.40 0.00 0.00 179.01 178.91 2a59 h TYR 97 N -0.04 1.09 -0.35 4.33 0.05 -1.31 -2.24 116.97 118.50 2a59 h TYR 97 Ca 0.05 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.48 2a59 h TYR 97 Cb 0.12 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 2a59 h TYR 97 CO -0.16 1.13 0.08 0.82 -1.05 0.00 0.00 178.16 178.98 2a59 h ILE 98 N 0.73 1.22 -0.10 -2.88 2.04 -1.17 -2.06 117.51 115.29 2a59 h ILE 98 Ca 0.07 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.21 2a59 h ILE 98 Cb 0.92 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 2a59 h ILE 98 CO 0.09 0.26 -0.11 0.28 0.00 0.00 0.00 178.15 178.66 2a59 h SER 99 N 0.41 -0.34 -0.59 1.72 0.02 -1.20 0.60 113.55 114.16 2a59 h SER 99 Ca 0.11 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2a59 h SER 99 Cb 0.30 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2a59 h SER 99 CO 0.00 -0.15 0.38 -0.08 -1.14 0.00 0.00 176.83 175.85 2a59 h GLU 100 N -0.14 0.78 -0.50 3.45 4.81 -1.37 -1.57 114.58 120.04 2a59 h GLU 100 Ca 0.08 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2a59 h GLU 100 Cb 0.25 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2a59 h GLU 100 CO -0.19 0.52 -0.10 0.00 -0.73 0.00 0.00 179.01 178.51 2a59 h ALA 101 N 1.21 0.86 -0.25 2.92 0.00 -0.89 -2.33 119.26 120.79 2a59 h ALA 101 Ca 0.21 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2a59 h ALA 101 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2a59 h ALA 101 CO -0.05 0.65 -0.43 0.28 0.00 0.00 0.00 179.25 179.70 2a59 h VAL 102 N 0.83 1.30 -0.38 0.00 2.07 -0.71 -0.50 116.25 118.86 2a59 h VAL 102 Ca 0.13 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 2a59 h VAL 102 Cb 0.64 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2a59 h VAL 102 CO 0.04 0.52 0.19 0.58 0.02 0.00 0.00 177.57 178.92 2a59 h VAL 103 N 0.45 1.16 -0.62 2.57 2.07 -1.26 0.21 116.25 120.84 2a59 h VAL 103 Ca 0.02 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2a59 h VAL 103 Cb 1.03 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2a59 h VAL 103 CO 0.10 0.17 0.13 0.45 0.02 0.00 0.00 177.57 178.44 2a59 h HIS 104 N 0.48 1.03 -0.43 1.57 -0.00 -1.41 -2.39 115.15 114.02 2a59 h HIS 104 Ca 0.13 -0.12 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2a59 h HIS 104 Cb 0.10 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.20 2a59 h HIS 104 CO -0.02 0.86 0.25 0.78 -0.00 0.00 0.00 177.93 179.81 2a59 h GLY 105 N 1.04 0.62 0.97 2.45 0.00 -0.46 -0.32 103.07 107.36 2a59 h GLY 105 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2a59 h GLY 105 CO 0.00 0.26 0.20 1.41 0.00 0.00 0.00 176.54 178.41 2a59 h LEU 106 N 0.56 0.71 -0.54 3.11 3.38 -0.85 -1.17 115.31 120.52 2a59 h LEU 106 Ca 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2a59 h LEU 106 Cb 0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2a59 h LEU 106 CO -0.03 0.69 0.34 -0.03 0.09 0.00 0.00 178.44 179.50 2a59 h MET 107 N 0.69 0.72 -0.04 1.13 4.05 -1.15 -2.09 114.93 118.24 2a59 h MET 107 Ca 0.17 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2a59 h MET 107 Cb 0.21 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2a59 h MET 107 CO -0.01 0.50 0.02 -0.09 0.23 0.00 0.00 176.91 177.56 2a59 h ARG 108 N 0.72 0.04 -0.83 0.39 2.43 -0.68 -1.04 114.38 115.41 2a59 h ARG 108 Ca 0.19 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.45 2a59 h ARG 108 Cb -0.04 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 2a59 h ARG 108 CO -0.04 0.02 0.49 0.28 -1.51 0.00 0.00 179.97 179.21 2a59 h VAL 109 N 0.04 0.95 -0.31 0.20 2.07 -1.02 0.40 116.25 118.59 2a59 h VAL 109 Ca 0.02 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2a59 h VAL 109 Cb 0.01 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 2a59 h VAL 109 CO -0.02 0.15 -0.11 1.23 0.02 0.00 0.00 177.57 178.85 2a59 h GLY 110 N 0.84 0.66 1.27 2.17 0.00 -1.09 -1.64 103.07 105.29 2a59 h GLY 110 Ca 0.39 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 2a59 h GLY 110 CO -0.22 0.52 -0.27 1.41 0.00 0.00 0.00 176.54 177.98 2a59 h LEU 111 N 0.38 0.86 -0.13 3.11 3.38 -0.64 0.30 115.31 122.57 2a59 h LEU 111 Ca 0.07 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2a59 h LEU 111 Cb 0.61 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2a59 h LEU 111 CO 0.04 1.07 0.04 0.44 0.09 0.00 0.00 178.44 180.12 2a59 h ASP 112 N 0.71 0.19 1.33 -0.43 5.19 -0.20 -3.28 116.42 119.93 2a59 h ASP 112 Ca 0.09 -0.21 -0.10 0.00 -0.62 0.00 0.00 57.03 56.19 2a59 h ASP 112 Cb 0.81 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 2a59 h ASP 112 CO 0.07 0.34 -0.69 0.77 -3.12 0.00 0.00 179.24 176.61 2a59 h SER 113 N 0.02 0.00 0.00 6.45 4.64 -1.28 -3.47 113.55 119.90 2a59 h SER 113 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2a59 h SER 113 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2a59 h SER 113 CO -0.00 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 2a59 n GLY 114 N 1.25 0.98 3.69 -0.77 0.00 0.09 -5.02 105.19 105.40 2a59 n GLY 114 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2a59 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a59 s VAL 115 N -3.52 5.18 0.14 1.61 1.01 -1.20 -5.02 120.40 118.59 2a59 s VAL 115 Ca 0.00 0.85 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 2a59 s VAL 115 Cb 0.00 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 2a59 s VAL 115 CO 0.00 0.26 1.74 -2.65 0.00 0.00 0.00 175.10 174.46 2a59 n PRO 116 N 4.24 2.56 -4.00 2.72 -0.02 -1.26 -4.44 135.00 134.79 2a59 n PRO 116 Ca -0.07 0.93 -0.34 0.00 -2.02 0.00 0.00 63.50 62.00 2a59 n PRO 116 Cb 0.51 -2.77 -0.15 0.00 -0.02 0.00 0.00 33.50 31.07 2a59 n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2a59 s VAL 117 N 1.94 2.65 -0.00 -1.45 1.01 -1.26 -1.19 120.40 122.09 2a59 s VAL 117 Ca 0.80 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 2a59 s VAL 117 Cb -0.56 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2a59 s VAL 117 CO 0.37 0.27 0.61 -0.63 0.00 0.00 0.00 175.10 175.72 2a59 s ILE 118 N 1.30 4.91 -0.62 2.22 1.09 0.69 -4.97 121.20 125.82 2a59 s ILE 118 Ca 0.01 1.27 -0.24 0.00 -1.10 0.00 0.00 60.65 60.59 2a59 s ILE 118 Cb -0.16 -3.94 0.05 0.00 -1.06 0.00 0.00 42.46 37.34 2a59 s ILE 118 CO -0.06 0.41 1.02 -0.22 -0.10 0.00 0.00 174.94 175.98 2a59 s LEU 119 N -0.14 4.00 -0.47 2.97 2.96 -1.26 -1.36 118.68 125.39 2a59 s LEU 119 Ca 0.32 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2a59 s LEU 119 Cb -0.18 -2.69 0.45 0.00 0.50 0.00 0.00 46.19 44.27 2a59 s LEU 119 CO 0.17 -1.41 1.54 0.61 -1.32 0.00 0.00 176.35 175.95 2a59 n GLY 120 N 5.22 6.14 3.68 7.98 0.00 0.18 -4.97 105.19 123.43 2a59 n GLY 120 Ca 0.01 -2.54 -0.36 0.00 0.00 0.00 0.00 46.02 43.13 2a59 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a59 s LEU 121 N -3.70 4.14 -0.18 0.99 0.20 -1.23 -1.55 118.68 117.34 2a59 s LEU 121 Ca 0.56 0.15 -0.06 0.00 0.69 0.00 0.00 54.13 55.47 2a59 s LEU 121 Cb 0.45 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 2a59 s LEU 121 CO -0.02 0.10 0.02 -0.76 -0.29 0.00 0.00 176.35 175.40 2a59 s LEU 122 N 0.86 3.50 -0.46 -0.68 1.43 -0.46 -4.96 118.68 117.91 2a59 s LEU 122 Ca 0.08 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 2a59 s LEU 122 Cb -0.13 -1.88 0.12 0.00 0.03 0.00 0.00 46.19 44.34 2a59 s LEU 122 CO 0.03 0.13 0.21 0.42 0.23 0.00 0.00 176.35 177.37 2a59 s THR 123 N 0.59 2.22 0.33 5.49 -4.23 -1.26 -0.54 115.64 118.25 2a59 s THR 123 Ca 0.01 -2.89 0.09 0.00 -1.18 0.00 0.00 61.69 57.71 2a59 s THR 123 Cb -0.14 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.08 2a59 s THR 123 CO 0.02 -0.77 0.04 0.68 -0.54 0.00 0.00 174.62 174.05 2a59 s VAL 124 N 0.16 2.78 -0.13 2.29 -7.23 -0.48 -5.02 120.40 112.77 2a59 s VAL 124 Ca 0.16 -1.90 0.14 0.00 -1.81 0.00 0.00 61.98 58.57 2a59 s VAL 124 Cb -0.24 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 33.88 2a59 s VAL 124 CO -0.03 -0.21 1.39 -0.07 -0.31 0.00 0.00 175.10 175.88 2a59 h LEU 125 N 1.75 0.00 -7.93 1.32 -0.00 -1.93 -1.45 115.31 107.06 2a59 h LEU 125 Ca -0.43 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.53 2a59 h LEU 125 Cb 1.25 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.86 2a59 h LEU 125 CO 0.65 0.56 0.26 0.54 -0.00 0.00 0.00 178.44 180.46 2a59 s ASN 126 N -6.45 -0.26 0.18 -0.43 2.20 -1.26 -4.10 114.94 104.82 2a59 s ASN 126 Ca 0.03 -0.57 -0.16 0.00 -0.94 0.00 0.00 52.86 51.23 2a59 s ASN 126 Cb 0.08 0.69 0.14 0.00 -2.00 0.00 0.00 41.25 40.16 2a59 s ASN 126 CO 0.76 -1.28 1.66 -0.33 -2.94 0.00 0.00 177.10 174.97 2a59 h GLU 127 N 2.00 0.02 -0.66 3.55 4.39 -1.97 -2.64 114.58 119.27 2a59 h GLU 127 Ca -0.20 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.64 2a59 h GLU 127 Cb 1.25 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.78 2a59 h GLU 127 CO 0.24 0.01 0.03 0.93 -1.16 0.00 0.00 179.01 179.06 2a59 h GLU 128 N 0.02 0.13 -0.69 2.33 3.07 -1.99 0.94 114.58 118.40 2a59 h GLU 128 Ca 0.22 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.09 2a59 h GLU 128 Cb 0.34 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 2a59 h GLU 128 CO -0.45 0.09 0.46 1.96 -1.40 0.00 0.00 179.01 179.66 2a59 h GLN 129 N 0.14 0.89 0.33 2.33 4.20 -1.90 0.10 115.11 121.19 2a59 h GLN 129 Ca 0.35 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 2a59 h GLN 129 Cb 0.58 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2a59 h GLN 129 CO -0.55 0.59 -0.16 0.00 -0.67 0.00 0.00 178.83 178.04 2a59 h ALA 130 N 1.58 -0.44 -0.82 3.87 0.00 -0.84 -2.57 119.26 120.03 2a59 h ALA 130 Ca 0.26 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.11 2a59 h ALA 130 Cb -0.07 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2a59 h ALA 130 CO -0.06 -0.56 0.43 -0.07 0.00 0.00 0.00 179.25 178.99 2a59 h LEU 131 N -0.82 0.54 -0.93 0.00 4.07 -0.90 -1.30 115.31 115.96 2a59 h LEU 131 Ca -0.05 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2a59 h LEU 131 Cb 0.52 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.21 2a59 h LEU 131 CO 0.07 0.25 0.60 0.22 -1.08 0.00 0.00 178.44 178.51 2a59 h TYR 132 N 0.64 1.19 -0.00 1.13 3.20 -0.95 -0.73 116.97 121.45 2a59 h TYR 132 Ca 0.44 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.32 2a59 h TYR 132 Cb 0.56 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2a59 h TYR 132 CO -0.09 0.76 -0.02 0.54 -1.64 0.00 0.00 178.16 177.71 2a59 n ARG 133 N -4.41 0.64 -0.29 1.82 1.74 -0.57 -2.52 116.66 113.07 2a59 n ARG 133 Ca 0.10 -0.05 0.11 0.00 -0.77 0.00 0.00 57.85 57.24 2a59 n ARG 133 Cb 0.03 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.25 2a59 n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a59 n ALA 134 N -1.13 2.41 -0.37 7.54 0.00 -0.34 -1.48 120.51 127.14 2a59 n ALA 134 Ca 0.17 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2a59 n ALA 134 Cb 0.22 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2a59 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a59 n GLY 135 N 1.54 0.92 3.94 0.00 0.00 -1.05 -4.52 105.19 106.02 2a59 n GLY 135 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 2a59 n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a59 s LEU 136 N 0.00 2.85 -1.65 0.99 1.02 -0.84 -4.06 118.68 117.00 2a59 s LEU 136 Ca 0.00 0.37 -0.10 0.00 0.02 0.00 0.00 54.13 54.42 2a59 s LEU 136 Cb 0.00 -2.99 0.09 0.00 0.02 0.00 0.00 46.19 43.32 2a59 s LEU 136 CO 0.00 -1.63 0.37 0.59 0.02 0.00 0.00 176.35 175.69 2a59 n ASN 137 N -2.91 -0.73 0.00 2.29 5.03 -1.26 -0.52 115.26 117.15 2a59 n ASN 137 Ca 0.09 -1.18 0.00 0.00 0.87 0.00 0.00 54.58 54.35 2a59 n ASN 137 Cb 0.60 -2.01 0.00 0.00 -1.02 0.00 0.00 39.78 37.35 2a59 n ASN 137 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a59 n GLY 138 N -1.86 0.94 3.93 7.41 0.00 -1.26 -4.97 105.19 109.37 2a59 n GLY 138 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2a59 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a59 s GLY 139 N -1.80 1.70 -0.19 -0.02 0.00 0.32 -5.07 107.32 102.26 2a59 s GLY 139 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 2a59 s GLY 139 CO 0.00 -0.54 0.17 -1.58 0.00 0.00 0.00 173.10 171.15 2a59 s HIS 140 N -3.33 3.42 -0.24 1.90 5.65 -1.21 -4.21 115.29 117.27 2a59 s HIS 140 Ca 0.62 0.39 -0.29 0.00 0.25 0.00 0.00 55.06 56.03 2a59 s HIS 140 Cb -0.09 -2.20 -0.02 0.00 -1.18 0.00 0.00 32.58 29.08 2a59 s HIS 140 CO 0.46 0.27 1.46 1.21 -0.65 0.00 0.00 174.74 177.49 2a59 s ASN 141 N 0.40 6.56 0.46 9.88 3.84 -1.26 -3.49 114.94 131.33 2a59 s ASN 141 Ca 0.10 1.50 0.28 0.00 0.21 0.00 0.00 52.86 54.96 2a59 s ASN 141 Cb -0.11 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.97 2a59 s ASN 141 CO -0.01 -1.12 1.81 0.45 -2.79 0.00 0.00 177.10 175.44 2a59 h HIS 142 N 9.87 0.00 -0.26 0.43 3.86 -1.57 -3.06 115.15 124.42 2a59 h HIS 142 Ca -0.30 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2a59 h HIS 142 Cb 1.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 2a59 h HIS 142 CO 0.89 0.00 0.17 0.78 0.86 0.00 0.00 177.93 180.63 2a59 h GLY 143 N 2.96 0.33 0.81 2.45 0.00 -1.81 -1.91 103.07 105.90 2a59 h GLY 143 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2a59 h GLY 143 CO 0.00 0.11 -0.18 3.43 0.00 0.00 0.00 176.54 179.90 2a59 h ASN 144 N 0.31 -0.48 -0.86 0.19 -0.26 -1.68 -0.32 115.58 112.48 2a59 h ASN 144 Ca 0.10 0.04 0.09 0.00 -0.56 0.00 0.00 56.30 55.97 2a59 h ASN 144 Cb 0.02 0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 37.37 2a59 h ASN 144 CO -0.02 -0.28 0.51 0.44 -1.06 0.00 0.00 177.43 177.02 2a59 h ASP 145 N -0.41 0.76 -0.69 5.81 3.32 -1.55 -0.46 116.42 123.21 2a59 h ASP 145 Ca -0.00 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2a59 h ASP 145 Cb 0.38 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2a59 h ASP 145 CO -0.03 0.45 0.33 -0.50 -1.72 0.00 0.00 179.24 177.77 2a59 h TRP 146 N 0.88 1.01 -0.13 4.55 6.55 -0.92 -0.48 115.95 127.42 2a59 h TRP 146 Ca 0.40 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 60.20 2a59 h TRP 146 Cb 0.31 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 2a59 h TRP 146 CO -0.04 0.74 0.08 0.78 -1.05 0.00 0.00 178.44 178.95 2a59 h GLY 147 N 1.07 0.18 1.14 1.49 0.00 0.58 -0.10 103.07 107.42 2a59 h GLY 147 Ca 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 2a59 h GLY 147 CO -0.03 0.06 0.25 1.76 0.00 0.00 0.00 176.54 178.58 2a59 h SER 148 N 0.16 1.00 -0.63 0.19 0.02 -0.96 -2.33 113.55 111.00 2a59 h SER 148 Ca 0.05 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2a59 h SER 148 Cb -0.01 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2a59 h SER 148 CO -0.02 0.91 0.24 0.00 -1.14 0.00 0.00 176.83 176.83 2a59 h ALA 149 N 1.22 0.82 0.01 3.77 0.00 -0.66 -0.59 119.26 123.83 2a59 h ALA 149 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2a59 h ALA 149 Cb 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2a59 h ALA 149 CO -0.01 0.45 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 2a59 h ALA 150 N 1.09 -0.01 -0.21 0.00 0.00 -0.78 -0.24 119.26 119.12 2a59 h ALA 150 Ca 0.21 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2a59 h ALA 150 Cb 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2a59 h ALA 150 CO -0.01 -0.51 0.05 0.28 0.00 0.00 0.00 179.25 179.05 2a59 h VAL 151 N -0.01 0.91 -0.18 0.00 2.07 -1.15 0.08 116.25 117.97 2a59 h VAL 151 Ca 0.00 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2a59 h VAL 151 Cb 0.01 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2a59 h VAL 151 CO -0.00 0.02 0.06 -0.08 0.02 0.00 0.00 177.57 177.60 2a59 h GLU 152 N 0.13 0.15 -0.23 1.57 4.81 -0.90 -2.02 114.58 118.09 2a59 h GLU 152 Ca 0.09 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2a59 h GLU 152 Cb 0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2a59 h GLU 152 CO -0.12 0.10 -0.23 0.52 -0.73 0.00 0.00 179.01 178.55 2a59 h MET 153 N 0.15 0.42 -0.57 1.92 2.86 -0.82 -1.72 114.93 117.17 2a59 h MET 153 Ca 0.08 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2a59 h MET 153 Cb 0.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2a59 h MET 153 CO -0.08 0.63 0.24 0.78 1.06 0.00 0.00 176.91 179.54 2a59 h GLY 154 N 1.00 0.91 0.64 8.32 0.00 -0.68 -1.45 103.07 111.81 2a59 h GLY 154 Ca 0.06 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2a59 h GLY 154 CO 0.04 0.46 -0.00 1.41 0.00 0.00 0.00 176.54 178.45 2a59 h LEU 155 N 0.78 0.03 -2.85 3.11 3.38 -1.17 -2.77 115.31 115.83 2a59 h LEU 155 Ca 0.19 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2a59 h LEU 155 Cb 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2a59 h LEU 155 CO -0.02 0.40 0.02 0.11 0.09 0.00 0.00 178.44 179.04 2a59 h LYS 156 N -0.34 0.00 -0.01 1.13 1.57 -1.23 0.53 116.57 118.22 2a59 h LYS 156 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2a59 h LYS 156 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2a59 h LYS 156 CO 0.00 0.00 -0.75 0.00 -0.57 0.00 0.00 179.45 178.13 2a59 h ALA 157 N 1.97 0.74 -0.02 3.86 0.00 -0.97 -3.51 119.26 121.33 2a59 h ALA 157 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2a59 h ALA 157 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2a59 h ALA 157 CO -0.00 0.90 0.00 1.28 0.00 0.00 0.00 179.25 181.43