#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 1.54 -0.44 3.23 -0.14 -1.26 -4.48 119.74 118.20 2a59 s LYS 14 Ca 0.00 -0.89 0.07 0.00 -1.36 0.00 0.00 55.97 53.79 2a59 s LYS 14 Cb 0.00 -1.60 0.23 0.00 -1.68 0.00 0.00 37.83 34.77 2a59 s LYS 14 CO 0.00 0.42 0.50 0.41 -0.76 0.00 0.00 175.35 175.92 2a59 n GLY 15 N 2.10 2.95 0.25 -3.33 0.00 -0.06 -4.94 105.19 102.16 2a59 n GLY 15 Ca -0.16 -1.69 0.07 0.00 0.00 0.00 0.00 46.02 44.24 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 4.47 0.00 -0.01 1.61 0.11 -1.76 -2.44 132.00 133.98 2a59 h PRO 16 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2a59 h PRO 16 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2a59 h PRO 16 CO 0.49 0.06 -0.27 0.39 -0.21 0.00 0.00 178.00 178.46 2a59 n GLU 17 N -4.44 1.15 -2.25 1.05 1.02 -1.26 -4.42 120.64 111.49 2a59 n GLU 17 Ca -0.03 -0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 55.92 2a59 n GLU 17 Cb 0.14 -1.48 -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 -2.40 4.47 -0.27 -4.62 1.43 -0.92 -5.02 118.68 111.36 2a59 s LEU 18 Ca 0.25 2.53 -0.03 0.00 -1.03 0.00 0.00 54.13 55.84 2a59 s LEU 18 Cb 0.19 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.80 2a59 s LEU 18 CO 0.50 -0.39 -0.01 -0.13 0.23 0.00 0.00 176.35 176.55 2a59 s ARG 19 N -1.60 2.86 -0.07 1.70 0.52 -1.26 -4.73 118.95 116.36 2a59 s ARG 19 Ca 0.48 -0.98 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 2a59 s ARG 19 Cb -0.37 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 2a59 s ARG 19 CO 0.48 -0.44 -0.12 0.42 0.02 0.00 0.00 175.30 175.65 2a59 s ILE 20 N 1.37 3.22 -0.09 1.52 1.09 -0.59 -0.15 121.20 127.57 2a59 s ILE 20 Ca 0.00 -0.65 -0.00 0.00 -1.10 0.00 0.00 60.65 58.90 2a59 s ILE 20 Cb -0.17 -2.29 -0.03 0.00 -1.06 0.00 0.00 42.46 38.91 2a59 s ILE 20 CO -0.02 0.58 -0.07 -0.22 -0.10 0.00 0.00 174.94 175.11 2a59 s LEU 21 N -0.54 3.13 -0.15 2.97 2.96 -0.55 -1.40 118.68 125.10 2a59 s LEU 21 Ca 0.08 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2a59 s LEU 21 Cb -0.12 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.91 2a59 s LEU 21 CO 0.02 0.31 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.62 2a59 s ILE 22 N -0.48 1.36 -0.15 6.68 1.01 0.03 -0.81 121.20 128.84 2a59 s ILE 22 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2a59 s ILE 22 Cb -0.12 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.98 2a59 s ILE 22 CO 0.02 0.34 -0.16 -0.69 0.00 0.00 0.00 174.94 174.45 2a59 s VAL 23 N 1.56 2.66 0.08 2.92 1.01 -0.77 -0.78 120.40 127.08 2a59 s VAL 23 Ca 0.03 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2a59 s VAL 23 Cb -0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2a59 s VAL 23 CO -0.09 0.52 -0.13 -1.38 0.00 0.00 0.00 175.10 174.02 2a59 s HIS 24 N 0.73 1.18 0.79 5.22 -3.43 -1.04 -1.01 115.29 117.75 2a59 s HIS 24 Ca -0.07 -0.52 -0.08 0.00 -0.80 0.00 0.00 55.06 53.59 2a59 s HIS 24 Cb -0.16 -0.65 0.13 0.00 -1.43 0.00 0.00 32.58 30.47 2a59 s HIS 24 CO 0.01 0.05 1.11 0.00 -2.00 0.00 0.00 174.74 173.91 2a59 s ALA 25 N -1.70 3.04 -0.65 -1.38 0.00 -0.41 -1.08 121.76 119.57 2a59 s ALA 25 Ca 0.01 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.75 2a59 s ALA 25 Cb -0.07 -2.46 0.10 0.00 0.00 0.00 0.00 23.12 20.69 2a59 s ALA 25 CO 0.02 -1.73 0.90 0.54 0.00 0.00 0.00 175.76 175.49 2a59 n ARG 26 N -3.17 1.27 -2.66 0.00 1.74 -0.20 -4.77 116.66 108.87 2a59 n ARG 26 Ca 0.13 -1.30 -0.40 0.00 -0.77 0.00 0.00 57.85 55.50 2a59 n ARG 26 Cb 0.60 -1.13 -0.05 0.00 -1.02 0.00 0.00 32.46 30.86 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 -0.74 3.83 -1.20 -1.55 1.51 -1.21 -3.75 117.35 114.24 2a59 s TYR 27 Ca 0.10 1.81 -0.00 0.00 -1.01 0.00 0.00 57.07 57.97 2a59 s TYR 27 Cb 0.06 -3.09 -0.00 0.00 -0.11 0.00 0.00 41.96 38.82 2a59 s TYR 27 CO 0.08 0.08 0.98 0.09 -1.11 0.00 0.00 175.55 175.68 2a59 n ASN 28 N 1.81 -2.13 0.04 2.29 3.02 -1.26 -4.54 115.26 114.49 2a59 n ASN 28 Ca -0.00 -0.63 0.19 0.00 -0.03 0.00 0.00 54.58 54.11 2a59 n ASN 28 Cb 0.47 -5.08 0.70 0.00 -0.61 0.00 0.00 39.78 35.26 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 -1.88 0.00 -1.74 3.41 5.85 -1.93 -0.92 115.31 118.10 2a59 h LEU 29 Ca -0.59 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.16 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 0.22 1.56 -0.34 0.00 0.00 178.44 180.38 2a59 h GLN 30 N 0.00 0.33 0.02 1.25 1.08 -1.93 -1.80 115.11 114.05 2a59 h GLN 30 Ca 0.22 -0.02 -0.32 0.00 -1.45 0.00 0.00 58.65 57.08 2a59 h GLN 30 Cb 0.91 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.22 2a59 h GLN 30 CO -0.00 0.22 -1.87 0.00 -0.95 0.00 0.00 178.83 176.23 2a59 n ALA 31 N -2.51 1.39 -0.08 3.87 0.00 -0.40 -4.46 120.51 118.32 2a59 n ALA 31 Ca 0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 2a59 n ALA 31 Cb 0.15 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 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 1.31 -0.09 0.00 2.04 -1.00 -3.21 117.51 116.58 2a59 h ILE 32 Ca -0.35 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.28 2a59 h ILE 32 Cb 2.04 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 39.71 2a59 h ILE 32 CO 0.07 0.39 -0.17 -0.33 0.00 0.00 0.00 178.15 178.11 2a59 h GLU 33 N 0.22 -0.22 -0.84 2.37 5.08 -1.56 -1.40 114.58 118.24 2a59 h GLU 33 Ca 0.05 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 2a59 h GLU 33 Cb 0.67 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2a59 h GLU 33 CO 0.04 -0.15 0.54 -1.35 -1.00 0.00 0.00 179.01 177.10 2a59 h PRO 34 N -0.23 0.78 -0.20 2.33 0.11 -1.78 -1.01 132.00 132.00 2a59 h PRO 34 Ca 0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2a59 h PRO 34 Cb 0.35 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2a59 h PRO 34 CO -0.22 0.52 0.08 -0.07 -0.21 0.00 0.00 178.00 178.09 2a59 h LEU 35 N 0.81 0.27 -0.16 2.35 3.38 -1.34 0.34 115.31 120.96 2a59 h LEU 35 Ca 0.38 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2a59 h LEU 35 Cb 0.42 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2a59 h LEU 35 CO -0.15 0.37 0.08 0.58 0.09 0.00 0.00 178.44 179.41 2a59 h VAL 36 N 0.16 1.12 -0.06 1.22 2.07 -0.77 -1.37 116.25 118.62 2a59 h VAL 36 Ca 0.07 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2a59 h VAL 36 Cb 0.18 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 2a59 h VAL 36 CO -0.00 0.11 -0.32 0.11 0.02 0.00 0.00 177.57 177.49 2a59 h LYS 37 N 0.14 -0.42 -0.54 1.57 6.56 -1.06 0.47 116.57 123.29 2a59 h LYS 37 Ca 0.06 0.03 0.10 0.00 -1.06 0.00 0.00 60.65 59.77 2a59 h LYS 37 Cb 0.11 0.09 -0.08 0.00 -0.57 0.00 0.00 32.23 31.79 2a59 h LYS 37 CO -0.01 -0.28 0.11 0.78 -2.06 0.00 0.00 179.45 177.99 2a59 h GLY 38 N -0.43 0.67 1.00 3.86 0.00 -0.79 0.13 103.07 107.51 2a59 h GLY 38 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2a59 h GLY 38 CO -0.30 -0.09 -0.15 0.00 0.00 0.00 0.00 176.54 176.00 2a59 h ALA 39 N 1.43 -0.42 0.50 3.60 0.00 -0.67 -1.55 119.26 122.14 2a59 h ALA 39 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2a59 h ALA 39 Cb 0.39 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2a59 h ALA 39 CO -0.36 -0.74 -0.32 0.28 0.00 0.00 0.00 179.25 178.12 2a59 h VAL 40 N -0.43 0.35 -0.53 0.00 2.07 -0.40 -2.15 116.25 115.16 2a59 h VAL 40 Ca -0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2a59 h VAL 40 Cb 0.33 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 2a59 h VAL 40 CO 0.07 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.42 2a59 h GLU 41 N -0.79 0.21 -0.23 1.57 5.08 -0.78 -1.52 114.58 118.12 2a59 h GLU 41 Ca -0.06 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2a59 h GLU 41 Cb 0.64 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2a59 h GLU 41 CO 0.05 0.14 0.14 1.15 -1.00 0.00 0.00 179.01 179.50 2a59 h THR 42 N 0.22 1.04 -0.40 1.13 2.02 -1.19 0.24 112.91 115.97 2a59 h THR 42 Ca 0.27 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.39 2a59 h THR 42 Cb 0.39 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2a59 h THR 42 CO -0.37 0.05 0.18 0.24 0.37 0.00 0.00 175.52 175.99 2a59 h MET 43 N 0.30 0.35 0.52 6.66 2.86 -0.83 0.21 114.93 125.00 2a59 h MET 43 Ca 0.09 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2a59 h MET 43 Cb -0.02 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.57 2a59 h MET 43 CO -0.03 0.23 -0.25 0.82 1.06 0.00 0.00 176.91 178.74 2a59 h ILE 44 N 0.36 0.28 -0.39 -1.22 2.04 -1.05 -1.43 117.51 116.10 2a59 h ILE 44 Ca 0.18 -0.44 -0.16 0.00 1.00 0.00 0.00 64.86 65.44 2a59 h ILE 44 Cb 0.12 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2a59 h ILE 44 CO -0.15 0.05 -0.38 -0.33 0.00 0.00 0.00 178.15 177.33 2a59 h GLU 45 N -1.05 0.95 0.00 2.37 5.08 -0.51 -2.51 114.58 118.91 2a59 h GLU 45 Ca -0.07 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 57.76 2a59 h GLU 45 Cb 0.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2a59 h GLU 45 CO 0.12 1.15 -1.71 1.63 -1.00 0.00 0.00 179.01 179.21 2a59 n LYS 46 N -4.06 0.64 0.00 2.33 4.76 0.74 -4.55 118.16 118.02 2a59 n LYS 46 Ca -0.02 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2a59 n LYS 46 Cb 0.55 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.44 0.00 -3.03 2.13 8.25 -0.61 -4.79 115.22 114.73 2a59 n HIS 47 Ca -0.05 -0.35 -0.22 0.00 -0.26 0.00 0.00 57.72 56.84 2a59 n HIS 47 Cb 0.61 -0.04 0.03 0.00 1.12 0.00 0.00 29.99 31.72 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 -0.35 -5.89 -4.79 0.41 10.43 -0.94 -0.88 116.55 114.53 2a59 n ASP 48 Ca 0.00 -0.29 -0.37 0.00 2.57 0.00 0.00 54.79 56.71 2a59 n ASP 48 Cb 0.26 -4.77 -0.06 0.00 1.84 0.00 0.00 41.12 38.38 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 4.35 -0.14 2.53 1.01 -0.80 -3.49 120.40 120.71 2a59 s VAL 49 Ca 0.30 1.62 -0.20 0.00 0.00 0.00 0.00 61.98 63.70 2a59 s VAL 49 Cb -0.14 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2a59 s VAL 49 CO 0.37 0.17 0.56 -0.54 0.00 0.00 0.00 175.10 175.67 2a59 s LYS 50 N -2.01 4.31 0.32 2.72 1.02 -1.26 -4.24 119.74 120.60 2a59 s LYS 50 Ca 0.47 0.57 0.09 0.00 0.02 0.00 0.00 55.97 57.12 2a59 s LYS 50 Cb -0.18 -3.49 0.92 0.00 -0.52 0.00 0.00 37.83 34.56 2a59 s LYS 50 CO 0.23 0.01 1.64 1.25 -0.92 0.00 0.00 175.35 177.56 2a59 h LEU 51 N 7.21 0.17 -2.00 3.17 6.46 -1.95 0.72 115.31 129.09 2a59 h LEU 51 Ca -0.38 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 2a59 h LEU 51 Cb 1.17 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.34 2a59 h LEU 51 CO 0.76 -0.20 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.98 2a59 h GLU 52 N 0.21 0.00 -0.47 1.25 3.07 -2.00 -2.56 114.58 114.08 2a59 h GLU 52 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 2a59 h GLU 52 Cb 1.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.36 2a59 h GLU 52 CO -0.68 0.07 0.00 0.09 -1.40 0.00 0.00 179.01 177.09 2a59 n ASN 53 N -3.39 2.48 -4.15 1.42 5.03 0.25 -4.79 115.26 112.11 2a59 n ASN 53 Ca -0.01 -2.06 -0.34 0.00 0.87 0.00 0.00 54.58 53.04 2a59 n ASN 53 Cb 0.23 -0.33 -0.15 0.00 -1.02 0.00 0.00 39.78 38.51 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 -1.49 2.55 -0.08 2.41 1.01 -0.96 -1.55 121.20 123.09 2a59 s ILE 54 Ca 0.29 -1.23 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 2a59 s ILE 54 Cb 0.16 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 2a59 s ILE 54 CO 0.18 0.16 0.23 -1.81 0.00 0.00 0.00 174.94 173.70 2a59 s ASP 55 N 1.25 6.53 -0.23 3.58 1.01 -0.49 -5.01 116.67 123.30 2a59 s ASP 55 Ca -0.02 0.63 0.01 0.00 0.71 0.00 0.00 52.55 53.88 2a59 s ASP 55 Cb -0.17 -2.13 0.06 0.00 1.01 0.00 0.00 42.92 41.69 2a59 s ASP 55 CO -0.06 0.38 -0.05 -0.63 0.21 0.00 0.00 175.17 175.02 2a59 s ILE 56 N -1.02 1.49 0.39 0.77 1.01 -1.26 -0.79 121.20 121.78 2a59 s ILE 56 Ca 0.18 -1.21 0.08 0.00 0.00 0.00 0.00 60.65 59.70 2a59 s ILE 56 Cb -0.14 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 2a59 s ILE 56 CO 0.07 -0.12 0.35 -1.61 0.00 0.00 0.00 174.94 173.64 2a59 s GLU 57 N 1.41 2.59 0.08 2.79 0.41 0.04 -5.00 118.70 121.02 2a59 s GLU 57 Ca -0.05 -1.46 -0.06 0.00 -0.41 0.00 0.00 54.97 52.98 2a59 s GLU 57 Cb -0.19 -2.41 -0.01 0.00 -1.78 0.00 0.00 34.13 29.74 2a59 s GLU 57 CO -0.06 -0.11 0.12 -1.54 -0.49 0.00 0.00 175.26 173.18 2a59 s SER 58 N -4.09 0.24 0.10 -0.19 1.04 -1.26 -2.48 113.70 107.05 2a59 s SER 58 Ca 0.46 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 2a59 s SER 58 Cb -0.04 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2a59 s SER 58 CO 0.28 -0.69 0.01 0.68 0.98 0.00 0.00 173.24 174.50 2a59 s VAL 59 N -3.88 0.22 0.02 5.02 -7.23 -0.24 -4.90 120.40 109.41 2a59 s VAL 59 Ca 0.06 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 2a59 s VAL 59 Cb 0.06 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 2a59 s VAL 59 CO -0.11 -0.70 1.10 -0.65 -0.31 0.00 0.00 175.10 174.43 2a59 h PRO 60 N 2.97 -0.16 -5.11 4.82 0.11 -1.94 -1.89 132.00 130.80 2a59 h PRO 60 Ca -0.35 0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.26 2a59 h PRO 60 Cb 1.17 0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 2a59 h PRO 60 CO 0.62 -0.11 -0.56 0.20 -0.21 0.00 0.00 178.00 177.95 2a59 s GLY 61 N -1.21 2.35 0.48 -0.55 0.00 -1.26 -1.03 107.32 106.10 2a59 s GLY 61 Ca -0.03 -1.59 0.21 0.00 0.00 0.00 0.00 44.72 43.32 2a59 s GLY 61 CO 0.11 -1.82 1.94 1.76 0.00 0.00 0.00 173.10 175.09 2a59 h SER 62 N 1.95 0.19 -0.54 1.64 0.02 -1.92 -0.29 113.55 114.60 2a59 h SER 62 Ca -0.38 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.62 2a59 h SER 62 Cb 1.26 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 2a59 h SER 62 CO 0.63 0.10 0.36 -0.25 -1.14 0.00 0.00 176.83 176.53 2a59 h TRP 63 N 0.20 0.58 0.00 3.45 2.91 -1.96 -1.39 115.95 119.74 2a59 h TRP 63 Ca 0.34 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.37 2a59 h TRP 63 Cb 1.03 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.48 2a59 h TRP 63 CO -0.00 0.34 -0.00 0.39 -1.03 0.00 0.00 178.44 178.13 2a59 n GLU 64 N -4.47 0.05 0.06 2.65 4.71 -0.12 -4.23 120.64 119.29 2a59 n GLU 64 Ca 0.06 0.04 -0.15 0.00 -0.01 0.00 0.00 57.16 57.11 2a59 n GLU 64 Cb 0.16 -1.55 -0.08 0.00 -1.01 0.00 0.00 31.44 28.95 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 -1.46 -0.69 -4.62 5.85 -1.26 0.43 115.31 113.56 2a59 h LEU 65 Ca 0.00 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2a59 h LEU 65 Cb 0.54 0.56 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 2a59 h LEU 65 CO 0.00 -0.50 0.41 -0.65 -0.34 0.00 0.00 178.44 177.37 2a59 h PRO 66 N -0.64 0.77 -0.49 5.25 0.11 -1.76 -0.63 132.00 134.61 2a59 h PRO 66 Ca 0.03 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 2a59 h PRO 66 Cb 0.70 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 2a59 h PRO 66 CO -0.33 0.51 -0.02 1.96 -0.21 0.00 0.00 178.00 179.90 2a59 h GLN 67 N 0.79 0.88 -0.30 1.05 4.20 -1.72 -0.80 115.11 119.20 2a59 h GLN 67 Ca 0.29 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2a59 h GLN 67 Cb 0.08 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2a59 h GLN 67 CO -0.14 0.93 0.14 0.78 -0.67 0.00 0.00 178.83 179.87 2a59 h GLY 68 N 0.73 0.47 1.00 3.46 0.00 0.19 -1.93 103.07 106.99 2a59 h GLY 68 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.23 2a59 h GLY 68 CO 0.03 0.22 0.27 -2.22 0.00 0.00 0.00 176.54 174.85 2a59 h ILE 69 N 0.35 1.10 -0.49 2.60 2.04 -0.97 -2.16 117.51 119.98 2a59 h ILE 69 Ca 0.10 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2a59 h ILE 69 Cb 0.13 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2a59 h ILE 69 CO -0.01 0.10 0.32 -0.09 0.00 0.00 0.00 178.15 178.47 2a59 h ARG 70 N 0.55 0.63 -0.13 2.37 2.43 -1.00 0.36 114.38 119.59 2a59 h ARG 70 Ca 0.15 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2a59 h ARG 70 Cb -0.06 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2a59 h ARG 70 CO -0.04 0.41 0.03 0.00 -1.51 0.00 0.00 179.97 178.86 2a59 h ALA 71 N 1.19 0.12 -0.67 2.80 0.00 -1.17 -2.49 119.26 119.04 2a59 h ALA 71 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2a59 h ALA 71 Cb -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2a59 h ALA 71 CO -0.05 -0.43 0.25 0.77 0.00 0.00 0.00 179.25 179.79 2a59 h SER 72 N 0.08 0.94 -0.36 0.00 0.02 -1.06 -2.28 113.55 110.89 2a59 h SER 72 Ca 0.05 -0.18 0.10 0.00 -0.84 0.00 0.00 61.79 60.92 2a59 h SER 72 Cb 0.05 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2a59 h SER 72 CO -0.07 0.87 0.26 0.40 -1.14 0.00 0.00 176.83 177.15 2a59 h ILE 73 N 0.96 0.84 0.17 3.27 1.08 -0.68 -1.12 117.51 122.03 2a59 h ILE 73 Ca 0.22 -0.01 -0.30 0.00 -0.39 0.00 0.00 64.86 64.38 2a59 h ILE 73 Cb 0.24 0.80 0.02 0.00 -3.07 0.00 0.00 36.82 34.81 2a59 h ILE 73 CO -0.01 0.01 -1.32 0.00 -0.69 0.00 0.00 178.15 176.13 2a59 h ALA 74 N 1.82 -0.01 0.15 1.87 0.00 -0.98 -3.38 119.26 118.72 2a59 h ALA 74 Ca 0.17 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2a59 h ALA 74 Cb 0.63 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2a59 h ALA 74 CO -0.01 0.81 -0.07 0.00 0.00 0.00 0.00 179.25 179.98 2a59 h ARG 75 N 0.14 -0.19 0.00 0.00 2.47 -0.72 -3.47 114.38 112.61 2a59 h ARG 75 Ca -0.19 0.01 -0.27 0.00 -1.26 0.00 0.00 59.98 58.28 2a59 h ARG 75 Cb 2.02 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 30.37 2a59 h ARG 75 CO 0.24 -0.13 -0.12 0.09 0.56 0.00 0.00 179.97 180.61 2a59 n ASN 76 N -2.63 1.79 -4.32 7.04 3.02 -0.71 -5.12 115.26 114.33 2a59 n ASN 76 Ca -0.02 -1.87 -0.33 0.00 -0.03 0.00 0.00 54.58 52.32 2a59 n ASN 76 Cb 0.08 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.25 2.92 0.12 3.41 2.01 -1.26 -4.61 115.64 116.98 2a59 s THR 77 Ca 0.15 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.51 2a59 s THR 77 Cb -0.01 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2a59 s THR 77 CO 0.09 0.51 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.10 2a59 s TYR 78 N 0.61 1.31 -0.11 4.92 2.02 -1.26 -4.90 117.35 119.93 2a59 s TYR 78 Ca -0.08 -0.58 0.16 0.00 -0.37 0.00 0.00 57.07 56.20 2a59 s TYR 78 Cb -0.16 -0.69 -0.15 0.00 -0.40 0.00 0.00 41.96 40.57 2a59 s TYR 78 CO 0.03 0.11 0.79 -0.25 -1.57 0.00 0.00 175.55 174.66 2a59 n ASP 79 N 0.53 0.84 -3.49 2.29 9.92 0.79 -4.96 116.55 122.48 2a59 n ASP 79 Ca -0.16 0.37 -0.14 0.00 -0.53 0.00 0.00 54.79 54.34 2a59 n ASP 79 Cb 0.57 0.16 -0.04 0.00 -0.64 0.00 0.00 41.12 41.17 2a59 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a59 s ALA 80 N -2.89 -1.73 0.03 2.24 0.00 -1.23 -4.23 121.76 113.95 2a59 s ALA 80 Ca -0.03 1.02 0.02 0.00 0.00 0.00 0.00 51.96 52.98 2a59 s ALA 80 Cb 0.09 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 2a59 s ALA 80 CO 0.81 -0.54 -0.08 0.54 0.00 0.00 0.00 175.76 176.49 2a59 s VAL 81 N -2.30 0.60 -0.16 0.00 0.11 -0.45 -1.48 120.40 116.71 2a59 s VAL 81 Ca -0.04 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.25 2a59 s VAL 81 Cb -0.01 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2a59 s VAL 81 CO -0.01 -0.14 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.82 2a59 s ILE 82 N -0.85 2.40 -0.29 7.04 1.01 0.01 -0.20 121.20 130.32 2a59 s ILE 82 Ca -0.04 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 2a59 s ILE 82 Cb -0.07 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2a59 s ILE 82 CO 0.00 0.52 0.28 -0.83 0.00 0.00 0.00 174.94 174.92 2a59 s GLY 83 N 1.00 1.91 -0.11 6.18 0.00 -0.46 -1.85 107.32 113.99 2a59 s GLY 83 Ca -0.02 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.69 2a59 s GLY 83 CO -0.04 0.82 -0.23 -0.42 0.00 0.00 0.00 173.10 173.23 2a59 s ILE 84 N 1.90 2.03 0.17 0.90 1.01 -0.18 0.48 121.20 127.51 2a59 s ILE 84 Ca 0.10 -0.99 -0.23 0.00 0.00 0.00 0.00 60.65 59.54 2a59 s ILE 84 Cb -0.16 -1.77 0.06 0.00 0.01 0.00 0.00 42.46 40.60 2a59 s ILE 84 CO 0.11 0.55 0.61 -0.83 0.00 0.00 0.00 174.94 175.38 2a59 s GLY 85 N 0.53 -0.55 -0.15 6.18 0.00 -0.64 -1.29 107.32 111.40 2a59 s GLY 85 Ca -0.14 0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.95 2a59 s GLY 85 CO 0.05 0.12 -0.02 0.14 0.00 0.00 0.00 173.10 173.39 2a59 s VAL 86 N -3.77 0.80 -0.17 1.40 1.01 -1.26 -1.13 120.40 117.28 2a59 s VAL 86 Ca 0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2a59 s VAL 86 Cb -0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2a59 s VAL 86 CO -0.11 0.08 -0.02 -0.76 0.00 0.00 0.00 175.10 174.30 2a59 s LEU 87 N 1.77 3.29 -0.08 3.92 1.43 0.41 -4.80 118.68 124.61 2a59 s LEU 87 Ca 0.01 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2a59 s LEU 87 Cb -0.15 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2a59 s LEU 87 CO -0.07 0.13 -0.21 -0.63 0.23 0.00 0.00 176.35 175.80 2a59 s ILE 88 N 0.58 2.40 0.18 -0.59 1.01 -1.26 -1.26 121.20 122.27 2a59 s ILE 88 Ca -0.02 -0.92 -0.33 0.00 0.00 0.00 0.00 60.65 59.38 2a59 s ILE 88 Cb -0.14 -1.93 -0.14 0.00 0.01 0.00 0.00 42.46 40.27 2a59 s ILE 88 CO 0.02 0.56 1.55 1.17 0.00 0.00 0.00 174.94 178.24 2a59 n LYS 89 N 3.14 2.16 0.00 2.79 0.00 -0.61 -4.85 118.16 120.79 2a59 n LYS 89 Ca -0.18 0.78 0.00 0.00 0.00 0.00 0.00 58.31 58.91 2a59 n LYS 89 Cb 0.52 -2.53 0.00 0.00 0.00 0.00 0.00 35.03 33.03 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 3.15 3.79 0.07 3.14 0.00 -1.26 -4.84 105.19 109.23 2a59 n GLY 90 Ca 0.16 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 0.67 -2.53 1.61 7.64 -1.26 -4.95 113.62 114.80 2a59 n SER 91 Ca 0.00 0.08 -0.04 0.00 1.01 0.00 0.00 58.87 59.91 2a59 n SER 91 Cb 0.00 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 -2.28 0.00 1.43 0.44 -2.24 -1.26 -5.01 114.28 105.36 2a59 n THR 92 Ca 0.01 -0.39 0.13 0.00 -2.27 0.00 0.00 64.05 61.52 2a59 n THR 92 Cb 0.49 -0.56 0.49 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.88 1.63 -0.20 -0.78 0.00 -1.26 -4.29 117.12 111.33 2a59 n MET 93 Ca 0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 57.70 56.75 2a59 n MET 93 Cb 0.11 -1.44 0.05 0.00 0.00 0.00 0.00 33.22 31.94 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 2.09 -0.46 -0.27 2.03 -0.00 -1.97 -1.96 115.15 114.61 2a59 h HIS 94 Ca 0.00 0.06 0.06 0.00 -0.00 0.00 0.00 60.37 60.49 2a59 h HIS 94 Cb 0.45 0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 28.10 2a59 h HIS 94 CO 0.04 -0.30 -0.08 0.35 -0.00 0.00 0.00 177.93 177.94 2a59 h PHE 95 N -0.05 -0.18 -0.11 5.26 3.57 -1.89 -1.18 116.94 122.36 2a59 h PHE 95 Ca 0.28 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.83 2a59 h PHE 95 Cb 0.48 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2a59 h PHE 95 CO -0.53 -0.14 -0.01 0.93 -2.23 0.00 0.00 178.31 176.33 2a59 h GLU 96 N -0.02 0.02 -0.39 1.11 3.07 -1.68 -1.08 114.58 115.61 2a59 h GLU 96 Ca 0.14 -0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.84 2a59 h GLU 96 Cb 0.23 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2a59 h GLU 96 CO -0.30 0.01 -0.34 1.88 -1.40 0.00 0.00 179.01 178.86 2a59 h TYR 97 N 0.02 1.10 -0.51 4.33 0.05 -1.29 -2.40 116.97 118.26 2a59 h TYR 97 Ca 0.05 -0.32 -0.05 0.00 0.05 0.00 0.00 58.73 58.46 2a59 h TYR 97 Cb 0.07 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 2a59 h TYR 97 CO -0.15 1.14 0.10 0.82 -1.05 0.00 0.00 178.16 179.03 2a59 h ILE 98 N 0.74 1.25 0.13 -2.88 2.04 -1.17 -1.95 117.51 115.67 2a59 h ILE 98 Ca 0.07 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.04 2a59 h ILE 98 Cb 0.93 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2a59 h ILE 98 CO 0.09 0.32 -0.15 0.28 0.00 0.00 0.00 178.15 178.69 2a59 h SER 99 N 0.72 -0.40 -0.53 1.72 0.02 -1.14 0.50 113.55 114.44 2a59 h SER 99 Ca 0.16 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2a59 h SER 99 Cb 0.37 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 2a59 h SER 99 CO 0.01 -0.22 0.32 -0.08 -1.14 0.00 0.00 176.83 175.71 2a59 h GLU 100 N -0.32 0.61 -0.55 3.45 4.81 -1.41 -1.38 114.58 119.80 2a59 h GLU 100 Ca 0.01 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2a59 h GLU 100 Cb 0.31 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2a59 h GLU 100 CO -0.05 0.41 -0.03 0.00 -0.73 0.00 0.00 179.01 178.61 2a59 h ALA 101 N 1.24 0.91 -0.28 2.92 0.00 -1.01 -2.34 119.26 120.70 2a59 h ALA 101 Ca 0.22 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2a59 h ALA 101 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2a59 h ALA 101 CO -0.10 0.64 -0.45 0.28 0.00 0.00 0.00 179.25 179.63 2a59 h VAL 102 N 0.88 1.29 -0.33 0.00 2.07 -0.63 -0.63 116.25 118.90 2a59 h VAL 102 Ca 0.16 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 2a59 h VAL 102 Cb 0.55 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2a59 h VAL 102 CO 0.03 0.53 0.14 0.58 0.02 0.00 0.00 177.57 178.87 2a59 h VAL 103 N 0.56 1.18 -0.72 2.57 2.07 -1.22 0.14 116.25 120.82 2a59 h VAL 103 Ca 0.02 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2a59 h VAL 103 Cb 1.05 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2a59 h VAL 103 CO 0.10 0.19 0.22 0.45 0.02 0.00 0.00 177.57 178.55 2a59 h HIS 104 N 0.40 1.16 -0.28 1.57 -0.00 -1.40 -2.45 115.15 114.14 2a59 h HIS 104 Ca 0.11 -0.11 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 2a59 h HIS 104 Cb 0.16 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 2a59 h HIS 104 CO -0.01 0.92 0.13 0.78 -0.00 0.00 0.00 177.93 179.75 2a59 h GLY 105 N 1.10 0.37 1.01 2.45 0.00 -0.61 -0.01 103.07 107.39 2a59 h GLY 105 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 2a59 h GLY 105 CO -0.01 0.06 0.31 1.41 0.00 0.00 0.00 176.54 178.31 2a59 h LEU 106 N 0.27 0.93 -0.61 3.11 3.38 -0.84 -1.03 115.31 120.52 2a59 h LEU 106 Ca 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2a59 h LEU 106 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2a59 h LEU 106 CO -0.10 0.82 0.29 -0.03 0.09 0.00 0.00 178.44 179.51 2a59 h MET 107 N 0.97 0.88 0.03 1.13 4.05 -1.09 -2.34 114.93 118.56 2a59 h MET 107 Ca 0.23 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2a59 h MET 107 Cb 0.16 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2a59 h MET 107 CO -0.02 0.71 -0.01 -0.09 0.23 0.00 0.00 176.91 177.72 2a59 h ARG 108 N 0.83 -0.03 -0.84 0.39 2.43 -0.49 -1.13 114.38 115.54 2a59 h ARG 108 Ca 0.21 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.48 2a59 h ARG 108 Cb 0.13 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.61 2a59 h ARG 108 CO -0.03 0.02 0.48 0.28 -1.51 0.00 0.00 179.97 179.22 2a59 h VAL 109 N -0.08 0.90 -0.23 0.20 2.07 -1.07 0.37 116.25 118.41 2a59 h VAL 109 Ca -0.00 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2a59 h VAL 109 Cb 0.07 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 2a59 h VAL 109 CO 0.01 0.15 -0.06 1.23 0.02 0.00 0.00 177.57 178.91 2a59 h GLY 110 N 0.80 0.48 1.22 2.17 0.00 -1.16 -1.29 103.07 105.29 2a59 h GLY 110 Ca 0.41 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 2a59 h GLY 110 CO -0.26 0.37 -0.15 1.41 0.00 0.00 0.00 176.54 177.91 2a59 h LEU 111 N 0.18 0.91 -0.04 3.11 3.38 -0.65 0.12 115.31 122.32 2a59 h LEU 111 Ca 0.06 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2a59 h LEU 111 Cb 0.52 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2a59 h LEU 111 CO 0.02 1.05 0.01 0.44 0.09 0.00 0.00 178.44 180.06 2a59 h ASP 112 N 0.80 0.06 1.24 -0.43 5.19 -0.27 -3.29 116.42 119.72 2a59 h ASP 112 Ca 0.12 -0.18 -0.15 0.00 -0.62 0.00 0.00 57.03 56.20 2a59 h ASP 112 Cb 0.68 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 2a59 h ASP 112 CO 0.05 0.22 -0.78 0.77 -3.12 0.00 0.00 179.24 176.39 2a59 h SER 113 N -0.11 0.00 0.00 6.45 4.64 -1.22 -3.47 113.55 119.84 2a59 h SER 113 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2a59 h SER 113 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2a59 h SER 113 CO -0.00 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2a59 n GLY 114 N 1.29 0.84 3.71 -0.77 0.00 0.41 -5.02 105.19 105.65 2a59 n GLY 114 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.30 5.26 0.16 1.61 1.01 -1.20 -5.03 120.40 118.91 2a59 s VAL 115 Ca 0.00 0.63 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 2a59 s VAL 115 Cb 0.00 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 2a59 s VAL 115 CO 0.00 0.34 1.80 -2.84 0.00 0.00 0.00 175.10 174.40 2a59 s PRO 116 N 0.76 4.13 -0.24 2.72 0.02 -1.26 -4.43 135.00 136.70 2a59 s PRO 116 Ca 0.18 2.61 -0.02 0.00 0.02 0.00 0.00 61.00 63.79 2a59 s PRO 116 Cb -0.14 -3.41 0.02 0.00 0.02 0.00 0.00 34.50 31.00 2a59 s PRO 116 CO 0.06 -0.82 -0.06 0.08 -0.33 0.00 0.00 177.00 175.93 2a59 s VAL 117 N 2.18 2.91 -0.03 3.83 1.01 -1.26 -1.35 120.40 127.70 2a59 s VAL 117 Ca 0.79 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 2a59 s VAL 117 Cb -0.48 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2a59 s VAL 117 CO 0.35 0.25 0.61 -0.63 0.00 0.00 0.00 175.10 175.67 2a59 s ILE 118 N 1.35 4.96 -0.64 2.22 1.09 0.72 -4.98 121.20 125.92 2a59 s ILE 118 Ca 0.01 1.26 -0.25 0.00 -1.10 0.00 0.00 60.65 60.58 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 -0.05 0.38 1.06 -0.22 -0.10 0.00 0.00 174.94 176.01 2a59 s LEU 119 N 0.08 3.89 -0.48 2.97 2.96 -1.26 -1.35 118.68 125.49 2a59 s LEU 119 Ca 0.32 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2a59 s LEU 119 Cb -0.18 -2.65 0.44 0.00 0.50 0.00 0.00 46.19 44.31 2a59 s LEU 119 CO 0.17 -1.49 1.55 0.61 -1.32 0.00 0.00 176.35 175.87 2a59 n GLY 120 N 5.25 6.12 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 -3.71 4.15 -0.17 0.99 0.20 -1.23 -1.62 118.68 117.29 2a59 s LEU 121 Ca 0.56 0.18 -0.05 0.00 0.69 0.00 0.00 54.13 55.51 2a59 s LEU 121 Cb 0.45 -2.13 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 2a59 s LEU 121 CO -0.03 0.09 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.35 2a59 s LEU 122 N 0.84 3.41 -0.43 -0.68 1.43 -0.28 -4.96 118.68 118.01 2a59 s LEU 122 Ca 0.09 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2a59 s LEU 122 Cb -0.13 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.37 2a59 s LEU 122 CO 0.03 0.16 0.17 0.42 0.23 0.00 0.00 176.35 177.36 2a59 s THR 123 N 0.42 2.17 0.34 5.49 -4.23 -1.26 -0.44 115.64 118.13 2a59 s THR 123 Ca -0.02 -2.72 0.09 0.00 -1.18 0.00 0.00 61.69 57.86 2a59 s THR 123 Cb -0.14 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 2a59 s THR 123 CO 0.02 -0.74 0.02 0.68 -0.54 0.00 0.00 174.62 174.06 2a59 s VAL 124 N 0.36 2.60 -0.10 2.29 -7.23 -0.39 -5.02 120.40 112.92 2a59 s VAL 124 Ca 0.14 -1.97 0.13 0.00 -1.81 0.00 0.00 61.98 58.48 2a59 s VAL 124 Cb -0.23 -2.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.90 2a59 s VAL 124 CO -0.05 -0.19 1.36 -0.07 -0.31 0.00 0.00 175.10 175.84 2a59 h LEU 125 N 1.80 0.00 -7.89 1.32 -0.00 -1.94 -1.63 115.31 106.97 2a59 h LEU 125 Ca -0.43 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.52 2a59 h LEU 125 Cb 1.25 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.85 2a59 h LEU 125 CO 0.67 0.62 0.25 0.54 -0.00 0.00 0.00 178.44 180.52 2a59 s ASN 126 N -6.46 -0.28 0.20 -0.43 2.20 -1.26 -4.07 114.94 104.84 2a59 s ASN 126 Ca 0.03 -0.54 -0.12 0.00 -0.94 0.00 0.00 52.86 51.29 2a59 s ASN 126 Cb 0.08 0.70 0.25 0.00 -2.00 0.00 0.00 41.25 40.28 2a59 s ASN 126 CO 0.77 -1.28 1.68 -0.33 -2.94 0.00 0.00 177.10 175.00 2a59 h GLU 127 N 2.00 0.14 -0.60 3.55 4.39 -1.97 -2.58 114.58 119.52 2a59 h GLU 127 Ca -0.21 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.60 2a59 h GLU 127 Cb 1.25 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.78 2a59 h GLU 127 CO 0.24 0.09 0.06 0.93 -1.16 0.00 0.00 179.01 179.18 2a59 h GLU 128 N 0.14 0.18 -0.65 2.33 3.07 -1.99 0.50 114.58 118.17 2a59 h GLU 128 Ca 0.29 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.16 2a59 h GLU 128 Cb 0.45 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 2a59 h GLU 128 CO -0.45 0.12 0.43 1.96 -1.40 0.00 0.00 179.01 179.66 2a59 h GLN 129 N 0.18 0.79 0.30 2.33 4.20 -1.89 -0.44 115.11 120.58 2a59 h GLN 129 Ca 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2a59 h GLN 129 Cb 0.49 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2a59 h GLN 129 CO -0.46 0.52 -0.14 0.00 -0.67 0.00 0.00 178.83 178.08 2a59 h ALA 130 N 1.61 -0.40 -0.80 3.87 0.00 -0.92 -2.60 119.26 120.03 2a59 h ALA 130 Ca 0.25 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2a59 h ALA 130 Cb -0.00 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 2a59 h ALA 130 CO -0.06 -0.52 0.38 -0.07 0.00 0.00 0.00 179.25 178.98 2a59 h LEU 131 N -0.83 0.45 -0.75 0.00 4.07 -0.98 -1.32 115.31 115.96 2a59 h LEU 131 Ca -0.04 0.09 0.02 0.00 0.08 0.00 0.00 57.88 58.02 2a59 h LEU 131 Cb 0.52 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.24 2a59 h LEU 131 CO 0.07 0.20 0.49 0.22 -1.08 0.00 0.00 178.44 178.34 2a59 h TYR 132 N 0.57 0.93 0.00 1.13 3.20 -1.06 -0.69 116.97 121.05 2a59 h TYR 132 Ca 0.43 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.32 2a59 h TYR 132 Cb 0.58 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2a59 h TYR 132 CO -0.11 0.56 0.00 0.54 -1.64 0.00 0.00 178.16 177.51 2a59 n ARG 133 N -4.59 0.73 -0.33 1.82 1.74 -0.58 -2.32 116.66 113.14 2a59 n ARG 133 Ca 0.08 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.28 2a59 n ARG 133 Cb 0.04 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.28 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 2.39 -0.29 7.54 0.00 -0.33 -1.60 120.51 127.09 2a59 n ALA 134 Ca 0.19 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2a59 n ALA 134 Cb 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.64 0.86 3.94 0.00 0.00 -0.98 -4.52 105.19 106.13 2a59 n GLY 135 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 2.95 -1.63 0.99 1.02 -0.82 -4.08 118.68 117.11 2a59 s LEU 136 Ca 0.00 0.39 -0.09 0.00 0.02 0.00 0.00 54.13 54.45 2a59 s LEU 136 Cb 0.00 -3.10 0.09 0.00 0.02 0.00 0.00 46.19 43.19 2a59 s LEU 136 CO 0.00 -1.45 0.39 0.59 0.02 0.00 0.00 176.35 175.90 2a59 n ASN 137 N -2.77 -0.83 0.00 2.29 5.03 -1.26 -0.50 115.26 117.22 2a59 n ASN 137 Ca 0.08 -1.16 0.00 0.00 0.87 0.00 0.00 54.58 54.37 2a59 n ASN 137 Cb 0.60 -2.15 0.00 0.00 -1.02 0.00 0.00 39.78 37.21 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 0.85 3.94 7.41 0.00 -1.26 -4.97 105.19 109.29 2a59 n GLY 138 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.89 1.72 -0.19 -0.02 0.00 0.34 -5.07 107.32 102.22 2a59 s GLY 139 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 2a59 s GLY 139 CO 0.00 -0.64 0.16 -1.58 0.00 0.00 0.00 173.10 171.04 2a59 s HIS 140 N -3.30 3.42 -0.25 1.90 5.65 -1.21 -4.23 115.29 117.26 2a59 s HIS 140 Ca 0.63 0.38 -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 29.10 2a59 s HIS 140 CO 0.46 0.28 1.50 1.21 -0.65 0.00 0.00 174.74 177.53 2a59 s ASN 141 N 0.39 6.48 0.47 9.88 3.84 -1.26 -3.52 114.94 131.21 2a59 s ASN 141 Ca 0.10 1.46 0.29 0.00 0.21 0.00 0.00 52.86 54.91 2a59 s ASN 141 Cb -0.11 -2.53 0.99 0.00 -0.55 0.00 0.00 41.25 39.04 2a59 s ASN 141 CO -0.01 -1.20 1.83 0.45 -2.79 0.00 0.00 177.10 175.38 2a59 h HIS 142 N 10.22 0.00 -0.25 0.43 3.86 -1.61 -3.04 115.15 124.76 2a59 h HIS 142 Ca -0.31 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.90 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 0.90 0.00 0.15 0.78 0.86 0.00 0.00 177.93 180.62 2a59 h GLY 143 N 2.81 0.36 0.87 2.45 0.00 -1.81 -2.02 103.07 105.73 2a59 h GLY 143 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2a59 h GLY 143 CO 0.00 0.14 -0.16 3.43 0.00 0.00 0.00 176.54 179.95 2a59 h ASN 144 N 0.35 -0.40 -0.88 0.19 -0.26 -1.67 -0.19 115.58 112.71 2a59 h ASN 144 Ca 0.09 0.03 0.08 0.00 -0.56 0.00 0.00 56.30 55.94 2a59 h ASN 144 Cb -0.01 0.13 -0.07 0.00 -1.06 0.00 0.00 38.32 37.31 2a59 h ASN 144 CO -0.02 -0.24 0.54 0.44 -1.06 0.00 0.00 177.43 177.09 2a59 h ASP 145 N -0.37 0.83 -0.43 5.81 3.32 -1.56 -0.40 116.42 123.62 2a59 h ASP 145 Ca -0.01 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2a59 h ASP 145 Cb 0.33 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2a59 h ASP 145 CO -0.01 0.51 0.15 -0.50 -1.72 0.00 0.00 179.24 177.67 2a59 h TRP 146 N 0.96 0.74 -0.05 4.55 6.55 -0.95 -0.50 115.95 127.25 2a59 h TRP 146 Ca 0.40 -0.05 -0.00 0.00 0.95 0.00 0.00 58.89 60.19 2a59 h TRP 146 Cb 0.25 -0.22 -0.00 0.00 -0.86 0.00 0.00 29.16 28.32 2a59 h TRP 146 CO -0.03 0.61 0.03 0.78 -1.05 0.00 0.00 178.44 178.78 2a59 h GLY 147 N 0.90 0.07 1.03 1.49 0.00 0.64 -0.82 103.07 106.37 2a59 h GLY 147 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2a59 h GLY 147 CO -0.01 0.03 0.35 1.76 0.00 0.00 0.00 176.54 178.67 2a59 h SER 148 N -0.00 1.01 -0.73 0.19 0.02 -1.01 -2.36 113.55 110.67 2a59 h SER 148 Ca 0.02 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2a59 h SER 148 Cb 0.07 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 2a59 h SER 148 CO -0.00 0.88 0.44 0.00 -1.14 0.00 0.00 176.83 177.01 2a59 h ALA 149 N 1.18 0.93 0.06 3.77 0.00 -0.85 -0.75 119.26 123.61 2a59 h ALA 149 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2a59 h ALA 149 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2a59 h ALA 149 CO -0.03 0.40 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 2a59 h ALA 150 N 1.23 -0.12 -0.05 0.00 0.00 -0.90 -0.34 119.26 119.09 2a59 h ALA 150 Ca 0.26 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2a59 h ALA 150 Cb -0.04 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2a59 h ALA 150 CO -0.05 -0.57 -0.10 0.28 0.00 0.00 0.00 179.25 178.81 2a59 h VAL 151 N -0.13 0.74 -0.24 0.00 2.07 -1.13 -0.08 116.25 117.47 2a59 h VAL 151 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2a59 h VAL 151 Cb 0.13 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2a59 h VAL 151 CO -0.01 0.00 0.03 -0.08 0.02 0.00 0.00 177.57 177.53 2a59 h GLU 152 N -0.14 0.11 -0.11 1.57 4.81 -0.93 -1.86 114.58 118.02 2a59 h GLU 152 Ca 0.06 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2a59 h GLU 152 Cb 0.22 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2a59 h GLU 152 CO -0.14 0.07 -0.32 0.52 -0.73 0.00 0.00 179.01 178.41 2a59 h MET 153 N 0.12 0.22 -0.42 1.92 2.86 -0.88 -1.73 114.93 117.01 2a59 h MET 153 Ca 0.11 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2a59 h MET 153 Cb 0.12 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2a59 h MET 153 CO -0.16 0.53 0.12 0.78 1.06 0.00 0.00 176.91 179.24 2a59 h GLY 154 N 1.08 0.72 0.72 8.32 0.00 -0.58 -1.82 103.07 111.50 2a59 h GLY 154 Ca 0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2a59 h GLY 154 CO 0.05 0.41 -0.02 1.41 0.00 0.00 0.00 176.54 178.38 2a59 h LEU 155 N 0.55 -0.06 -2.84 3.11 3.38 -1.16 -2.74 115.31 115.55 2a59 h LEU 155 Ca 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2a59 h LEU 155 Cb 0.29 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2a59 h LEU 155 CO -0.00 0.23 0.04 0.11 0.09 0.00 0.00 178.44 178.91 2a59 h LYS 156 N -0.35 0.00 -0.00 1.13 1.57 -1.28 0.63 116.57 118.27 2a59 h LYS 156 Ca -0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 2a59 h LYS 156 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2a59 h LYS 156 CO 0.01 0.00 -0.82 0.00 -0.57 0.00 0.00 179.45 178.07 2a59 h ALA 157 N 1.92 0.62 -0.02 3.86 0.00 -1.02 -3.51 119.26 121.11 2a59 h ALA 157 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2a59 h ALA 157 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2a59 h ALA 157 CO -0.00 0.92 0.00 1.28 0.00 0.00 0.00 179.25 181.45