#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a58 s LYS 14 N 0.00 1.62 -0.45 3.23 -0.14 -1.26 -4.36 119.74 118.37 2a58 s LYS 14 Ca 0.00 -0.67 0.08 0.00 -1.36 0.00 0.00 55.97 54.01 2a58 s LYS 14 Cb 0.00 -1.52 0.26 0.00 -1.68 0.00 0.00 37.83 34.89 2a58 s LYS 14 CO 0.00 0.38 0.61 0.41 -0.76 0.00 0.00 175.35 175.98 2a58 n GLY 15 N 2.73 3.48 0.25 -3.33 0.00 0.12 -4.94 105.19 103.49 2a58 n GLY 15 Ca -0.16 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.03 2a58 n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a58 h PRO 16 N 3.92 0.00 0.00 1.61 0.11 -1.73 -2.74 132.00 133.17 2a58 h PRO 16 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2a58 h PRO 16 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2a58 h PRO 16 CO 0.56 0.08 -0.79 0.39 -0.21 0.00 0.00 178.00 178.04 2a58 n GLU 17 N -4.36 0.07 -1.92 1.05 1.02 -1.26 -4.38 120.64 110.85 2a58 n GLU 17 Ca -0.03 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 2a58 n GLU 17 Cb 0.16 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2a58 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a58 s LEU 18 N -3.21 4.37 -0.21 -4.62 1.43 -1.03 -5.01 118.68 110.40 2a58 s LEU 18 Ca 0.08 2.81 -0.04 0.00 -1.03 0.00 0.00 54.13 55.95 2a58 s LEU 18 Cb 0.16 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 2a58 s LEU 18 CO 0.78 -0.77 -0.03 -0.13 0.23 0.00 0.00 176.35 176.43 2a58 s ARG 19 N -0.85 3.48 -0.02 1.70 0.52 -1.26 -4.72 118.95 117.80 2a58 s ARG 19 Ca 0.58 -0.58 0.07 0.00 -0.52 0.00 0.00 55.73 55.27 2a58 s ARG 19 Cb -0.44 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 2a58 s ARG 19 CO 0.49 -0.10 -0.22 0.42 0.02 0.00 0.00 175.30 175.91 2a58 s ILE 20 N 1.25 1.76 -0.08 1.52 1.01 -0.31 -0.36 121.20 125.99 2a58 s ILE 20 Ca 0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 2a58 s ILE 20 Cb -0.14 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2a58 s ILE 20 CO -0.00 0.50 -0.03 -0.22 0.00 0.00 0.00 174.94 175.19 2a58 s LEU 21 N -0.49 3.40 -0.20 2.97 2.96 -0.61 -1.63 118.68 125.08 2a58 s LEU 21 Ca 0.08 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2a58 s LEU 21 Cb -0.09 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.89 2a58 s LEU 21 CO -0.01 0.36 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.74 2a58 s ILE 22 N -0.77 0.97 -0.18 6.68 1.01 -0.22 -0.51 121.20 128.18 2a58 s ILE 22 Ca 0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 2a58 s ILE 22 Cb -0.11 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2a58 s ILE 22 CO 0.02 -0.12 -0.02 -0.69 0.00 0.00 0.00 174.94 174.13 2a58 s VAL 23 N 1.66 3.88 0.07 2.92 1.01 -0.79 -1.22 120.40 127.93 2a58 s VAL 23 Ca -0.03 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2a58 s VAL 23 Cb -0.17 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2a58 s VAL 23 CO -0.07 0.46 -0.12 -1.38 0.00 0.00 0.00 175.10 173.99 2a58 s HIS 24 N 0.68 1.08 0.85 5.22 -3.43 -1.10 -1.17 115.29 117.42 2a58 s HIS 24 Ca -0.01 -0.50 -0.12 0.00 -0.80 0.00 0.00 55.06 53.63 2a58 s HIS 24 Cb -0.14 -0.61 0.14 0.00 -1.43 0.00 0.00 32.58 30.54 2a58 s HIS 24 CO 0.02 0.02 1.20 0.00 -2.00 0.00 0.00 174.74 173.98 2a58 s ALA 25 N -1.50 2.67 -0.45 -1.38 0.00 -0.50 -1.59 121.76 119.01 2a58 s ALA 25 Ca -0.02 -1.10 0.11 0.00 0.00 0.00 0.00 51.96 50.95 2a58 s ALA 25 Cb -0.09 -2.69 -0.13 0.00 0.00 0.00 0.00 23.12 20.21 2a58 s ALA 25 CO 0.02 -1.95 0.45 0.54 0.00 0.00 0.00 175.76 174.81 2a58 n ARG 26 N -3.41 2.77 -2.46 0.00 1.74 -0.80 -4.80 116.66 109.71 2a58 n ARG 26 Ca 0.12 -0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.80 2a58 n ARG 26 Cb 0.60 -1.08 -0.04 0.00 -1.02 0.00 0.00 32.46 30.93 2a58 n ARG 26 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2a58 s TYR 27 N -2.19 3.38 -0.92 -1.55 1.51 -1.24 -3.47 117.35 112.87 2a58 s TYR 27 Ca 0.03 1.65 -0.00 0.00 -1.01 0.00 0.00 57.07 57.74 2a58 s TYR 27 Cb 0.08 -3.26 -0.00 0.00 -0.11 0.00 0.00 41.96 38.67 2a58 s TYR 27 CO 0.47 -0.74 0.77 0.09 -1.11 0.00 0.00 175.55 175.03 2a58 n ASN 28 N 0.57 -2.29 0.33 2.29 3.02 -1.26 -4.66 115.26 113.27 2a58 n ASN 28 Ca 0.02 -0.48 0.22 0.00 -0.03 0.00 0.00 54.58 54.31 2a58 n ASN 28 Cb 0.47 -4.07 1.19 0.00 -0.61 0.00 0.00 39.78 36.75 2a58 n ASN 28 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2a58 h LEU 29 N -1.42 0.00 -0.95 3.41 5.85 -1.92 -1.39 115.31 118.89 2a58 h LEU 29 Ca -0.46 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 2a58 h LEU 29 Cb 1.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2a58 h LEU 29 CO 0.38 0.00 -0.24 1.56 -0.34 0.00 0.00 178.44 179.80 2a58 h GLN 30 N 0.00 0.48 0.03 1.25 4.20 -1.92 -1.79 115.11 117.36 2a58 h GLN 30 Ca -0.00 -0.18 -0.33 0.00 0.06 0.00 0.00 58.65 58.21 2a58 h GLN 30 Cb 0.02 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 2a58 h GLN 30 CO 0.00 0.69 -1.93 0.00 -0.67 0.00 0.00 178.83 176.92 2a58 n ALA 31 N -2.49 1.36 -0.11 3.87 0.00 -0.73 -4.40 120.51 118.01 2a58 n ALA 31 Ca -0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 53.44 52.49 2a58 n ALA 31 Cb 0.40 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 2a58 n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2a58 h ILE 32 N 0.02 1.27 0.02 0.00 2.04 -1.22 -3.02 117.51 116.62 2a58 h ILE 32 Ca -0.37 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.42 2a58 h ILE 32 Cb 2.05 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 2a58 h ILE 32 CO 0.06 0.35 -0.13 -0.33 0.00 0.00 0.00 178.15 178.11 2a58 h GLU 33 N 0.42 -0.23 -0.97 2.37 5.08 -1.54 -0.79 114.58 118.93 2a58 h GLU 33 Ca 0.09 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 2a58 h GLU 33 Cb 0.54 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 2a58 h GLU 33 CO 0.03 -0.15 0.59 -1.35 -1.00 0.00 0.00 179.01 177.13 2a58 h PRO 34 N -0.23 0.88 0.15 2.33 0.11 -1.77 0.52 132.00 133.99 2a58 h PRO 34 Ca 0.04 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 2a58 h PRO 34 Cb 0.28 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2a58 h PRO 34 CO -0.11 0.58 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.11 2a58 h LEU 35 N 0.91 -0.18 -0.21 2.35 4.07 -1.23 -0.75 115.31 120.28 2a58 h LEU 35 Ca 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.46 2a58 h LEU 35 Cb 0.55 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2a58 h LEU 35 CO -0.29 -0.12 0.11 0.58 -1.08 0.00 0.00 178.44 177.63 2a58 h VAL 36 N -0.20 1.12 -0.19 1.22 2.07 -0.57 -2.36 116.25 117.34 2a58 h VAL 36 Ca -0.02 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.22 2a58 h VAL 36 Cb 0.16 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 2a58 h VAL 36 CO 0.03 0.11 -0.34 0.11 0.02 0.00 0.00 177.57 177.51 2a58 h LYS 37 N 0.22 -0.37 -0.95 1.57 6.56 -0.75 -0.55 116.57 122.30 2a58 h LYS 37 Ca 0.07 0.03 0.07 0.00 -1.06 0.00 0.00 60.65 59.76 2a58 h LYS 37 Cb 0.09 0.08 -0.06 0.00 -0.57 0.00 0.00 32.23 31.77 2a58 h LYS 37 CO -0.01 -0.25 0.61 0.78 -2.06 0.00 0.00 179.45 178.53 2a58 h GLY 38 N -0.38 1.42 0.83 3.86 0.00 -1.05 0.29 103.07 108.04 2a58 h GLY 38 Ca 0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2a58 h GLY 38 CO -0.40 0.29 -0.14 0.00 0.00 0.00 0.00 176.54 176.30 2a58 h ALA 39 N 1.50 -0.38 0.68 3.60 0.00 -0.76 -1.29 119.26 122.60 2a58 h ALA 39 Ca 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2a58 h ALA 39 Cb 0.24 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2a58 h ALA 39 CO -0.17 -0.63 -0.33 0.28 0.00 0.00 0.00 179.25 178.41 2a58 h VAL 40 N -0.55 0.33 -0.63 0.00 2.07 -0.73 -2.13 116.25 114.61 2a58 h VAL 40 Ca -0.04 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.56 2a58 h VAL 40 Cb 0.41 0.34 -0.12 0.00 -1.52 0.00 0.00 31.29 30.40 2a58 h VAL 40 CO 0.06 0.00 -0.38 -0.08 0.02 0.00 0.00 177.57 177.20 2a58 h GLU 41 N -0.93 -0.16 -0.66 1.57 4.57 -0.47 -1.17 114.58 117.32 2a58 h GLU 41 Ca -0.09 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.16 2a58 h GLU 41 Cb 0.70 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.28 2a58 h GLU 41 CO 0.15 -0.11 0.37 1.15 -1.18 0.00 0.00 179.01 179.39 2a58 h THR 42 N -0.17 0.97 -0.15 0.32 2.02 -1.15 -0.51 112.91 114.23 2a58 h THR 42 Ca 0.22 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2a58 h THR 42 Cb 0.56 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2a58 h THR 42 CO -0.72 0.13 0.05 0.24 0.37 0.00 0.00 175.52 175.59 2a58 h MET 43 N 0.69 0.24 0.54 6.66 2.86 -0.56 -0.67 114.93 124.69 2a58 h MET 43 Ca 0.30 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2a58 h MET 43 Cb 0.18 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.81 2a58 h MET 43 CO -0.18 0.37 -0.26 0.82 1.06 0.00 0.00 176.91 178.72 2a58 h ILE 44 N 0.07 0.00 0.00 -1.22 1.08 -1.07 -1.47 117.51 114.90 2a58 h ILE 44 Ca 0.05 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 2a58 h ILE 44 Cb 0.23 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 2a58 h ILE 44 CO -0.00 0.00 0.00 -0.33 -0.69 0.00 0.00 178.15 177.13 2a58 h GLU 45 N -0.76 0.00 0.00 2.37 5.08 -1.18 -2.65 114.58 117.44 2a58 h GLU 45 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2a58 h GLU 45 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2a58 h GLU 45 CO 0.12 0.00 -1.12 1.63 -1.00 0.00 0.00 179.01 178.64 2a58 n LYS 46 N -3.02 1.15 -0.01 2.33 4.76 -0.26 -4.76 118.16 118.36 2a58 n LYS 46 Ca 0.00 -0.02 0.01 0.00 -2.87 0.00 0.00 58.31 55.43 2a58 n LYS 46 Cb 0.27 -1.06 0.01 0.00 -1.84 0.00 0.00 35.03 32.41 2a58 n LYS 46 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2a58 n HIS 47 N -1.73 0.00 -3.57 2.13 8.25 -0.62 -4.81 115.22 114.86 2a58 n HIS 47 Ca -0.01 -0.49 -0.26 0.00 -0.26 0.00 0.00 57.72 56.70 2a58 n HIS 47 Cb 0.22 -0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.32 2a58 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2a58 n ASP 48 N -0.52 -5.59 -4.77 0.41 10.43 -0.95 0.16 116.55 115.72 2a58 n ASP 48 Ca 0.01 -0.56 -0.40 0.00 2.57 0.00 0.00 54.79 56.42 2a58 n ASP 48 Cb 0.31 -4.45 -0.06 0.00 1.84 0.00 0.00 41.12 38.76 2a58 n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2a58 s VAL 49 N -3.25 4.30 -0.06 2.53 1.01 -0.80 -3.23 120.40 120.90 2a58 s VAL 49 Ca 0.55 1.82 -0.25 0.00 0.00 0.00 0.00 61.98 64.09 2a58 s VAL 49 Cb -0.26 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2a58 s VAL 49 CO 0.67 0.51 0.79 -0.54 0.00 0.00 0.00 175.10 176.53 2a58 s LYS 50 N -1.11 4.45 0.34 2.72 1.02 -1.26 -4.20 119.74 121.71 2a58 s LYS 50 Ca 0.37 1.03 0.13 0.00 0.02 0.00 0.00 55.97 57.53 2a58 s LYS 50 Cb -0.24 -3.47 0.98 0.00 -0.52 0.00 0.00 37.83 34.59 2a58 s LYS 50 CO 0.28 -0.01 1.72 1.25 -0.92 0.00 0.00 175.35 177.67 2a58 h LEU 51 N 6.96 0.59 -1.77 3.17 6.46 -1.96 0.38 115.31 129.13 2a58 h LEU 51 Ca -0.40 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 2a58 h LEU 51 Cb 1.19 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.17 2a58 h LEU 51 CO 0.76 0.06 -0.05 -0.33 -0.62 0.00 0.00 178.44 178.26 2a58 h GLU 52 N 0.49 0.00 -0.82 1.25 3.07 -2.00 -2.74 114.58 113.82 2a58 h GLU 52 Ca 0.65 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.46 2a58 h GLU 52 Cb 1.40 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.28 2a58 h GLU 52 CO -0.45 0.05 0.07 0.09 -1.40 0.00 0.00 179.01 177.37 2a58 n ASN 53 N -3.22 3.48 -3.83 1.42 5.03 0.13 -4.76 115.26 113.52 2a58 n ASN 53 Ca -0.01 -2.56 -0.29 0.00 0.87 0.00 0.00 54.58 52.59 2a58 n ASN 53 Cb 0.27 -0.61 -0.16 0.00 -1.02 0.00 0.00 39.78 38.25 2a58 n ASN 53 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2a58 s ILE 54 N -1.89 1.07 0.03 2.41 1.01 -1.04 -1.17 121.20 121.63 2a58 s ILE 54 Ca 0.29 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 2a58 s ILE 54 Cb 0.23 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 41.12 2a58 s ILE 54 CO 0.08 -0.26 0.46 -1.81 0.00 0.00 0.00 174.94 173.41 2a58 s ASP 55 N 1.59 6.87 -0.30 3.58 -0.00 -0.64 -5.00 116.67 122.76 2a58 s ASP 55 Ca -0.01 1.04 0.00 0.00 -0.00 0.00 0.00 52.55 53.58 2a58 s ASP 55 Cb -0.18 -2.28 0.09 0.00 -0.00 0.00 0.00 42.92 40.55 2a58 s ASP 55 CO -0.10 0.29 0.07 -0.63 -0.00 0.00 0.00 175.17 174.79 2a58 s ILE 56 N -1.13 1.17 0.49 0.77 1.01 -1.26 -1.06 121.20 121.19 2a58 s ILE 56 Ca 0.27 -1.47 0.09 0.00 0.00 0.00 0.00 60.65 59.53 2a58 s ILE 56 Cb -0.17 -1.81 0.04 0.00 0.01 0.00 0.00 42.46 40.53 2a58 s ILE 56 CO 0.16 -0.55 0.67 -1.61 0.00 0.00 0.00 174.94 173.60 2a58 s GLU 57 N 1.48 2.59 0.08 2.79 0.41 -0.36 -5.01 118.70 120.69 2a58 s GLU 57 Ca 0.07 -1.43 -0.12 0.00 -0.41 0.00 0.00 54.97 53.08 2a58 s GLU 57 Cb -0.18 -2.70 0.01 0.00 -1.78 0.00 0.00 34.13 29.49 2a58 s GLU 57 CO -0.18 -0.54 0.28 -1.54 -0.49 0.00 0.00 175.26 172.78 2a58 s SER 58 N -4.49 -0.05 0.15 -0.19 1.04 -1.26 -2.69 113.70 106.21 2a58 s SER 58 Ca 0.58 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.62 2a58 s SER 58 Cb -0.08 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2a58 s SER 58 CO 0.36 -0.70 0.01 0.68 0.98 0.00 0.00 173.24 174.56 2a58 s VAL 59 N -3.30 0.52 0.10 5.02 -7.23 -0.62 -4.91 120.40 109.99 2a58 s VAL 59 Ca 0.00 -1.95 -0.32 0.00 -1.81 0.00 0.00 61.98 57.90 2a58 s VAL 59 Cb 0.02 -2.04 -0.13 0.00 0.56 0.00 0.00 36.38 34.79 2a58 s VAL 59 CO -0.08 -0.53 1.59 -0.65 -0.31 0.00 0.00 175.10 175.12 2a58 h PRO 60 N 2.78 -0.74 -4.61 4.82 0.11 -1.95 -2.62 132.00 129.79 2a58 h PRO 60 Ca -0.36 0.05 -0.40 0.00 0.11 0.00 0.00 66.00 65.40 2a58 h PRO 60 Cb 1.20 0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.37 2a58 h PRO 60 CO 0.62 -0.49 -0.37 0.20 -0.21 0.00 0.00 178.00 177.75 2a58 s GLY 61 N -2.28 2.05 0.47 -0.55 0.00 -1.26 -1.90 107.32 103.85 2a58 s GLY 61 Ca -0.17 -1.88 0.19 0.00 0.00 0.00 0.00 44.72 42.86 2a58 s GLY 61 CO 0.62 -1.29 1.97 1.76 0.00 0.00 0.00 173.10 176.16 2a58 h SER 62 N 2.11 0.23 -0.56 1.64 0.02 -1.92 -1.77 113.55 113.30 2a58 h SER 62 Ca -0.26 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 2a58 h SER 62 Cb 1.23 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2a58 h SER 62 CO 0.37 0.13 0.37 -0.25 -1.14 0.00 0.00 176.83 176.31 2a58 h TRP 63 N 0.25 0.70 -0.00 3.45 2.91 -1.96 -1.87 115.95 119.42 2a58 h TRP 63 Ca 0.29 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.33 2a58 h TRP 63 Cb 0.80 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.22 2a58 h TRP 63 CO -0.00 0.44 -0.02 0.39 -1.03 0.00 0.00 178.44 178.22 2a58 n GLU 64 N -4.45 0.79 0.08 2.65 4.71 -0.67 -4.17 120.64 119.57 2a58 n GLU 64 Ca 0.05 -0.11 -0.12 0.00 -0.01 0.00 0.00 57.16 56.98 2a58 n GLU 64 Cb 0.05 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 28.93 2a58 n GLU 64 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2a58 h LEU 65 N 0.26 -0.53 -0.30 -4.62 5.85 -1.38 0.23 115.31 114.81 2a58 h LEU 65 Ca 0.00 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2a58 h LEU 65 Cb 0.20 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2a58 h LEU 65 CO 0.00 -0.26 0.14 -0.65 -0.34 0.00 0.00 178.44 177.34 2a58 h PRO 66 N -0.32 0.29 -0.25 5.25 0.11 -1.78 -1.79 132.00 133.51 2a58 h PRO 66 Ca 0.04 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.98 2a58 h PRO 66 Cb 0.37 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2a58 h PRO 66 CO -0.14 0.20 -0.46 1.96 -0.21 0.00 0.00 178.00 179.34 2a58 h GLN 67 N 0.30 0.64 -0.77 1.05 4.20 -1.80 -1.36 115.11 117.39 2a58 h GLN 67 Ca 0.13 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.51 2a58 h GLN 67 Cb 0.05 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 2a58 h GLN 67 CO -0.09 0.97 0.48 0.78 -0.67 0.00 0.00 178.83 180.30 2a58 h GLY 68 N 0.99 1.11 0.72 3.46 0.00 -0.35 -0.84 103.07 108.17 2a58 h GLY 68 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2a58 h GLY 68 CO 0.09 0.31 -0.05 -2.22 0.00 0.00 0.00 176.54 174.67 2a58 h ILE 69 N 0.94 1.31 -1.00 2.60 2.04 -1.19 -2.80 117.51 119.41 2a58 h ILE 69 Ca 0.31 -1.05 0.08 0.00 1.00 0.00 0.00 64.86 65.19 2a58 h ILE 69 Cb 0.02 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 2a58 h ILE 69 CO -0.11 0.30 0.64 -0.09 0.00 0.00 0.00 178.15 178.89 2a58 h ARG 70 N -0.09 1.11 0.23 2.37 2.43 -0.94 -0.37 114.38 119.12 2a58 h ARG 70 Ca 0.03 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2a58 h ARG 70 Cb 0.50 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2a58 h ARG 70 CO 0.02 0.73 -0.11 0.00 -1.51 0.00 0.00 179.97 179.10 2a58 h ALA 71 N 1.47 -0.31 -0.84 2.80 0.00 -1.15 -2.76 119.26 118.48 2a58 h ALA 71 Ca 0.45 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2a58 h ALA 71 Cb 0.23 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2a58 h ALA 71 CO -0.19 -0.59 0.55 0.77 0.00 0.00 0.00 179.25 179.79 2a58 h SER 72 N -0.48 0.93 -0.12 0.00 0.02 -1.19 -1.72 113.55 110.99 2a58 h SER 72 Ca -0.03 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2a58 h SER 72 Cb 0.36 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2a58 h SER 72 CO 0.05 0.66 0.08 0.40 -1.14 0.00 0.00 176.83 176.88 2a58 h ILE 73 N 1.10 0.95 0.00 3.27 1.08 -1.03 -1.63 117.51 121.25 2a58 h ILE 73 Ca 0.32 -0.01 -0.22 0.00 -0.39 0.00 0.00 64.86 64.56 2a58 h ILE 73 Cb -0.07 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2a58 h ILE 73 CO -0.09 0.00 -0.93 0.00 -0.69 0.00 0.00 178.15 176.44 2a58 h ALA 74 N 1.94 0.39 -3.00 1.87 0.00 -1.02 -3.40 119.26 116.04 2a58 h ALA 74 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2a58 h ALA 74 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2a58 h ALA 74 CO -0.00 0.83 0.00 0.54 0.00 0.00 0.00 179.25 180.62 2a58 n ARG 75 N -3.73 0.00 -2.21 0.00 5.12 -0.65 -4.97 116.66 110.22 2a58 n ARG 75 Ca -0.06 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.66 2a58 n ARG 75 Cb 0.83 -0.56 0.11 0.00 -1.16 0.00 0.00 32.46 31.67 2a58 n ARG 75 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2a58 n ASN 76 N -0.33 1.05 -4.36 0.55 3.02 -0.95 -5.10 115.26 109.13 2a58 n ASN 76 Ca 0.00 -1.91 -0.33 0.00 -0.03 0.00 0.00 54.58 52.31 2a58 n ASN 76 Cb 0.00 -0.58 -0.15 0.00 -0.61 0.00 0.00 39.78 38.45 2a58 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a58 s THR 77 N -2.67 2.96 0.14 3.41 2.01 -1.26 -4.57 115.64 115.65 2a58 s THR 77 Ca 0.57 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.92 2a58 s THR 77 Cb -0.03 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 2a58 s THR 77 CO 0.38 0.53 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.41 2a58 s TYR 78 N 0.32 1.32 -0.15 4.92 2.02 -1.26 -4.90 117.35 119.62 2a58 s TYR 78 Ca -0.11 -0.66 0.19 0.00 -0.37 0.00 0.00 57.07 56.13 2a58 s TYR 78 Cb -0.16 -0.68 -0.14 0.00 -0.40 0.00 0.00 41.96 40.58 2a58 s TYR 78 CO 0.06 0.12 0.77 -0.25 -1.57 0.00 0.00 175.55 174.67 2a58 n ASP 79 N 0.13 0.64 -3.46 2.29 9.92 0.52 -4.96 116.55 121.62 2a58 n ASP 79 Ca -0.13 0.27 -0.12 0.00 -0.53 0.00 0.00 54.79 54.28 2a58 n ASP 79 Cb 0.59 0.63 -0.03 0.00 -0.64 0.00 0.00 41.12 41.67 2a58 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a58 s ALA 80 N -3.12 -1.69 0.01 2.24 0.00 -1.24 -4.25 121.76 113.71 2a58 s ALA 80 Ca -0.04 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 52.73 2a58 s ALA 80 Cb 0.10 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 2a58 s ALA 80 CO 0.82 -0.65 -0.02 0.54 0.00 0.00 0.00 175.76 176.45 2a58 s VAL 81 N -3.00 0.08 -0.14 0.00 0.11 -0.37 -1.57 120.40 115.51 2a58 s VAL 81 Ca -0.01 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 2a58 s VAL 81 Cb -0.01 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 2a58 s VAL 81 CO -0.07 -0.37 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.49 2a58 s ILE 82 N -1.08 2.00 -0.31 7.04 1.01 0.33 -0.26 121.20 129.92 2a58 s ILE 82 Ca -0.12 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.47 2a58 s ILE 82 Cb -0.07 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2a58 s ILE 82 CO -0.01 0.54 0.25 -0.83 0.00 0.00 0.00 174.94 174.89 2a58 s GLY 83 N 0.87 1.94 -0.08 6.18 0.00 -0.63 -1.89 107.32 113.70 2a58 s GLY 83 Ca -0.06 -1.18 0.05 0.00 0.00 0.00 0.00 44.72 43.52 2a58 s GLY 83 CO -0.03 0.77 -0.23 -0.42 0.00 0.00 0.00 173.10 173.19 2a58 s ILE 84 N 1.81 2.23 -0.12 0.90 1.01 -0.31 0.45 121.20 127.17 2a58 s ILE 84 Ca 0.08 -0.99 -0.33 0.00 0.00 0.00 0.00 60.65 59.42 2a58 s ILE 84 Cb -0.17 -1.84 0.13 0.00 0.01 0.00 0.00 42.46 40.59 2a58 s ILE 84 CO 0.11 0.56 1.11 -0.83 0.00 0.00 0.00 174.94 175.90 2a58 s GLY 85 N 0.02 -0.35 -0.05 6.18 0.00 -0.79 -1.41 107.32 110.91 2a58 s GLY 85 Ca -0.08 1.35 0.01 0.00 0.00 0.00 0.00 44.72 46.00 2a58 s GLY 85 CO 0.05 0.44 -0.05 0.54 0.00 0.00 0.00 173.10 174.08 2a58 s VAL 86 N -2.64 0.63 -0.12 1.40 0.11 -1.26 -0.77 120.40 117.76 2a58 s VAL 86 Ca 0.08 -0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2a58 s VAL 86 Cb -0.01 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2a58 s VAL 86 CO -0.06 0.25 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.11 2a58 s LEU 87 N 1.03 2.94 -0.10 2.54 1.43 0.10 -4.90 118.68 121.71 2a58 s LEU 87 Ca -0.09 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2a58 s LEU 87 Cb -0.14 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 2a58 s LEU 87 CO -0.00 0.22 -0.22 -0.63 0.23 0.00 0.00 176.35 175.94 2a58 s ILE 88 N 0.05 2.22 0.16 -0.59 1.01 -1.26 -1.33 121.20 121.47 2a58 s ILE 88 Ca -0.03 -0.97 -0.34 0.00 0.00 0.00 0.00 60.65 59.31 2a58 s ILE 88 Cb -0.14 -1.85 -0.14 0.00 0.01 0.00 0.00 42.46 40.33 2a58 s ILE 88 CO 0.04 0.56 1.51 1.17 0.00 0.00 0.00 174.94 178.22 2a58 n LYS 89 N 3.43 1.99 0.00 2.79 0.00 -0.40 -4.85 118.16 121.11 2a58 n LYS 89 Ca -0.19 0.72 0.00 0.00 0.00 0.00 0.00 58.31 58.84 2a58 n LYS 89 Cb 0.53 -2.45 0.00 0.00 0.00 0.00 0.00 35.03 33.11 2a58 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a58 n GLY 90 N 3.09 6.42 0.14 3.14 0.00 -1.26 -4.86 105.19 111.87 2a58 n GLY 90 Ca 0.16 -1.99 0.03 0.00 0.00 0.00 0.00 46.02 44.22 2a58 n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2a58 h SER 91 N 0.00 0.00 -4.87 1.61 0.02 -2.02 -3.47 113.55 104.81 2a58 h SER 91 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2a58 h SER 91 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2a58 h SER 91 CO 0.00 0.51 -0.03 0.35 -1.14 0.00 0.00 176.83 176.51 2a58 n THR 92 N -3.28 0.00 1.65 -2.27 -2.24 -1.26 -5.00 114.28 101.88 2a58 n THR 92 Ca 0.01 -0.71 0.15 0.00 -2.27 0.00 0.00 64.05 61.23 2a58 n THR 92 Cb 0.71 -0.77 0.66 0.00 -2.10 0.00 0.00 70.33 68.83 2a58 n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2a58 n MET 93 N -1.41 1.39 -0.19 -0.78 0.00 -1.26 -4.33 117.12 110.54 2a58 n MET 93 Ca 0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 57.70 57.10 2a58 n MET 93 Cb 0.22 -1.49 0.02 0.00 0.00 0.00 0.00 33.22 31.97 2a58 n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2a58 h HIS 94 N 1.48 -0.80 -0.55 2.03 -0.00 -1.95 -1.90 115.15 113.46 2a58 h HIS 94 Ca 0.00 0.07 0.11 0.00 -0.00 0.00 0.00 60.37 60.54 2a58 h HIS 94 Cb 0.33 0.44 -0.11 0.00 -0.00 0.00 0.00 27.41 28.07 2a58 h HIS 94 CO 0.00 -0.36 -0.24 0.35 -0.00 0.00 0.00 177.93 177.67 2a58 h PHE 95 N -0.14 -0.63 -0.06 5.26 3.57 -1.89 -1.54 116.94 121.51 2a58 h PHE 95 Ca 0.24 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.81 2a58 h PHE 95 Cb 0.54 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2a58 h PHE 95 CO -0.60 -0.33 -0.01 0.93 -2.23 0.00 0.00 178.31 176.08 2a58 h GLU 96 N -0.11 0.01 -0.36 1.11 3.07 -1.66 -1.72 114.58 114.92 2a58 h GLU 96 Ca 0.25 -0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.94 2a58 h GLU 96 Cb 0.50 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2a58 h GLU 96 CO -0.62 0.01 -0.42 1.88 -1.40 0.00 0.00 179.01 178.46 2a58 h TYR 97 N 0.01 1.08 -0.37 4.33 0.05 -1.23 -2.81 116.97 118.04 2a58 h TYR 97 Ca 0.03 -0.34 -0.08 0.00 0.05 0.00 0.00 58.73 58.39 2a58 h TYR 97 Cb 0.04 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 2a58 h TYR 97 CO -0.12 1.16 -0.08 0.82 -1.05 0.00 0.00 178.16 178.89 2a58 h ILE 98 N 0.72 1.28 -0.22 -2.88 1.08 -1.30 -1.97 117.51 114.21 2a58 h ILE 98 Ca 0.05 -1.15 0.05 0.00 -0.39 0.00 0.00 64.86 63.42 2a58 h ILE 98 Cb 1.01 1.27 -0.05 0.00 -3.07 0.00 0.00 36.82 35.98 2a58 h ILE 98 CO 0.10 0.38 -0.07 0.28 -0.69 0.00 0.00 178.15 178.15 2a58 h SER 99 N 0.50 -0.25 -0.38 1.72 0.02 -1.33 0.11 113.55 113.95 2a58 h SER 99 Ca 0.09 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2a58 h SER 99 Cb 0.59 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2a58 h SER 99 CO 0.03 -0.09 0.18 -0.08 -1.14 0.00 0.00 176.83 175.74 2a58 h GLU 100 N -0.02 0.54 -0.40 3.45 4.81 -1.46 -1.76 114.58 119.74 2a58 h GLU 100 Ca 0.11 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2a58 h GLU 100 Cb 0.19 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2a58 h GLU 100 CO -0.25 0.47 0.07 0.00 -0.73 0.00 0.00 179.01 178.58 2a58 h ALA 101 N 1.04 0.53 -0.32 2.92 0.00 -0.98 -1.59 119.26 120.86 2a58 h ALA 101 Ca 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2a58 h ALA 101 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2a58 h ALA 101 CO -0.02 0.24 0.04 0.28 0.00 0.00 0.00 179.25 179.79 2a58 h VAL 102 N 0.51 1.24 -0.37 0.00 2.07 -0.75 0.38 116.25 119.33 2a58 h VAL 102 Ca 0.12 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2a58 h VAL 102 Cb 0.36 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2a58 h VAL 102 CO 0.01 0.28 0.17 0.58 0.02 0.00 0.00 177.57 178.62 2a58 h VAL 103 N 0.36 1.17 -0.54 2.57 2.07 -1.30 -0.83 116.25 119.76 2a58 h VAL 103 Ca 0.10 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2a58 h VAL 103 Cb 0.36 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2a58 h VAL 103 CO 0.01 0.19 0.21 -0.74 0.02 0.00 0.00 177.57 177.26 2a58 h HIS 104 N 0.45 0.77 -0.28 1.57 6.17 -1.20 -2.60 115.15 120.03 2a58 h HIS 104 Ca 0.13 -0.04 -0.15 0.00 0.71 0.00 0.00 60.37 61.01 2a58 h HIS 104 Cb 0.14 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.82 2a58 h HIS 104 CO -0.01 0.60 -0.45 0.78 0.71 0.00 0.00 177.93 179.56 2a58 h GLY 105 N 0.90 0.78 1.29 5.26 0.00 -0.34 -1.51 103.07 109.43 2a58 h GLY 105 Ca 0.18 -0.83 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 2a58 h GLY 105 CO -0.02 0.75 -0.27 1.41 0.00 0.00 0.00 176.54 178.41 2a58 h LEU 106 N 0.57 0.83 -0.70 3.11 3.38 -1.03 -1.04 115.31 120.43 2a58 h LEU 106 Ca 0.04 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2a58 h LEU 106 Cb 1.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2a58 h LEU 106 CO 0.09 1.06 0.34 -0.03 0.09 0.00 0.00 178.44 179.99 2a58 h MET 107 N 0.69 1.01 -0.07 1.13 4.05 -1.36 -2.11 114.93 118.26 2a58 h MET 107 Ca 0.08 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2a58 h MET 107 Cb 0.81 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 2a58 h MET 107 CO 0.07 0.79 0.01 -0.09 0.23 0.00 0.00 176.91 177.91 2a58 h ARG 108 N 0.98 0.12 -0.84 0.39 2.43 -0.91 -2.25 114.38 114.30 2a58 h ARG 108 Ca 0.24 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.47 2a58 h ARG 108 Cb 0.11 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 2a58 h ARG 108 CO -0.03 0.37 0.49 0.28 -1.51 0.00 0.00 179.97 179.57 2a58 h VAL 109 N -0.14 0.93 -0.05 0.20 2.07 -1.07 0.13 116.25 118.31 2a58 h VAL 109 Ca 0.02 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2a58 h VAL 109 Cb 0.31 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2a58 h VAL 109 CO 0.00 0.15 0.02 1.23 0.02 0.00 0.00 177.57 179.00 2a58 h GLY 110 N 0.83 0.07 1.82 2.17 0.00 -1.29 -1.85 103.07 104.82 2a58 h GLY 110 Ca 0.40 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.60 2a58 h GLY 110 CO -0.24 0.03 -0.39 1.41 0.00 0.00 0.00 176.54 177.36 2a58 h LEU 111 N -0.04 0.21 -0.22 3.11 3.38 -0.91 -0.48 115.31 120.37 2a58 h LEU 111 Ca 0.02 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2a58 h LEU 111 Cb 0.11 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2a58 h LEU 111 CO -0.00 0.58 -0.30 0.44 0.09 0.00 0.00 178.44 179.25 2a58 h ASP 112 N 0.17 0.64 0.99 -0.43 3.32 -0.68 -3.33 116.42 117.11 2a58 h ASP 112 Ca 0.02 -0.51 -0.18 0.00 0.02 0.00 0.00 57.03 56.38 2a58 h ASP 112 Cb 0.76 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 2a58 h ASP 112 CO 0.06 1.03 -1.07 0.77 -1.72 0.00 0.00 179.24 178.30 2a58 h SER 113 N 0.27 0.00 0.00 6.45 4.64 -1.29 -3.48 113.55 120.15 2a58 h SER 113 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2a58 h SER 113 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2a58 h SER 113 CO 0.07 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 2a58 n GLY 114 N 1.36 0.89 3.71 -0.77 0.00 -0.19 -5.03 105.19 105.16 2a58 n GLY 114 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2a58 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a58 s VAL 115 N -3.21 5.23 0.13 1.61 1.01 -1.19 -5.03 120.40 118.95 2a58 s VAL 115 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 61.98 62.42 2a58 s VAL 115 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2a58 s VAL 115 CO 0.00 0.33 1.64 -2.84 0.00 0.00 0.00 175.10 174.23 2a58 s PRO 116 N 0.74 4.19 -0.24 2.72 0.02 -1.26 -4.46 135.00 136.70 2a58 s PRO 116 Ca 0.21 2.40 -0.00 0.00 0.02 0.00 0.00 61.00 63.63 2a58 s PRO 116 Cb -0.14 -3.36 0.03 0.00 0.02 0.00 0.00 34.50 31.05 2a58 s PRO 116 CO 0.07 -0.69 -0.09 0.08 -0.33 0.00 0.00 177.00 176.04 2a58 s VAL 117 N 1.86 2.60 -0.07 3.83 1.01 -1.26 -1.24 120.40 127.14 2a58 s VAL 117 Ca 0.73 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 2a58 s VAL 117 Cb -0.43 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2a58 s VAL 117 CO 0.32 0.18 0.64 -0.63 0.00 0.00 0.00 175.10 175.62 2a58 s ILE 118 N 1.27 5.06 -0.42 2.22 1.09 0.64 -4.97 121.20 126.08 2a58 s ILE 118 Ca -0.01 1.32 -0.29 0.00 -1.10 0.00 0.00 60.65 60.57 2a58 s ILE 118 Cb -0.17 -3.98 0.02 0.00 -1.06 0.00 0.00 42.46 37.27 2a58 s ILE 118 CO -0.06 0.29 1.16 -0.22 -0.10 0.00 0.00 174.94 176.01 2a58 s LEU 119 N 0.63 3.72 -0.30 2.97 2.96 -1.26 -1.61 118.68 125.79 2a58 s LEU 119 Ca 0.34 0.69 0.07 0.00 -0.22 0.00 0.00 54.13 55.01 2a58 s LEU 119 Cb -0.17 -3.55 0.45 0.00 0.50 0.00 0.00 46.19 43.43 2a58 s LEU 119 CO 0.16 -1.17 1.25 0.61 -1.32 0.00 0.00 176.35 175.89 2a58 n GLY 120 N 4.60 6.10 3.64 7.98 0.00 0.17 -4.95 105.19 122.75 2a58 n GLY 120 Ca 0.13 -2.36 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 2a58 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a58 s LEU 121 N -3.54 4.10 -0.20 0.99 0.20 -1.23 -1.89 118.68 117.11 2a58 s LEU 121 Ca 0.49 0.19 -0.09 0.00 0.69 0.00 0.00 54.13 55.42 2a58 s LEU 121 Cb 0.41 -2.23 -0.05 0.00 -0.43 0.00 0.00 46.19 43.89 2a58 s LEU 121 CO 0.02 -0.01 0.11 -0.76 -0.29 0.00 0.00 176.35 175.41 2a58 s LEU 122 N 1.36 4.02 -0.54 -0.68 1.43 0.05 -4.96 118.68 119.37 2a58 s LEU 122 Ca 0.11 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 2a58 s LEU 122 Cb -0.14 -2.04 0.14 0.00 0.03 0.00 0.00 46.19 44.17 2a58 s LEU 122 CO 0.07 0.16 0.29 0.42 0.23 0.00 0.00 176.35 177.51 2a58 s THR 123 N 0.49 2.56 0.41 5.49 -4.23 -1.26 0.02 115.64 119.12 2a58 s THR 123 Ca 0.06 -3.41 0.08 0.00 -1.18 0.00 0.00 61.69 57.24 2a58 s THR 123 Cb -0.12 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2a58 s THR 123 CO -0.00 -0.83 0.31 0.68 -0.54 0.00 0.00 174.62 174.23 2a58 s VAL 124 N -0.41 2.64 0.02 2.29 -7.23 -0.44 -5.01 120.40 112.26 2a58 s VAL 124 Ca 0.18 -1.46 0.11 0.00 -1.81 0.00 0.00 61.98 59.00 2a58 s VAL 124 Cb -0.23 -3.01 -0.21 0.00 0.56 0.00 0.00 36.38 33.49 2a58 s VAL 124 CO -0.02 -0.02 0.96 -0.07 -0.31 0.00 0.00 175.10 175.64 2a58 h LEU 125 N 1.18 0.00 -7.70 1.32 -0.00 -1.93 -1.06 115.31 107.11 2a58 h LEU 125 Ca -0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.44 2a58 h LEU 125 Cb 1.26 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.82 2a58 h LEU 125 CO 0.61 0.96 0.03 0.54 -0.00 0.00 0.00 178.44 180.58 2a58 s ASN 126 N -6.34 -0.25 0.31 -0.43 2.20 -1.26 -4.10 114.94 105.06 2a58 s ASN 126 Ca -0.02 -0.50 0.06 0.00 -0.94 0.00 0.00 52.86 51.46 2a58 s ASN 126 Cb 0.09 0.58 0.73 0.00 -2.00 0.00 0.00 41.25 40.65 2a58 s ASN 126 CO 0.82 -1.06 1.79 -0.33 -2.94 0.00 0.00 177.10 175.38 2a58 h GLU 127 N 2.20 0.76 -0.37 3.55 4.39 -1.97 -2.21 114.58 120.92 2a58 h GLU 127 Ca -0.28 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.41 2a58 h GLU 127 Cb 1.26 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.70 2a58 h GLU 127 CO 0.37 0.50 0.16 0.93 -1.16 0.00 0.00 179.01 179.81 2a58 h GLU 128 N 0.78 0.33 -0.49 2.33 3.07 -1.99 -1.32 114.58 117.29 2a58 h GLU 128 Ca 0.56 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.45 2a58 h GLU 128 Cb 0.85 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 2a58 h GLU 128 CO -0.35 0.22 0.33 1.96 -1.40 0.00 0.00 179.01 179.77 2a58 h GLN 129 N 0.34 0.43 0.02 2.33 4.20 -1.82 -0.57 115.11 120.04 2a58 h GLN 129 Ca 0.16 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2a58 h GLN 129 Cb 0.11 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2a58 h GLN 129 CO -0.14 0.29 -0.01 0.00 -0.67 0.00 0.00 178.83 178.30 2a58 h ALA 130 N 1.73 -0.03 -0.98 3.87 0.00 -1.31 -2.88 119.26 119.67 2a58 h ALA 130 Ca 0.21 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2a58 h ALA 130 Cb 0.26 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2a58 h ALA 130 CO -0.05 -0.22 0.64 -0.07 0.00 0.00 0.00 179.25 179.55 2a58 h LEU 131 N -0.63 1.06 -1.04 0.00 3.38 -0.90 -1.63 115.31 115.56 2a58 h LEU 131 Ca -0.00 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2a58 h LEU 131 Cb 0.59 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2a58 h LEU 131 CO 0.00 0.72 0.65 0.22 0.09 0.00 0.00 178.44 180.12 2a58 h TYR 132 N 1.23 1.21 -0.00 1.13 3.20 -1.14 -0.31 116.97 122.29 2a58 h TYR 132 Ca 0.39 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2a58 h TYR 132 Cb 0.01 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.88 2a58 h TYR 132 CO -0.00 0.70 -0.02 0.54 -1.64 0.00 0.00 178.16 177.74 2a58 n ARG 133 N -4.44 1.10 -0.33 1.82 1.74 -0.68 -2.76 116.66 113.11 2a58 n ARG 133 Ca 0.13 -0.31 0.11 0.00 -0.77 0.00 0.00 57.85 57.01 2a58 n ARG 133 Cb 0.09 -1.49 0.29 0.00 -1.02 0.00 0.00 32.46 30.33 2a58 n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a58 n ALA 134 N -0.68 2.35 0.00 7.54 0.00 -0.18 -1.42 120.51 128.12 2a58 n ALA 134 Ca 0.20 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2a58 n ALA 134 Cb 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2a58 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a58 n GLY 135 N 1.46 1.30 3.89 0.00 0.00 -1.11 -4.54 105.19 106.19 2a58 n GLY 135 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2a58 n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a58 s LEU 136 N 0.00 2.67 -1.68 0.99 1.02 -0.89 -3.86 118.68 116.93 2a58 s LEU 136 Ca 0.00 0.96 -0.16 0.00 0.02 0.00 0.00 54.13 54.95 2a58 s LEU 136 Cb 0.00 -3.59 0.14 0.00 0.02 0.00 0.00 46.19 42.76 2a58 s LEU 136 CO 0.00 -1.67 0.67 0.59 0.02 0.00 0.00 176.35 175.96 2a58 n ASN 137 N -3.19 -2.49 0.00 2.29 3.02 -1.26 -1.00 115.26 112.63 2a58 n ASN 137 Ca 0.07 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 2a58 n ASN 137 Cb 0.59 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 2a58 n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a58 n GLY 138 N -1.50 0.78 3.96 7.41 0.00 -1.26 -4.99 105.19 109.59 2a58 n GLY 138 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2a58 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a58 s GLY 139 N -1.89 1.76 -0.16 -0.02 0.00 -0.17 -5.08 107.32 101.77 2a58 s GLY 139 Ca 0.00 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 43.37 2a58 s GLY 139 CO 0.00 -0.83 0.24 -1.58 0.00 0.00 0.00 173.10 170.93 2a58 s HIS 140 N -3.07 3.48 -0.29 1.90 5.65 -1.18 -4.18 115.29 117.59 2a58 s HIS 140 Ca 0.61 0.54 -0.29 0.00 0.25 0.00 0.00 55.06 56.17 2a58 s HIS 140 Cb -0.09 -2.24 -0.01 0.00 -1.18 0.00 0.00 32.58 29.06 2a58 s HIS 140 CO 0.43 0.33 1.40 1.21 -0.65 0.00 0.00 174.74 177.45 2a58 s ASN 141 N 0.18 6.56 0.08 9.88 3.84 -1.26 -3.51 114.94 130.70 2a58 s ASN 141 Ca 0.14 1.28 0.24 0.00 0.21 0.00 0.00 52.86 54.73 2a58 s ASN 141 Cb -0.13 -2.54 0.95 0.00 -0.55 0.00 0.00 41.25 38.99 2a58 s ASN 141 CO 0.03 -1.16 1.74 1.41 -2.79 0.00 0.00 177.10 176.33 2a58 n HIS 142 N 7.97 0.29 0.10 0.43 8.25 -0.50 -2.94 115.22 128.82 2a58 n HIS 142 Ca 0.16 0.10 0.01 0.00 -0.26 0.00 0.00 57.72 57.73 2a58 n HIS 142 Cb 0.46 -0.66 0.35 0.00 1.12 0.00 0.00 29.99 31.27 2a58 n HIS 142 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2a58 h GLY 143 N 3.84 0.28 0.92 -1.41 0.00 -1.81 -1.96 103.07 102.92 2a58 h GLY 143 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2a58 h GLY 143 CO 0.00 0.17 0.10 3.43 0.00 0.00 0.00 176.54 180.24 2a58 h ASN 144 N 0.24 0.28 -0.83 0.19 -0.26 -1.65 -0.75 115.58 112.79 2a58 h ASN 144 Ca 0.05 -0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.66 2a58 h ASN 144 Cb 0.46 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.60 2a58 h ASN 144 CO 0.03 0.34 0.55 0.44 -1.06 0.00 0.00 177.43 177.72 2a58 h ASP 145 N 0.21 0.96 0.08 5.81 3.32 -1.60 -1.94 116.42 123.26 2a58 h ASP 145 Ca 0.07 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 2a58 h ASP 145 Cb 0.13 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2a58 h ASP 145 CO -0.01 0.70 -0.25 -0.50 -1.72 0.00 0.00 179.24 177.47 2a58 h TRP 146 N 1.13 0.31 -0.24 4.55 6.55 -1.05 -1.20 115.95 126.00 2a58 h TRP 146 Ca 0.30 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 60.06 2a58 h TRP 146 Cb -0.12 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.09 2a58 h TRP 146 CO -0.01 0.51 0.05 0.78 -1.05 0.00 0.00 178.44 178.72 2a58 h GLY 147 N 0.97 0.41 1.69 1.49 0.00 -0.41 -0.93 103.07 106.29 2a58 h GLY 147 Ca 0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2a58 h GLY 147 CO 0.04 0.24 -0.28 1.76 0.00 0.00 0.00 176.54 178.31 2a58 h SER 148 N 0.20 0.36 -0.50 0.19 0.02 -1.14 -2.36 113.55 110.33 2a58 h SER 148 Ca 0.07 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 2a58 h SER 148 Cb 0.29 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2a58 h SER 148 CO 0.00 0.64 -0.17 0.00 -1.14 0.00 0.00 176.83 176.16 2a58 h ALA 149 N 1.39 0.73 0.21 3.77 0.00 -1.00 -1.35 119.26 123.01 2a58 h ALA 149 Ca 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2a58 h ALA 149 Cb 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2a58 h ALA 149 CO 0.05 0.67 -0.10 0.00 0.00 0.00 0.00 179.25 179.87 2a58 h ALA 150 N 0.91 -0.28 -0.24 0.00 0.00 -0.92 -0.44 119.26 118.30 2a58 h ALA 150 Ca 0.12 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2a58 h ALA 150 Cb 0.75 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2a58 h ALA 150 CO 0.06 -0.65 -0.01 0.28 0.00 0.00 0.00 179.25 178.93 2a58 h VAL 151 N -0.28 0.82 -0.37 0.00 2.07 -1.33 0.71 116.25 117.86 2a58 h VAL 151 Ca -0.03 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2a58 h VAL 151 Cb 0.22 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2a58 h VAL 151 CO 0.05 0.01 0.22 -0.08 0.02 0.00 0.00 177.57 177.79 2a58 h GLU 152 N 0.06 0.51 -0.06 1.57 4.81 -1.09 -1.78 114.58 118.61 2a58 h GLU 152 Ca 0.11 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 2a58 h GLU 152 Cb 0.15 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2a58 h GLU 152 CO -0.20 0.39 -0.37 0.52 -0.73 0.00 0.00 179.01 178.62 2a58 h MET 153 N 0.49 0.12 -0.29 1.92 2.86 -0.83 -2.07 114.93 117.14 2a58 h MET 153 Ca 0.13 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2a58 h MET 153 Cb 0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2a58 h MET 153 CO -0.02 0.48 0.10 0.78 1.06 0.00 0.00 176.91 179.31 2a58 h GLY 154 N 1.16 0.47 0.80 8.32 0.00 -0.36 -2.51 103.07 110.95 2a58 h GLY 154 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2a58 h GLY 154 CO 0.05 0.25 0.02 1.41 0.00 0.00 0.00 176.54 178.27 2a58 h LEU 155 N 0.31 0.23 -2.40 3.11 3.38 -1.15 -2.73 115.31 116.07 2a58 h LEU 155 Ca 0.09 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2a58 h LEU 155 Cb 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2a58 h LEU 155 CO -0.01 0.45 0.00 0.11 0.09 0.00 0.00 178.44 179.08 2a58 h LYS 156 N 0.01 0.00 -0.00 1.13 1.57 -1.35 0.36 116.57 118.28 2a58 h LYS 156 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2a58 h LYS 156 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2a58 h LYS 156 CO 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 179.45 178.81 2a58 n ALA 157 N -1.99 2.69 0.42 3.86 0.00 -0.95 -5.10 120.51 119.44 2a58 n ALA 157 Ca -0.02 -0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.24 2a58 n ALA 157 Cb 0.08 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.19 2a58 n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78