#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 1.52 -0.46 3.23 -0.14 -1.26 -4.47 119.74 118.16 2a59 s LYS 14 Ca 0.00 -0.78 0.06 0.00 -1.36 0.00 0.00 55.97 53.90 2a59 s LYS 14 Cb 0.00 -1.52 0.22 0.00 -1.68 0.00 0.00 37.83 34.85 2a59 s LYS 14 CO 0.00 0.41 0.51 0.41 -0.76 0.00 0.00 175.35 175.92 2a59 n GLY 15 N 2.36 3.09 0.25 -3.33 0.00 -0.01 -4.94 105.19 102.60 2a59 n GLY 15 Ca -0.16 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 -0.01 1.61 0.11 -1.75 -2.44 132.00 134.04 2a59 h PRO 16 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2a59 h PRO 16 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2a59 h PRO 16 CO 0.52 0.08 -0.27 0.39 -0.21 0.00 0.00 178.00 178.51 2a59 n GLU 17 N -4.35 1.11 -2.22 1.05 1.02 -1.26 -4.43 120.64 111.56 2a59 n GLU 17 Ca -0.03 -0.75 -0.41 0.00 -0.02 0.00 0.00 57.16 55.95 2a59 n GLU 17 Cb 0.16 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.41 4.46 -0.29 -4.62 1.43 -0.92 -5.01 118.68 111.32 2a59 s LEU 18 Ca 0.25 2.54 -0.03 0.00 -1.03 0.00 0.00 54.13 55.85 2a59 s LEU 18 Cb 0.19 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.81 2a59 s LEU 18 CO 0.50 -0.43 0.01 -0.13 0.23 0.00 0.00 176.35 176.54 2a59 s ARG 19 N -1.47 2.73 -0.07 1.70 0.52 -1.26 -4.74 118.95 116.35 2a59 s ARG 19 Ca 0.49 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 2a59 s ARG 19 Cb -0.37 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 2a59 s ARG 19 CO 0.48 -0.52 -0.09 0.42 0.02 0.00 0.00 175.30 175.61 2a59 s ILE 20 N 1.35 3.54 -0.09 1.52 1.09 -0.61 -0.14 121.20 127.85 2a59 s ILE 20 Ca -0.01 -0.53 -0.00 0.00 -1.10 0.00 0.00 60.65 59.00 2a59 s ILE 20 Cb -0.18 -2.45 -0.03 0.00 -1.06 0.00 0.00 42.46 38.75 2a59 s ILE 20 CO -0.01 0.58 -0.06 -0.22 -0.10 0.00 0.00 174.94 175.13 2a59 s LEU 21 N -0.63 3.18 -0.16 2.97 2.96 -0.56 -1.34 118.68 125.10 2a59 s LEU 21 Ca 0.09 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2a59 s LEU 21 Cb -0.11 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.90 2a59 s LEU 21 CO 0.02 0.31 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.62 2a59 s ILE 22 N -0.50 1.44 -0.17 6.68 1.01 0.09 -0.87 121.20 128.89 2a59 s ILE 22 Ca 0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 2a59 s ILE 22 Cb -0.12 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 2a59 s ILE 22 CO 0.02 0.33 -0.13 -0.69 0.00 0.00 0.00 174.94 174.47 2a59 s VAL 23 N 1.52 2.80 0.10 2.92 1.01 -0.72 -0.80 120.40 127.23 2a59 s VAL 23 Ca 0.03 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2a59 s VAL 23 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2a59 s VAL 23 CO -0.09 0.50 -0.15 -1.38 0.00 0.00 0.00 175.10 173.97 2a59 s HIS 24 N 0.98 1.41 0.82 5.22 -3.43 -1.00 -0.96 115.29 118.33 2a59 s HIS 24 Ca -0.02 -0.50 -0.08 0.00 -0.80 0.00 0.00 55.06 53.66 2a59 s HIS 24 Cb -0.15 -0.76 0.15 0.00 -1.43 0.00 0.00 32.58 30.39 2a59 s HIS 24 CO -0.02 0.13 1.14 0.00 -2.00 0.00 0.00 174.74 173.99 2a59 s ALA 25 N -1.72 2.97 -0.69 -1.38 0.00 -0.40 -1.03 121.76 119.51 2a59 s ALA 25 Ca 0.05 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.72 2a59 s ALA 25 Cb -0.07 -2.45 0.12 0.00 0.00 0.00 0.00 23.12 20.72 2a59 s ALA 25 CO 0.03 -1.86 0.93 0.54 0.00 0.00 0.00 175.76 175.40 2a59 n ARG 26 N -3.26 1.38 -2.69 0.00 1.74 -0.02 -4.77 116.66 109.05 2a59 n ARG 26 Ca 0.14 -1.35 -0.40 0.00 -0.77 0.00 0.00 57.85 55.47 2a59 n ARG 26 Cb 0.60 -1.14 -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 -0.77 3.87 -1.21 -1.55 1.51 -1.20 -3.76 117.35 114.23 2a59 s TYR 27 Ca 0.11 1.84 -0.00 0.00 -1.01 0.00 0.00 57.07 58.00 2a59 s TYR 27 Cb 0.06 -3.06 -0.00 0.00 -0.11 0.00 0.00 41.96 38.85 2a59 s TYR 27 CO 0.09 0.19 0.95 0.09 -1.11 0.00 0.00 175.55 175.75 2a59 n ASN 28 N 1.82 -2.11 -0.07 2.29 3.02 -1.26 -4.54 115.26 114.40 2a59 n ASN 28 Ca -0.01 -0.66 0.17 0.00 -0.03 0.00 0.00 54.58 54.06 2a59 n ASN 28 Cb 0.47 -4.95 0.60 0.00 -0.61 0.00 0.00 39.78 35.28 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 -1.86 0.19 -1.59 3.41 5.85 -1.92 -0.90 115.31 118.48 2a59 h LEU 29 Ca -0.59 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.24 2a59 h LEU 29 Cb 1.34 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 2a59 h LEU 29 CO 0.51 0.10 0.43 1.56 -0.34 0.00 0.00 178.44 180.70 2a59 h GLN 30 N 0.21 0.44 0.01 1.25 1.08 -1.93 -1.51 115.11 114.66 2a59 h GLN 30 Ca 0.30 -0.03 -0.31 0.00 -1.45 0.00 0.00 58.65 57.17 2a59 h GLN 30 Cb 0.90 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 28.18 2a59 h GLN 30 CO -0.06 0.29 -1.81 0.00 -0.95 0.00 0.00 178.83 176.31 2a59 n ALA 31 N -2.51 1.42 -0.07 3.87 0.00 -0.40 -4.43 120.51 118.39 2a59 n ALA 31 Ca 0.11 -0.80 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 2a59 n ALA 31 Cb 0.38 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 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 1.32 -0.09 0.00 2.04 -0.77 -3.21 117.51 116.81 2a59 h ILE 32 Ca -0.33 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.24 2a59 h ILE 32 Cb 2.04 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 39.78 2a59 h ILE 32 CO 0.07 0.41 -0.15 -0.33 0.00 0.00 0.00 178.15 178.15 2a59 h GLU 33 N 0.19 -0.20 -0.95 2.37 5.08 -1.51 -1.37 114.58 118.19 2a59 h GLU 33 Ca 0.04 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2a59 h GLU 33 Cb 0.72 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 2a59 h GLU 33 CO 0.05 -0.13 0.61 -1.35 -1.00 0.00 0.00 179.01 177.18 2a59 h PRO 34 N -0.21 0.94 -0.05 2.33 0.11 -1.78 -0.89 132.00 132.46 2a59 h PRO 34 Ca 0.08 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 2a59 h PRO 34 Cb 0.32 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 2a59 h PRO 34 CO -0.21 0.62 0.02 -0.07 -0.21 0.00 0.00 178.00 178.15 2a59 h LEU 35 N 0.97 0.06 0.02 2.35 3.38 -1.36 0.33 115.31 121.05 2a59 h LEU 35 Ca 0.44 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2a59 h LEU 35 Cb 0.40 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2a59 h LEU 35 CO -0.20 0.12 -0.03 0.58 0.09 0.00 0.00 178.44 179.00 2a59 h VAL 36 N -0.01 0.93 -0.19 1.22 2.07 -0.76 -1.17 116.25 118.34 2a59 h VAL 36 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 2a59 h VAL 36 Cb 0.08 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2a59 h VAL 36 CO -0.00 0.00 -0.39 0.11 0.02 0.00 0.00 177.57 177.30 2a59 h LYS 37 N -0.06 -0.41 -0.69 1.57 6.56 -1.02 0.75 116.57 123.27 2a59 h LYS 37 Ca 0.01 0.03 0.12 0.00 -1.06 0.00 0.00 60.65 59.74 2a59 h LYS 37 Cb 0.06 0.09 -0.08 0.00 -0.57 0.00 0.00 32.23 31.74 2a59 h LYS 37 CO -0.02 -0.28 0.28 0.78 -2.06 0.00 0.00 179.45 178.16 2a59 h GLY 38 N -0.43 1.02 0.92 3.86 0.00 -0.73 0.19 103.07 107.90 2a59 h GLY 38 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2a59 h GLY 38 CO -0.43 -0.04 -0.21 0.00 0.00 0.00 0.00 176.54 175.86 2a59 h ALA 39 N 1.48 -0.60 0.40 3.60 0.00 -0.37 -1.87 119.26 121.90 2a59 h ALA 39 Ca 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2a59 h ALA 39 Cb 0.49 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2a59 h ALA 39 CO -0.35 -0.79 -0.31 0.28 0.00 0.00 0.00 179.25 178.09 2a59 h VAL 40 N -0.69 0.37 -0.49 0.00 2.07 -0.32 -2.20 116.25 114.99 2a59 h VAL 40 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 2a59 h VAL 40 Cb 0.50 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2a59 h VAL 40 CO 0.10 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 177.43 2a59 h GLU 41 N -0.70 0.20 -0.38 1.57 5.08 -0.68 -1.27 114.58 118.39 2a59 h GLU 41 Ca -0.04 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2a59 h GLU 41 Cb 0.60 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2a59 h GLU 41 CO 0.00 0.13 0.23 1.15 -1.00 0.00 0.00 179.01 179.52 2a59 h THR 42 N 0.20 1.06 -0.46 1.13 2.02 -1.24 0.24 112.91 115.87 2a59 h THR 42 Ca 0.24 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.29 2a59 h THR 42 Cb 0.34 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2a59 h THR 42 CO -0.34 0.09 0.26 0.24 0.37 0.00 0.00 175.52 176.14 2a59 h MET 43 N 0.48 0.50 0.55 6.66 2.86 -0.75 0.20 114.93 125.43 2a59 h MET 43 Ca 0.15 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2a59 h MET 43 Cb -0.01 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.54 2a59 h MET 43 CO -0.06 0.33 -0.26 0.82 1.06 0.00 0.00 176.91 178.80 2a59 h ILE 44 N 0.52 0.18 -0.39 -1.22 2.04 -0.96 -1.52 117.51 116.15 2a59 h ILE 44 Ca 0.19 -0.45 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 2a59 h ILE 44 Cb 0.04 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2a59 h ILE 44 CO -0.10 0.03 -0.23 -0.33 0.00 0.00 0.00 178.15 177.52 2a59 h GLU 45 N -1.11 0.84 0.00 2.37 5.08 -0.53 -2.44 114.58 118.79 2a59 h GLU 45 Ca -0.07 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2a59 h GLU 45 Cb 0.61 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2a59 h GLU 45 CO 0.12 1.02 -1.53 1.63 -1.00 0.00 0.00 179.01 179.26 2a59 n LYS 46 N -4.21 0.63 0.00 2.33 4.76 0.70 -4.54 118.16 117.83 2a59 n LYS 46 Ca -0.02 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2a59 n LYS 46 Cb 0.45 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 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 -2.46 0.00 -2.89 2.13 8.25 -0.64 -4.79 115.22 114.81 2a59 n HIS 47 Ca -0.02 -0.30 -0.22 0.00 -0.26 0.00 0.00 57.72 56.91 2a59 n HIS 47 Cb 0.56 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.30 -6.12 -4.78 0.41 10.43 -0.92 -0.83 116.55 114.43 2a59 n ASP 48 Ca 0.00 -0.23 -0.37 0.00 2.57 0.00 0.00 54.79 56.75 2a59 n ASP 48 Cb 0.24 -4.98 -0.06 0.00 1.84 0.00 0.00 41.12 38.16 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 -3.16 4.27 -0.12 2.53 1.01 -0.78 -3.53 120.40 120.62 2a59 s VAL 49 Ca 0.24 1.75 -0.21 0.00 0.00 0.00 0.00 61.98 63.76 2a59 s VAL 49 Cb -0.11 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2a59 s VAL 49 CO 0.30 0.24 0.59 -0.54 0.00 0.00 0.00 175.10 175.68 2a59 s LYS 50 N -1.84 4.34 0.32 2.72 1.02 -1.26 -4.25 119.74 120.79 2a59 s LYS 50 Ca 0.46 0.63 0.09 0.00 0.02 0.00 0.00 55.97 57.17 2a59 s LYS 50 Cb -0.20 -3.48 0.91 0.00 -0.52 0.00 0.00 37.83 34.55 2a59 s LYS 50 CO 0.25 0.03 1.67 1.25 -0.92 0.00 0.00 175.35 177.62 2a59 h LEU 51 N 7.11 0.35 -2.00 3.17 6.46 -1.95 0.70 115.31 129.15 2a59 h LEU 51 Ca -0.39 0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 2a59 h LEU 51 Cb 1.18 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.27 2a59 h LEU 51 CO 0.76 -0.11 -0.09 -0.33 -0.62 0.00 0.00 178.44 178.06 2a59 h GLU 52 N 0.32 0.00 -0.44 1.25 3.07 -2.00 -2.63 114.58 114.15 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 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 2a59 h GLU 52 CO -0.60 0.09 0.00 0.09 -1.40 0.00 0.00 179.01 177.18 2a59 n ASN 53 N -3.49 2.30 -4.14 1.42 5.03 0.24 -4.78 115.26 111.84 2a59 n ASN 53 Ca -0.02 -2.04 -0.34 0.00 0.87 0.00 0.00 54.58 53.06 2a59 n ASN 53 Cb 0.22 -0.30 -0.15 0.00 -1.02 0.00 0.00 39.78 38.54 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 2.56 -0.04 2.41 1.01 -0.99 -1.58 121.20 123.08 2a59 s ILE 54 Ca 0.28 -1.28 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 2a59 s ILE 54 Cb 0.15 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2a59 s ILE 54 CO 0.18 0.11 0.29 -1.81 0.00 0.00 0.00 174.94 173.71 2a59 s ASP 55 N 1.23 6.61 -0.24 3.58 1.01 -0.45 -5.00 116.67 123.42 2a59 s ASP 55 Ca -0.03 0.73 0.00 0.00 0.71 0.00 0.00 52.55 53.96 2a59 s ASP 55 Cb -0.18 -2.16 0.06 0.00 1.01 0.00 0.00 42.92 41.65 2a59 s ASP 55 CO -0.05 0.34 -0.04 -0.63 0.21 0.00 0.00 175.17 175.00 2a59 s ILE 56 N -1.11 1.42 0.39 0.77 1.01 -1.26 -0.73 121.20 121.69 2a59 s ILE 56 Ca 0.22 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 59.75 2a59 s ILE 56 Cb -0.14 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 2a59 s ILE 56 CO 0.11 -0.15 0.35 -1.61 0.00 0.00 0.00 174.94 173.63 2a59 s GLU 57 N 1.44 2.58 0.08 2.79 0.41 0.02 -5.00 118.70 121.02 2a59 s GLU 57 Ca -0.04 -1.47 -0.06 0.00 -0.41 0.00 0.00 54.97 53.00 2a59 s GLU 57 Cb -0.19 -2.40 -0.02 0.00 -1.78 0.00 0.00 34.13 29.75 2a59 s GLU 57 CO -0.07 -0.10 0.11 -1.54 -0.49 0.00 0.00 175.26 173.17 2a59 s SER 58 N -4.08 0.26 0.10 -0.19 1.04 -1.26 -2.38 113.70 107.19 2a59 s SER 58 Ca 0.46 -0.82 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 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 0.27 -0.69 0.01 0.68 0.98 0.00 0.00 173.24 174.49 2a59 s VAL 59 N -3.90 0.19 0.03 5.02 -7.23 -0.19 -4.90 120.40 109.42 2a59 s VAL 59 Ca 0.08 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 2a59 s VAL 59 Cb 0.06 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 35.12 2a59 s VAL 59 CO -0.09 -0.70 1.19 -0.65 -0.31 0.00 0.00 175.10 174.54 2a59 h PRO 60 N 2.98 -0.33 -5.03 4.82 0.11 -1.94 -1.85 132.00 130.76 2a59 h PRO 60 Ca -0.35 0.02 -0.49 0.00 0.11 0.00 0.00 66.00 65.29 2a59 h PRO 60 Cb 1.17 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 2a59 h PRO 60 CO 0.62 -0.22 -0.55 0.20 -0.21 0.00 0.00 178.00 177.84 2a59 s GLY 61 N -1.39 2.30 0.52 -0.55 0.00 -1.26 -0.84 107.32 106.11 2a59 s GLY 61 Ca -0.06 -1.59 0.25 0.00 0.00 0.00 0.00 44.72 43.32 2a59 s GLY 61 CO 0.21 -1.75 1.96 1.76 0.00 0.00 0.00 173.10 175.28 2a59 h SER 62 N 2.00 0.05 -0.49 1.64 0.02 -1.92 -0.89 113.55 113.96 2a59 h SER 62 Ca -0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2a59 h SER 62 Cb 1.26 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 2a59 h SER 62 CO 0.59 0.02 0.31 -0.25 -1.14 0.00 0.00 176.83 176.36 2a59 h TRP 63 N 0.05 0.65 0.00 3.45 2.91 -1.96 -1.91 115.95 119.14 2a59 h TRP 63 Ca 0.30 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.33 2a59 h TRP 63 Cb 1.14 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.57 2a59 h TRP 63 CO -0.00 0.43 0.00 0.39 -1.03 0.00 0.00 178.44 178.23 2a59 n GLU 64 N -4.44 0.11 0.03 2.65 4.71 -0.34 -4.25 120.64 119.12 2a59 n GLU 64 Ca 0.04 0.11 -0.15 0.00 -0.01 0.00 0.00 57.16 57.15 2a59 n GLU 64 Cb 0.07 -1.64 -0.10 0.00 -1.01 0.00 0.00 31.44 28.77 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 -1.66 -0.62 -4.62 5.85 -1.37 0.43 115.31 113.33 2a59 h LEU 65 Ca 0.00 0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2a59 h LEU 65 Cb 0.58 0.64 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2a59 h LEU 65 CO 0.00 -0.50 0.32 -0.65 -0.34 0.00 0.00 178.44 177.27 2a59 h PRO 66 N -0.63 0.57 -0.57 5.25 0.11 -1.77 -0.23 132.00 134.73 2a59 h PRO 66 Ca 0.02 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 2a59 h PRO 66 Cb 0.70 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 2a59 h PRO 66 CO -0.39 0.38 0.08 1.96 -0.21 0.00 0.00 178.00 179.82 2a59 h GLN 67 N 0.59 0.95 -0.16 1.05 4.20 -1.71 -0.65 115.11 119.39 2a59 h GLN 67 Ca 0.28 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2a59 h GLN 67 Cb 0.21 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2a59 h GLN 67 CO -0.20 0.91 0.08 0.78 -0.67 0.00 0.00 178.83 179.73 2a59 h GLY 68 N 0.85 0.25 0.93 3.46 0.00 0.35 -1.84 103.07 107.06 2a59 h GLY 68 Ca 0.17 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.39 2a59 h GLY 68 CO 0.01 0.12 0.35 -2.22 0.00 0.00 0.00 176.54 174.80 2a59 h ILE 69 N 0.13 1.09 -0.51 2.60 2.04 -0.89 -2.16 117.51 119.80 2a59 h ILE 69 Ca 0.06 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2a59 h ILE 69 Cb 0.13 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2a59 h ILE 69 CO -0.01 0.13 0.30 -0.09 0.00 0.00 0.00 178.15 178.48 2a59 h ARG 70 N 0.70 0.70 0.02 2.37 2.43 -0.95 0.35 114.38 120.00 2a59 h ARG 70 Ca 0.22 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2a59 h ARG 70 Cb -0.02 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2a59 h ARG 70 CO -0.08 0.52 -0.03 0.00 -1.51 0.00 0.00 179.97 178.88 2a59 h ALA 71 N 1.14 -0.04 -0.65 2.80 0.00 -1.13 -2.51 119.26 118.86 2a59 h ALA 71 Ca 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2a59 h ALA 71 Cb 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2a59 h ALA 71 CO -0.03 -0.53 0.34 0.77 0.00 0.00 0.00 179.25 179.80 2a59 h SER 72 N -0.06 0.82 -0.36 0.00 0.02 -1.14 -2.30 113.55 110.53 2a59 h SER 72 Ca 0.01 -0.11 0.10 0.00 -0.84 0.00 0.00 61.79 60.95 2a59 h SER 72 Cb 0.07 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2a59 h SER 72 CO -0.02 0.70 0.27 0.40 -1.14 0.00 0.00 176.83 177.03 2a59 h ILE 73 N 0.89 0.78 0.21 3.27 1.08 -0.73 -1.05 117.51 121.96 2a59 h ILE 73 Ca 0.23 0.00 -0.32 0.00 -0.39 0.00 0.00 64.86 64.38 2a59 h ILE 73 Cb 0.07 0.81 0.03 0.00 -3.07 0.00 0.00 36.82 34.66 2a59 h ILE 73 CO -0.03 0.00 -1.40 0.00 -0.69 0.00 0.00 178.15 176.02 2a59 h ALA 74 N 1.80 -0.08 0.12 1.87 0.00 -0.99 -3.39 119.26 118.59 2a59 h ALA 74 Ca 0.17 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2a59 h ALA 74 Cb 0.71 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2a59 h ALA 74 CO -0.00 0.77 -0.06 0.00 0.00 0.00 0.00 179.25 179.96 2a59 h ARG 75 N 0.13 -0.15 0.00 0.00 2.47 -0.71 -3.47 114.38 112.65 2a59 h ARG 75 Ca -0.22 0.01 -0.22 0.00 -1.26 0.00 0.00 59.98 58.29 2a59 h ARG 75 Cb 2.10 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 30.44 2a59 h ARG 75 CO 0.26 -0.10 -0.10 0.09 0.56 0.00 0.00 179.97 180.67 2a59 n ASN 76 N -2.49 1.63 -4.30 7.04 3.02 -0.74 -5.12 115.26 114.30 2a59 n ASN 76 Ca -0.02 -1.73 -0.33 0.00 -0.03 0.00 0.00 54.58 52.47 2a59 n ASN 76 Cb 0.06 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.02 2.71 0.11 3.41 2.01 -1.26 -4.62 115.64 116.98 2a59 s THR 77 Ca 0.13 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.40 2a59 s THR 77 Cb -0.01 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2a59 s THR 77 CO 0.08 0.53 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.11 2a59 s TYR 78 N 0.53 1.21 -0.12 4.92 2.02 -1.26 -4.91 117.35 119.75 2a59 s TYR 78 Ca -0.10 -0.59 0.16 0.00 -0.37 0.00 0.00 57.07 56.17 2a59 s TYR 78 Cb -0.16 -0.65 -0.13 0.00 -0.40 0.00 0.00 41.96 40.62 2a59 s TYR 78 CO 0.04 0.07 0.84 -0.44 -1.57 0.00 0.00 175.55 174.49 2a59 h ASP 79 N 3.61 0.00 -4.83 2.29 5.19 -0.92 -3.48 116.42 118.28 2a59 h ASP 79 Ca -0.39 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.02 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 0.60 0.28 0.00 -3.12 0.00 0.00 179.24 177.51 2a59 s ALA 80 N -2.91 -1.75 0.03 3.45 0.00 -1.23 -4.22 121.76 115.14 2a59 s ALA 80 Ca -0.03 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.02 2a59 s ALA 80 Cb 0.09 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 2a59 s ALA 80 CO 0.81 -0.53 -0.09 0.54 0.00 0.00 0.00 175.76 176.50 2a59 s VAL 81 N -2.22 0.65 -0.14 0.00 0.11 -0.33 -1.50 120.40 116.97 2a59 s VAL 81 Ca -0.04 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.15 2a59 s VAL 81 Cb -0.00 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2a59 s VAL 81 CO -0.01 -0.19 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.74 2a59 s ILE 82 N -0.98 2.19 -0.27 7.04 1.01 -0.05 -0.23 121.20 129.91 2a59 s ILE 82 Ca -0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 2a59 s ILE 82 Cb -0.08 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 2a59 s ILE 82 CO 0.01 0.54 0.22 -0.83 0.00 0.00 0.00 174.94 174.88 2a59 s GLY 83 N 0.77 1.93 -0.10 6.18 0.00 -0.47 -1.75 107.32 113.89 2a59 s GLY 83 Ca -0.08 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.67 2a59 s GLY 83 CO -0.01 0.67 -0.21 -0.42 0.00 0.00 0.00 173.10 173.14 2a59 s ILE 84 N 1.70 1.84 0.17 0.90 1.01 -0.13 0.42 121.20 127.10 2a59 s ILE 84 Ca 0.09 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.63 2a59 s ILE 84 Cb -0.16 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.76 2a59 s ILE 84 CO 0.10 0.51 0.63 -0.83 0.00 0.00 0.00 174.94 175.35 2a59 s GLY 85 N 0.57 -0.53 -0.14 6.18 0.00 -0.59 -1.28 107.32 111.54 2a59 s GLY 85 Ca -0.14 0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.94 2a59 s GLY 85 CO 0.05 0.12 -0.01 0.14 0.00 0.00 0.00 173.10 173.40 2a59 s VAL 86 N -3.75 0.69 -0.19 1.40 1.01 -1.26 -1.24 120.40 117.06 2a59 s VAL 86 Ca 0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 2a59 s VAL 86 Cb -0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2a59 s VAL 86 CO -0.10 0.07 -0.01 -0.76 0.00 0.00 0.00 175.10 174.31 2a59 s LEU 87 N 1.81 3.30 -0.10 3.92 1.43 0.55 -4.80 118.68 124.81 2a59 s LEU 87 Ca 0.02 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2a59 s LEU 87 Cb -0.15 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 2a59 s LEU 87 CO -0.07 0.10 -0.16 -0.63 0.23 0.00 0.00 176.35 175.82 2a59 s ILE 88 N 0.76 2.83 0.19 -0.59 1.01 -1.26 -1.44 121.20 122.70 2a59 s ILE 88 Ca -0.00 -0.77 -0.33 0.00 0.00 0.00 0.00 60.65 59.56 2a59 s ILE 88 Cb -0.14 -2.14 -0.14 0.00 0.01 0.00 0.00 42.46 40.05 2a59 s ILE 88 CO 0.02 0.55 1.51 1.17 0.00 0.00 0.00 174.94 178.19 2a59 n LYS 89 N 3.12 2.09 0.00 2.79 0.00 -0.61 -4.85 118.16 120.70 2a59 n LYS 89 Ca -0.18 0.75 0.00 0.00 0.00 0.00 0.00 58.31 58.88 2a59 n LYS 89 Cb 0.52 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 33.08 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 2.87 3.76 0.04 3.14 0.00 -1.26 -4.83 105.19 108.91 2a59 n GLY 90 Ca 0.15 -1.80 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 0.59 -2.89 1.61 7.64 -1.26 -4.95 113.62 114.36 2a59 n SER 91 Ca 0.00 -0.12 -0.08 0.00 1.01 0.00 0.00 58.87 59.68 2a59 n SER 91 Cb 0.00 0.86 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 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 -2.08 0.00 1.53 0.44 -2.24 -1.26 -5.01 114.28 105.65 2a59 n THR 92 Ca 0.01 -0.67 0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2a59 n THR 92 Cb 0.46 -0.44 0.54 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.98 1.53 -0.22 -0.78 0.00 -1.26 -4.30 117.12 111.11 2a59 n MET 93 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 57.70 56.91 2a59 n MET 93 Cb 0.19 -1.44 0.06 0.00 0.00 0.00 0.00 33.22 32.04 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 1.76 -0.39 -0.28 2.03 -0.00 -1.97 -1.87 115.15 114.43 2a59 h HIS 94 Ca 0.00 0.06 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 2a59 h HIS 94 Cb 0.38 0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 28.02 2a59 h HIS 94 CO 0.03 -0.29 -0.02 0.35 -0.00 0.00 0.00 177.93 178.01 2a59 h PHE 95 N -0.02 -0.05 -0.16 5.26 3.57 -1.89 -1.33 116.94 122.33 2a59 h PHE 95 Ca 0.31 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.84 2a59 h PHE 95 Cb 0.48 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2a59 h PHE 95 CO -0.54 -0.07 0.04 0.93 -2.23 0.00 0.00 178.31 176.45 2a59 h GLU 96 N 0.06 0.11 -0.35 1.11 3.07 -1.66 -1.11 114.58 115.81 2a59 h GLU 96 Ca 0.13 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.84 2a59 h GLU 96 Cb 0.19 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2a59 h GLU 96 CO -0.24 0.07 -0.35 1.88 -1.40 0.00 0.00 179.01 178.97 2a59 h TYR 97 N 0.11 1.02 -0.41 4.33 0.05 -1.31 -2.24 116.97 118.52 2a59 h TYR 97 Ca 0.07 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.51 2a59 h TYR 97 Cb 0.05 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 2a59 h TYR 97 CO -0.12 1.10 0.13 0.82 -1.05 0.00 0.00 178.16 179.05 2a59 h ILE 98 N 0.64 1.22 0.07 -2.88 2.04 -1.22 -1.89 117.51 115.49 2a59 h ILE 98 Ca 0.05 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.23 2a59 h ILE 98 Cb 0.93 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2a59 h ILE 98 CO 0.09 0.25 -0.18 0.28 0.00 0.00 0.00 178.15 178.59 2a59 h SER 99 N 0.53 -0.51 -0.44 1.72 0.02 -1.13 0.54 113.55 114.26 2a59 h SER 99 Ca 0.13 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2a59 h SER 99 Cb 0.25 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 2a59 h SER 99 CO -0.01 -0.25 0.23 -0.08 -1.14 0.00 0.00 176.83 175.58 2a59 h GLU 100 N -0.33 0.44 -0.65 3.45 4.81 -1.38 -1.61 114.58 119.32 2a59 h GLU 100 Ca 0.04 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2a59 h GLU 100 Cb 0.37 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2a59 h GLU 100 CO -0.12 0.29 0.09 0.00 -0.73 0.00 0.00 179.01 178.54 2a59 h ALA 101 N 1.23 0.94 -0.32 2.92 0.00 -0.93 -2.28 119.26 120.81 2a59 h ALA 101 Ca 0.19 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2a59 h ALA 101 Cb 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2a59 h ALA 101 CO -0.12 0.66 -0.38 0.28 0.00 0.00 0.00 179.25 179.68 2a59 h VAL 102 N 1.00 1.29 -0.47 0.00 2.07 -0.66 -0.43 116.25 119.05 2a59 h VAL 102 Ca 0.20 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 2a59 h VAL 102 Cb 0.45 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2a59 h VAL 102 CO 0.01 0.51 0.19 0.58 0.02 0.00 0.00 177.57 178.88 2a59 h VAL 103 N 0.61 1.21 -0.51 2.57 2.07 -1.25 -0.22 116.25 120.73 2a59 h VAL 103 Ca 0.04 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 2a59 h VAL 103 Cb 0.98 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2a59 h VAL 103 CO 0.09 0.24 -0.05 0.45 0.02 0.00 0.00 177.57 178.32 2a59 h HIS 104 N 0.63 0.99 -0.36 1.57 -0.00 -1.36 -2.46 115.15 114.15 2a59 h HIS 104 Ca 0.16 -0.17 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2a59 h HIS 104 Cb 0.20 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 2a59 h HIS 104 CO 0.00 0.92 0.22 0.78 -0.00 0.00 0.00 177.93 179.85 2a59 h GLY 105 N 0.98 0.52 1.00 2.45 0.00 -0.56 -0.06 103.07 107.39 2a59 h GLY 105 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2a59 h GLY 105 CO 0.03 0.21 0.28 1.41 0.00 0.00 0.00 176.54 178.47 2a59 h LEU 106 N 0.47 0.84 -0.48 3.11 3.38 -0.95 -0.55 115.31 121.13 2a59 h LEU 106 Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2a59 h LEU 106 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2a59 h LEU 106 CO -0.02 0.75 0.26 -0.03 0.09 0.00 0.00 178.44 179.49 2a59 h MET 107 N 0.87 0.67 -0.12 1.13 4.05 -1.14 -2.24 114.93 118.15 2a59 h MET 107 Ca 0.21 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2a59 h MET 107 Cb 0.16 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 2a59 h MET 107 CO -0.02 0.53 0.07 -0.09 0.23 0.00 0.00 176.91 177.62 2a59 h ARG 108 N 0.64 0.14 -0.82 0.39 2.43 -0.52 -1.10 114.38 115.53 2a59 h ARG 108 Ca 0.17 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 2a59 h ARG 108 Cb 0.05 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.50 2a59 h ARG 108 CO -0.03 0.09 0.49 0.28 -1.51 0.00 0.00 179.97 179.29 2a59 h VAL 109 N 0.14 0.96 -0.30 0.20 2.07 -0.94 0.40 116.25 118.79 2a59 h VAL 109 Ca 0.04 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 2a59 h VAL 109 Cb -0.01 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 2a59 h VAL 109 CO -0.02 0.15 -0.10 1.23 0.02 0.00 0.00 177.57 178.86 2a59 h GLY 110 N 0.85 0.64 1.50 2.17 0.00 -1.13 -1.61 103.07 105.48 2a59 h GLY 110 Ca 0.38 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 2a59 h GLY 110 CO -0.21 0.50 -0.39 1.41 0.00 0.00 0.00 176.54 177.84 2a59 h LEU 111 N 0.35 0.59 -0.23 3.11 3.38 -0.64 0.61 115.31 122.48 2a59 h LEU 111 Ca 0.07 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2a59 h LEU 111 Cb 0.60 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2a59 h LEU 111 CO 0.03 0.92 -0.05 0.44 0.09 0.00 0.00 178.44 179.88 2a59 h ASP 112 N 0.46 0.44 1.12 -0.43 3.32 -0.20 -3.31 116.42 117.82 2a59 h ASP 112 Ca 0.04 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.59 2a59 h ASP 112 Cb 0.89 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2a59 h ASP 112 CO 0.08 0.70 -0.93 0.77 -1.72 0.00 0.00 179.24 178.14 2a59 h SER 113 N 0.18 0.00 0.00 6.45 4.64 -1.26 -3.48 113.55 120.08 2a59 h SER 113 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2a59 h SER 113 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2a59 h SER 113 CO 0.02 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 2a59 n GLY 114 N 1.31 0.84 3.69 -0.77 0.00 0.20 -5.02 105.19 105.44 2a59 n GLY 114 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.29 5.27 0.12 1.61 1.01 -1.20 -5.03 120.40 118.88 2a59 s VAL 115 Ca 0.00 0.56 -0.32 0.00 0.00 0.00 0.00 61.98 62.21 2a59 s VAL 115 Cb 0.00 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.61 2a59 s VAL 115 CO 0.00 0.32 1.77 -2.65 0.00 0.00 0.00 175.10 174.54 2a59 n PRO 116 N 4.11 2.57 -4.00 2.72 -0.02 -1.26 -4.45 135.00 134.66 2a59 n PRO 116 Ca -0.11 0.93 -0.34 0.00 -2.02 0.00 0.00 63.50 61.97 2a59 n PRO 116 Cb 0.52 -2.79 -0.15 0.00 -0.02 0.00 0.00 33.50 31.06 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 2.24 2.68 -0.00 -1.45 1.01 -1.26 -1.19 120.40 122.43 2a59 s VAL 117 Ca 0.81 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 2a59 s VAL 117 Cb -0.56 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2a59 s VAL 117 CO 0.38 0.26 0.63 -0.63 0.00 0.00 0.00 175.10 175.75 2a59 s ILE 118 N 1.31 4.89 -0.61 2.22 1.09 0.68 -4.98 121.20 125.80 2a59 s ILE 118 Ca 0.01 1.32 -0.25 0.00 -1.10 0.00 0.00 60.65 60.63 2a59 s ILE 118 Cb -0.16 -3.97 0.05 0.00 -1.06 0.00 0.00 42.46 37.32 2a59 s ILE 118 CO -0.06 0.40 1.02 -0.22 -0.10 0.00 0.00 174.94 175.98 2a59 s LEU 119 N -0.10 3.98 -0.47 2.97 2.96 -1.26 -1.36 118.68 125.40 2a59 s LEU 119 Ca 0.33 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2a59 s LEU 119 Cb -0.19 -2.71 0.44 0.00 0.50 0.00 0.00 46.19 44.23 2a59 s LEU 119 CO 0.18 -1.40 1.49 0.61 -1.32 0.00 0.00 176.35 175.91 2a59 n GLY 120 N 5.21 6.12 3.70 7.98 0.00 0.17 -4.96 105.19 123.41 2a59 n GLY 120 Ca 0.01 -2.57 -0.36 0.00 0.00 0.00 0.00 46.02 43.10 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 4.18 -0.17 0.99 0.20 -1.24 -1.54 118.68 117.40 2a59 s LEU 121 Ca 0.54 0.21 -0.04 0.00 0.69 0.00 0.00 54.13 55.53 2a59 s LEU 121 Cb 0.44 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 2a59 s LEU 121 CO -0.05 0.13 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.36 2a59 s LEU 122 N 0.63 3.25 -0.46 -0.68 1.43 -0.38 -4.96 118.68 117.52 2a59 s LEU 122 Ca 0.08 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2a59 s LEU 122 Cb -0.12 -1.80 0.12 0.00 0.03 0.00 0.00 46.19 44.42 2a59 s LEU 122 CO 0.01 0.13 0.20 0.42 0.23 0.00 0.00 176.35 177.34 2a59 s THR 123 N 0.62 2.30 0.33 5.49 -4.23 -1.26 -0.33 115.64 118.57 2a59 s THR 123 Ca -0.02 -2.93 0.09 0.00 -1.18 0.00 0.00 61.69 57.65 2a59 s THR 123 Cb -0.14 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 2a59 s THR 123 CO 0.02 -0.76 0.05 0.68 -0.54 0.00 0.00 174.62 174.07 2a59 s VAL 124 N 0.13 2.81 -0.15 2.29 -7.23 -0.52 -5.02 120.40 112.71 2a59 s VAL 124 Ca 0.15 -1.89 0.15 0.00 -1.81 0.00 0.00 61.98 58.58 2a59 s VAL 124 Cb -0.24 -2.85 0.04 0.00 0.56 0.00 0.00 36.38 33.90 2a59 s VAL 124 CO -0.03 -0.21 1.40 -0.07 -0.31 0.00 0.00 175.10 175.88 2a59 h LEU 125 N 1.74 0.00 -7.84 1.32 -0.00 -1.94 -1.63 115.31 106.98 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 0.65 0.52 0.26 0.54 -0.00 0.00 0.00 178.44 180.42 2a59 s ASN 126 N -6.42 -0.28 0.19 -0.43 2.20 -1.26 -4.10 114.94 104.83 2a59 s ASN 126 Ca 0.03 -0.51 -0.14 0.00 -0.94 0.00 0.00 52.86 51.30 2a59 s ASN 126 Cb 0.08 0.68 0.19 0.00 -2.00 0.00 0.00 41.25 40.19 2a59 s ASN 126 CO 0.75 -1.24 1.66 -0.33 -2.94 0.00 0.00 177.10 175.00 2a59 h GLU 127 N 2.00 0.03 -0.64 3.55 4.39 -1.96 -2.63 114.58 119.32 2a59 h GLU 127 Ca -0.21 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.62 2a59 h GLU 127 Cb 1.25 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.79 2a59 h GLU 127 CO 0.25 0.02 -0.00 0.93 -1.16 0.00 0.00 179.01 179.05 2a59 h GLU 128 N 0.04 0.11 -0.79 2.33 3.07 -1.99 0.71 114.58 118.05 2a59 h GLU 128 Ca 0.26 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.14 2a59 h GLU 128 Cb 0.40 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 2a59 h GLU 128 CO -0.51 0.07 0.52 1.96 -1.40 0.00 0.00 179.01 179.65 2a59 h GLN 129 N 0.11 0.97 0.41 2.33 4.20 -1.89 -0.10 115.11 121.13 2a59 h GLN 129 Ca 0.34 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 2a59 h GLN 129 Cb 0.55 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2a59 h GLN 129 CO -0.56 0.64 -0.19 0.00 -0.67 0.00 0.00 178.83 178.05 2a59 h ALA 130 N 1.53 -0.55 -0.84 3.87 0.00 -0.89 -2.51 119.26 119.88 2a59 h ALA 130 Ca 0.31 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.18 2a59 h ALA 130 Cb -0.00 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 2a59 h ALA 130 CO -0.08 -0.63 0.41 -0.07 0.00 0.00 0.00 179.25 178.88 2a59 h LEU 131 N -0.90 0.47 -0.79 0.00 4.07 -0.92 -0.66 115.31 116.58 2a59 h LEU 131 Ca -0.06 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2a59 h LEU 131 Cb 0.55 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.29 2a59 h LEU 131 CO 0.09 0.18 0.47 0.22 -1.08 0.00 0.00 178.44 178.32 2a59 h TYR 132 N 0.57 1.04 -0.00 1.13 3.20 -0.98 -0.86 116.97 121.08 2a59 h TYR 132 Ca 0.47 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.33 2a59 h TYR 132 Cb 0.70 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2a59 h TYR 132 CO -0.11 0.70 -0.00 0.54 -1.64 0.00 0.00 178.16 177.66 2a59 n ARG 133 N -4.47 0.75 -0.33 1.82 1.74 -0.35 -2.35 116.66 113.47 2a59 n ARG 133 Ca 0.08 -0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 2a59 n ARG 133 Cb 0.06 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.12 2.38 -0.43 7.54 0.00 -0.39 -1.57 120.51 126.92 2a59 n ALA 134 Ca 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.40 2a59 n ALA 134 Cb 0.17 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.60 0.86 3.94 0.00 0.00 -0.99 -4.53 105.19 106.06 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 2.90 -1.65 0.99 1.02 -0.85 -4.08 118.68 117.01 2a59 s LEU 136 Ca 0.00 0.35 -0.10 0.00 0.02 0.00 0.00 54.13 54.40 2a59 s LEU 136 Cb 0.00 -3.04 0.10 0.00 0.02 0.00 0.00 46.19 43.27 2a59 s LEU 136 CO 0.00 -1.52 0.36 0.59 0.02 0.00 0.00 176.35 175.80 2a59 n ASN 137 N -2.82 -0.71 0.00 2.29 5.03 -1.26 -0.51 115.26 117.28 2a59 n ASN 137 Ca 0.08 -1.19 0.00 0.00 0.87 0.00 0.00 54.58 54.34 2a59 n ASN 137 Cb 0.60 -1.99 0.00 0.00 -1.02 0.00 0.00 39.78 37.38 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 0.89 3.93 7.41 0.00 -1.26 -4.97 105.19 109.33 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 -1.82 1.70 -0.20 -0.02 0.00 0.34 -5.07 107.32 102.25 2a59 s GLY 139 Ca 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.60 2a59 s GLY 139 CO 0.00 -0.54 0.13 -1.58 0.00 0.00 0.00 173.10 171.11 2a59 s HIS 140 N -3.36 3.41 -0.23 1.90 5.65 -1.21 -4.22 115.29 117.24 2a59 s HIS 140 Ca 0.63 0.33 -0.29 0.00 0.25 0.00 0.00 55.06 55.98 2a59 s HIS 140 Cb -0.09 -2.17 -0.02 0.00 -1.18 0.00 0.00 32.58 29.13 2a59 s HIS 140 CO 0.46 0.28 1.44 1.21 -0.65 0.00 0.00 174.74 177.49 2a59 s ASN 141 N 0.38 6.60 0.42 9.88 3.84 -1.26 -3.53 114.94 131.27 2a59 s ASN 141 Ca 0.08 1.53 0.27 0.00 0.21 0.00 0.00 52.86 54.95 2a59 s ASN 141 Cb -0.11 -2.54 0.86 0.00 -0.55 0.00 0.00 41.25 38.91 2a59 s ASN 141 CO -0.02 -1.08 1.78 0.45 -2.79 0.00 0.00 177.10 175.44 2a59 h HIS 142 N 9.68 0.00 -0.35 0.43 3.86 -1.60 -3.06 115.15 124.11 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 -0.02 0.00 1.06 0.00 0.00 27.41 29.58 2a59 h HIS 142 CO 0.88 0.00 0.23 0.78 0.86 0.00 0.00 177.93 180.68 2a59 h GLY 143 N 3.16 0.48 0.75 2.45 0.00 -1.81 -1.98 103.07 106.11 2a59 h GLY 143 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2a59 h GLY 143 CO 0.00 0.17 -0.18 3.43 0.00 0.00 0.00 176.54 179.96 2a59 h ASN 144 N 0.45 -0.48 -0.96 0.19 -0.26 -1.66 0.04 115.58 112.90 2a59 h ASN 144 Ca 0.13 0.05 0.07 0.00 -0.56 0.00 0.00 56.30 56.00 2a59 h ASN 144 Cb -0.01 0.17 -0.07 0.00 -1.06 0.00 0.00 38.32 37.36 2a59 h ASN 144 CO -0.03 -0.26 0.61 0.44 -1.06 0.00 0.00 177.43 177.13 2a59 h ASP 145 N -0.37 0.96 -0.48 5.81 3.32 -1.56 -0.69 116.42 123.41 2a59 h ASP 145 Ca 0.01 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2a59 h ASP 145 Cb 0.36 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2a59 h ASP 145 CO -0.07 0.59 0.14 -0.50 -1.72 0.00 0.00 179.24 177.69 2a59 h TRP 146 N 1.08 0.84 -0.07 4.55 6.55 -0.82 -0.83 115.95 127.25 2a59 h TRP 146 Ca 0.42 -0.07 -0.00 0.00 0.95 0.00 0.00 58.89 60.19 2a59 h TRP 146 Cb 0.22 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.26 2a59 h TRP 146 CO -0.01 0.70 0.04 0.78 -1.05 0.00 0.00 178.44 178.90 2a59 h GLY 147 N 0.96 0.11 1.07 1.49 0.00 0.50 -0.29 103.07 106.91 2a59 h GLY 147 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2a59 h GLY 147 CO -0.00 0.04 0.39 1.76 0.00 0.00 0.00 176.54 178.73 2a59 h SER 148 N 0.05 1.09 -0.66 0.19 0.02 -1.02 -2.35 113.55 110.87 2a59 h SER 148 Ca 0.03 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2a59 h SER 148 Cb 0.05 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 2a59 h SER 148 CO -0.00 0.92 0.30 0.00 -1.14 0.00 0.00 176.83 176.90 2a59 h ALA 149 N 1.24 0.85 -0.02 3.77 0.00 -0.80 -0.87 119.26 123.43 2a59 h ALA 149 Ca 0.29 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2a59 h ALA 149 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2a59 h ALA 149 CO -0.04 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.61 2a59 h ALA 150 N 1.13 -0.01 -0.16 0.00 0.00 -0.78 -0.12 119.26 119.32 2a59 h ALA 150 Ca 0.22 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2a59 h ALA 150 Cb 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2a59 h ALA 150 CO -0.03 -0.52 0.01 0.28 0.00 0.00 0.00 179.25 178.99 2a59 h VAL 151 N -0.05 0.90 -0.16 0.00 2.07 -1.14 0.04 116.25 117.92 2a59 h VAL 151 Ca 0.02 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2a59 h VAL 151 Cb 0.08 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2a59 h VAL 151 CO -0.05 0.01 0.04 -0.08 0.02 0.00 0.00 177.57 177.51 2a59 h GLU 152 N 0.06 0.11 -0.19 1.57 4.81 -0.93 -1.92 114.58 118.09 2a59 h GLU 152 Ca 0.07 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2a59 h GLU 152 Cb 0.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2a59 h GLU 152 CO -0.12 0.07 -0.26 0.52 -0.73 0.00 0.00 179.01 178.49 2a59 h MET 153 N 0.11 0.37 -0.51 1.92 2.86 -0.83 -1.70 114.93 117.14 2a59 h MET 153 Ca 0.07 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2a59 h MET 153 Cb 0.06 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2a59 h MET 153 CO -0.09 0.61 0.20 0.78 1.06 0.00 0.00 176.91 179.47 2a59 h GLY 154 N 1.02 0.82 0.68 8.32 0.00 -0.64 -1.58 103.07 111.69 2a59 h GLY 154 Ca 0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2a59 h GLY 154 CO 0.05 0.42 -0.06 1.41 0.00 0.00 0.00 176.54 178.36 2a59 h LEU 155 N 0.69 -0.14 -2.65 3.11 3.38 -1.19 -2.73 115.31 115.78 2a59 h LEU 155 Ca 0.17 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2a59 h LEU 155 Cb 0.20 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2a59 h LEU 155 CO -0.01 0.20 0.11 0.11 0.09 0.00 0.00 178.44 178.93 2a59 h LYS 156 N -0.49 0.00 -0.01 1.13 1.57 -1.24 0.96 116.57 118.49 2a59 h LYS 156 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 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 0.03 0.00 -0.76 0.00 -0.57 0.00 0.00 179.45 178.14 2a59 h ALA 157 N 1.80 0.71 -0.02 3.86 0.00 -0.97 -3.51 119.26 121.13 2a59 h ALA 157 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2a59 h ALA 157 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2a59 h ALA 157 CO -0.00 0.89 0.00 1.28 0.00 0.00 0.00 179.25 181.42