#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f98 h GLU 3 N 0.00 0.00 0.05 -1.46 4.39 -2.03 -2.45 114.58 113.08 2f98 h GLU 3 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2f98 h GLU 3 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2f98 h GLU 3 CO 0.00 0.57 -0.02 1.96 -1.16 0.00 0.00 179.01 180.36 2f98 h GLN 4 N 0.00 -0.06 -0.72 2.33 4.20 -1.99 0.67 115.11 119.54 2f98 h GLN 4 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2f98 h GLN 4 Cb 1.02 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2f98 h GLN 4 CO 0.07 0.14 0.36 0.82 -0.67 0.00 0.00 178.83 179.55 2f98 h ILE 5 N -0.25 1.23 -0.55 2.54 2.04 -1.96 -0.73 117.51 119.83 2f98 h ILE 5 Ca -0.01 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.28 2f98 h ILE 5 Cb 0.22 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 2f98 h ILE 5 CO 0.01 0.26 0.29 0.00 0.00 0.00 0.00 178.15 178.72 2f98 h ALA 6 N 1.18 0.71 -0.79 1.87 0.00 -1.32 0.65 119.26 121.56 2f98 h ALA 6 Ca 0.25 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2f98 h ALA 6 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2f98 h ALA 6 CO -0.03 -0.04 0.43 0.00 0.00 0.00 0.00 179.25 179.61 2f98 h ALA 7 N 1.29 1.01 -0.31 0.00 0.00 -0.22 -1.64 119.26 119.39 2f98 h ALA 7 Ca 0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2f98 h ALA 7 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2f98 h ALA 7 CO -0.16 0.52 -0.30 0.28 0.00 0.00 0.00 179.25 179.60 2f98 h VAL 8 N 1.10 1.28 -0.50 0.00 2.07 -0.61 -1.79 116.25 117.79 2f98 h VAL 8 Ca 0.28 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 2f98 h VAL 8 Cb 0.03 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2f98 h VAL 8 CO -0.04 0.46 0.17 0.03 0.02 0.00 0.00 177.57 178.20 2f98 h ARG 9 N 0.56 0.74 -0.47 1.57 3.08 -0.52 -1.10 114.38 118.24 2f98 h ARG 9 Ca 0.07 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2f98 h ARG 9 Cb 0.79 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 2f98 h ARG 9 CO 0.06 0.63 0.11 0.00 -1.07 0.00 0.00 179.97 179.71 2f98 h ARG 10 N 0.73 0.76 -0.52 0.04 3.08 -0.98 -0.76 114.38 116.72 2f98 h ARG 10 Ca 0.17 -0.19 0.08 0.00 0.07 0.00 0.00 59.98 60.12 2f98 h ARG 10 Cb 0.19 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 2f98 h ARG 10 CO -0.01 0.75 0.15 1.98 -1.07 0.00 0.00 179.97 181.77 2f98 h MET 11 N 0.63 0.30 -0.30 0.04 4.05 -0.89 -0.16 114.93 118.60 2f98 h MET 11 Ca 0.15 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 2f98 h MET 11 Cb 0.34 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 2f98 h MET 11 CO 0.00 0.20 0.13 0.28 0.23 0.00 0.00 176.91 177.75 2f98 h VAL 12 N 0.31 1.17 -0.98 -5.77 2.07 -0.97 -2.50 116.25 109.59 2f98 h VAL 12 Ca 0.26 -0.51 0.15 0.00 0.82 0.00 0.00 66.70 67.42 2f98 h VAL 12 Cb 0.32 0.95 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 2f98 h VAL 12 CO -0.30 0.18 0.61 -0.33 0.02 0.00 0.00 177.57 177.76 2f98 h GLU 13 N 0.35 0.80 -0.92 1.57 5.08 -0.58 -2.02 114.58 118.86 2f98 h GLU 13 Ca 0.10 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2f98 h GLU 13 Cb 0.16 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 2f98 h GLU 13 CO -0.01 0.53 0.59 0.00 -1.00 0.00 0.00 179.01 179.12 2f98 h ALA 14 N 1.59 1.24 -0.61 3.43 0.00 -0.57 -0.45 119.26 123.88 2f98 h ALA 14 Ca 0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 2f98 h ALA 14 Cb 0.71 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2f98 h ALA 14 CO -0.29 0.42 0.16 1.88 0.00 0.00 0.00 179.25 181.43 2f98 h TYR 15 N 1.12 0.96 -0.15 0.00 -1.99 -1.33 0.99 116.97 116.59 2f98 h TYR 15 Ca 0.38 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.95 2f98 h TYR 15 Cb 0.06 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.51 2f98 h TYR 15 CO -0.01 0.79 -0.17 -0.91 -0.00 0.00 0.00 178.16 177.86 2f98 h ASN 16 N 0.90 0.40 0.93 3.88 2.35 -1.09 -3.32 115.58 119.62 2f98 h ASN 16 Ca 0.20 -0.49 -0.17 0.00 -0.55 0.00 0.00 56.30 55.28 2f98 h ASN 16 Cb 0.30 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 2f98 h ASN 16 CO -0.00 0.81 -1.15 0.71 -1.65 0.00 0.00 177.43 176.15 2f98 h THR 17 N -0.01 0.79 0.00 2.81 1.35 -1.14 -3.47 112.91 113.25 2f98 h THR 17 Ca 0.02 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 2f98 h THR 17 Cb 0.71 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2f98 h THR 17 CO 0.04 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2f98 n GLY 18 N 1.36 0.71 3.59 5.82 0.00 0.34 -5.01 105.19 111.99 2f98 n GLY 18 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2f98 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f98 s LYS 19 N -0.05 3.78 0.00 1.61 1.02 -1.21 -4.89 119.74 120.01 2f98 s LYS 19 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.26 2f98 s LYS 19 Cb 0.00 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2f98 s LYS 19 CO 0.00 -0.76 0.89 0.25 -0.92 0.00 0.00 175.35 174.81 2f98 n THR 20 N 5.64 0.79 -0.36 2.17 -2.24 -1.26 -4.67 114.28 114.35 2f98 n THR 20 Ca 0.01 -0.86 0.09 0.00 -2.27 0.00 0.00 64.05 61.02 2f98 n THR 20 Cb 0.48 0.62 0.26 0.00 -2.10 0.00 0.00 70.33 69.59 2f98 n THR 20 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2f98 h ASP 21 N 0.00 0.90 -0.53 3.42 3.45 -2.01 -3.01 116.42 118.63 2f98 h ASP 21 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.52 2f98 h ASP 21 Cb 0.45 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 2f98 h ASP 21 CO 0.00 0.44 0.00 -0.90 -1.57 0.00 0.00 179.24 177.21 2f98 n ASP 22 N -4.65 3.82 0.30 6.45 5.75 -1.26 -4.66 116.55 122.30 2f98 n ASP 22 Ca 0.20 -2.22 0.17 0.00 -0.01 0.00 0.00 54.79 52.93 2f98 n ASP 22 Cb 0.40 -0.43 0.97 0.00 -1.03 0.00 0.00 41.12 41.03 2f98 n ASP 22 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2f98 h VAL 23 N 3.20 0.36 0.00 2.12 -1.51 -1.87 0.08 116.25 118.63 2f98 h VAL 23 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2f98 h VAL 23 Cb 1.07 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2f98 h VAL 23 CO 0.09 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.44 2f98 h ALA 24 N 1.98 1.00 -0.23 5.19 0.00 -1.83 0.63 119.26 126.01 2f98 h ALA 24 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2f98 h ALA 24 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2f98 h ALA 24 CO 0.00 0.00 -0.01 -0.44 0.00 0.00 0.00 179.25 178.80 2f98 h ASP 25 N 0.00 0.31 0.00 0.00 3.45 -1.35 -3.37 116.42 115.46 2f98 h ASP 25 Ca 0.00 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.42 2f98 h ASP 25 Cb 0.08 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2f98 h ASP 25 CO 0.00 0.38 0.00 0.00 -1.57 0.00 0.00 179.24 178.05 2f98 n TYR 26 N -4.34 0.00 -3.62 4.55 0.18 -0.62 -4.95 117.16 108.36 2f98 n TYR 26 Ca 0.00 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.40 2f98 n TYR 26 Cb 0.20 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.05 2f98 n TYR 26 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2f98 s ILE 27 N -0.23 4.99 0.35 -3.48 -1.09 0.12 0.06 121.20 121.91 2f98 s ILE 27 Ca 0.00 -0.08 -0.29 0.00 -2.23 0.00 0.00 60.65 58.05 2f98 s ILE 27 Cb 0.00 -3.44 -0.11 0.00 -1.58 0.00 0.00 42.46 37.33 2f98 s ILE 27 CO 0.00 0.18 1.49 1.57 -1.23 0.00 0.00 174.94 176.95 2f98 n HIS 28 N 5.03 2.86 -0.36 3.97 -0.00 -0.12 -4.47 115.22 122.13 2f98 n HIS 28 Ca -0.14 0.41 0.26 0.00 0.46 0.00 0.00 57.72 58.71 2f98 n HIS 28 Cb 0.51 -2.53 0.53 0.00 -0.12 0.00 0.00 29.99 28.37 2f98 n HIS 28 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2f98 h PRO 29 N 3.41 0.29 -0.67 1.57 0.11 -1.93 0.18 132.00 134.96 2f98 h PRO 29 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2f98 h PRO 29 Cb 1.24 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2f98 h PRO 29 CO 0.68 0.19 0.03 0.39 -0.21 0.00 0.00 178.00 179.08 2f98 n GLU 30 N -4.80 4.11 -1.61 1.05 1.02 -1.26 -3.09 120.64 116.06 2f98 n GLU 30 Ca 0.31 -2.59 -0.50 0.00 -0.02 0.00 0.00 57.16 54.36 2f98 n GLU 30 Cb 1.05 -2.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 2f98 n GLU 30 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2f98 n TYR 31 N 0.44 1.66 -4.36 -0.32 9.36 0.64 -4.64 117.16 119.95 2f98 n TYR 31 Ca 0.24 0.56 -0.19 0.00 3.32 0.00 0.00 57.90 61.83 2f98 n TYR 31 Cb 1.05 -2.37 -0.15 0.00 -0.63 0.00 0.00 39.34 37.24 2f98 n TYR 31 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 2f98 s MET 32 N 0.37 0.83 -0.28 2.98 -2.45 -0.71 -0.98 119.30 119.06 2f98 s MET 32 Ca 0.80 -0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.96 2f98 s MET 32 Cb -0.87 -0.79 0.08 0.00 1.25 0.00 0.00 34.83 34.50 2f98 s MET 32 CO 0.46 0.15 -0.01 1.21 1.05 0.00 0.00 175.02 177.88 2f98 s ASN 33 N 0.01 4.20 0.47 1.11 3.84 -1.26 -1.38 114.94 121.93 2f98 s ASN 33 Ca -0.00 -1.54 0.32 0.00 0.21 0.00 0.00 52.86 51.85 2f98 s ASN 33 Cb -0.06 -1.30 1.48 0.00 -0.55 0.00 0.00 41.25 40.82 2f98 s ASN 33 CO 0.00 -0.30 1.95 1.55 -2.79 0.00 0.00 177.10 177.52 2f98 h PRO 34 N 7.86 0.00 0.00 0.43 0.13 -2.00 -2.76 132.00 135.66 2f98 h PRO 34 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2f98 h PRO 34 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2f98 h PRO 34 CO 0.46 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.01 2f98 h GLY 35 N 1.33 0.00 -1.52 1.56 0.00 -1.93 -2.92 103.07 99.59 2f98 h GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2f98 h GLY 35 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 2f98 n THR 36 N -2.71 1.15 0.11 4.70 -2.24 -1.04 -4.64 114.28 109.62 2f98 n THR 36 Ca -0.01 -1.09 0.14 0.00 -2.27 0.00 0.00 64.05 60.82 2f98 n THR 36 Cb 0.15 0.41 0.66 0.00 -2.10 0.00 0.00 70.33 69.45 2f98 n THR 36 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2f98 h LEU 37 N 2.31 0.02 -1.90 3.22 3.38 -1.68 0.62 115.31 121.28 2f98 h LEU 37 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2f98 h LEU 37 Cb 0.85 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2f98 h LEU 37 CO 0.03 0.01 -0.08 -0.08 0.09 0.00 0.00 178.44 178.41 2f98 h GLU 38 N 0.02 0.00 0.00 1.13 4.81 -1.84 -3.31 114.58 115.39 2f98 h GLU 38 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2f98 h GLU 38 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2f98 h GLU 38 CO -0.00 0.08 -1.47 1.19 -0.73 0.00 0.00 179.01 178.08 2f98 n PHE 39 N -4.33 0.00 -3.50 0.92 3.01 0.17 -5.05 117.46 108.69 2f98 n PHE 39 Ca -0.03 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.27 2f98 n PHE 39 Cb 0.16 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.33 2f98 n PHE 39 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2f98 s THR 40 N -2.79 0.00 -2.29 4.37 -1.32 -0.93 -5.03 115.64 107.65 2f98 s THR 40 Ca -0.04 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.64 2f98 s THR 40 Cb 0.08 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.35 2f98 s THR 40 CO 0.52 0.00 1.24 -1.54 -2.21 0.00 0.00 174.62 172.63 2f98 n SER 41 N 0.55 2.99 -4.72 8.08 3.41 -1.26 -4.42 113.62 118.25 2f98 n SER 41 Ca -0.18 -1.89 -0.32 0.00 -0.26 0.00 0.00 58.87 56.21 2f98 n SER 41 Cb 0.59 -0.13 0.11 0.00 -0.26 0.00 0.00 64.21 64.53 2f98 n SER 41 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2f98 s LEU 42 N -1.49 3.11 0.28 1.04 1.43 -1.26 -5.07 118.68 116.72 2f98 s LEU 42 Ca 0.29 2.16 0.03 0.00 -1.03 0.00 0.00 54.13 55.58 2f98 s LEU 42 Cb 0.18 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 2f98 s LEU 42 CO 0.26 -2.46 0.16 -0.13 0.23 0.00 0.00 176.35 174.41 2f98 s ARG 43 N -4.37 1.52 2.91 1.70 0.52 -1.26 -4.72 118.95 115.24 2f98 s ARG 43 Ca 0.68 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 2f98 s ARG 43 Cb -0.24 -0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.21 2f98 s ARG 43 CO 0.51 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.81 2f98 n GLY 44 N -0.52 0.51 0.41 -3.53 0.00 -0.15 -2.42 105.19 99.49 2f98 n GLY 44 Ca 0.02 -0.90 0.22 0.00 0.00 0.00 0.00 46.02 45.35 2f98 n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2f98 h PRO 45 N 0.00 0.23 -0.55 1.61 0.11 -1.78 -1.34 132.00 130.28 2f98 h PRO 45 Ca 0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 2f98 h PRO 45 Cb 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 2f98 h PRO 45 CO 0.00 0.15 -0.08 0.93 -0.21 0.00 0.00 178.00 178.79 2f98 h GLU 46 N 0.24 1.03 0.33 1.05 3.07 -1.95 -1.08 114.58 117.27 2f98 h GLU 46 Ca 0.42 -0.37 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 2f98 h GLU 46 Cb 1.27 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2f98 h GLU 46 CO -0.10 1.06 -0.16 1.25 -1.40 0.00 0.00 179.01 179.66 2f98 h LEU 47 N 0.91 -0.37 -0.95 1.33 5.85 -0.91 -1.98 115.31 119.19 2f98 h LEU 47 Ca 0.15 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.92 2f98 h LEU 47 Cb 0.65 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 2f98 h LEU 47 CO 0.04 -0.17 0.57 0.15 -0.34 0.00 0.00 178.44 178.70 2f98 h PHE 48 N -0.56 1.04 -0.35 1.25 3.57 -1.34 -1.81 116.94 118.73 2f98 h PHE 48 Ca -0.04 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 2f98 h PHE 48 Cb 0.41 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2f98 h PHE 48 CO -0.02 0.39 -0.27 0.00 -2.23 0.00 0.00 178.31 176.18 2f98 h ALA 49 N 1.53 0.51 -0.08 2.41 0.00 -1.12 -2.27 119.26 120.23 2f98 h ALA 49 Ca 0.47 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2f98 h ALA 49 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2f98 h ALA 49 CO -0.28 0.52 -0.30 0.97 0.00 0.00 0.00 179.25 180.17 2f98 h ILE 50 N 0.60 1.25 -0.43 0.00 2.10 -0.96 -2.09 117.51 117.97 2f98 h ILE 50 Ca 0.07 -1.17 -0.15 0.00 1.08 0.00 0.00 64.86 64.69 2f98 h ILE 50 Cb 0.84 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 38.08 2f98 h ILE 50 CO 0.07 0.35 -0.30 0.78 -1.08 0.00 0.00 178.15 177.97 2f98 h ASN 51 N 0.14 1.00 -0.47 2.19 -0.26 -1.20 -0.32 115.58 116.65 2f98 h ASN 51 Ca 0.02 -0.42 -0.02 0.00 -0.56 0.00 0.00 56.30 55.32 2f98 h ASN 51 Cb 0.60 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 2f98 h ASN 51 CO 0.04 1.21 0.22 0.58 -1.06 0.00 0.00 177.43 178.43 2f98 h VAL 52 N 0.80 1.19 -0.70 2.81 2.07 -1.31 -1.59 116.25 119.52 2f98 h VAL 52 Ca 0.08 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2f98 h VAL 52 Cb 0.89 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2f98 h VAL 52 CO 0.08 0.21 0.36 0.00 0.02 0.00 0.00 177.57 178.24 2f98 h ALA 53 N 1.06 0.90 -0.83 1.67 0.00 -1.25 -0.92 119.26 119.89 2f98 h ALA 53 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2f98 h ALA 53 Cb 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2f98 h ALA 53 CO -0.02 0.44 0.47 2.35 0.00 0.00 0.00 179.25 182.49 2f98 h TRP 54 N 0.97 1.13 -0.09 0.00 7.01 -0.91 0.05 115.95 124.11 2f98 h TRP 54 Ca 0.24 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 2f98 h TRP 54 Cb 0.08 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 26.78 2f98 h TRP 54 CO 0.00 0.77 0.02 0.28 -2.79 0.00 0.00 178.44 176.73 2f98 h VAL 55 N 1.16 1.19 -0.80 2.65 2.07 -0.62 -0.69 116.25 121.20 2f98 h VAL 55 Ca 0.30 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.28 2f98 h VAL 55 Cb 0.01 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2f98 h VAL 55 CO -0.05 0.16 0.53 0.11 0.02 0.00 0.00 177.57 178.34 2f98 h LYS 56 N -0.06 0.99 -0.24 1.57 1.79 -0.98 0.44 116.57 120.09 2f98 h LYS 56 Ca 0.03 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.30 2f98 h LYS 56 Cb 0.23 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2f98 h LYS 56 CO -0.00 0.66 -0.38 -0.22 -1.08 0.00 0.00 179.45 178.43 2f98 h LYS 57 N 1.02 0.67 0.07 3.15 3.64 -0.82 -2.47 116.57 121.83 2f98 h LYS 57 Ca 0.31 -0.41 -0.34 0.00 -1.27 0.00 0.00 60.65 58.94 2f98 h LYS 57 Cb -0.01 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 2f98 h LYS 57 CO -0.08 1.02 -1.97 2.41 -2.27 0.00 0.00 179.45 178.56 2f98 n THR 58 N -4.23 1.68 0.03 1.00 -1.04 -0.28 -4.19 114.28 107.25 2f98 n THR 58 Ca -0.05 -0.71 0.08 0.00 -2.04 0.00 0.00 64.05 61.33 2f98 n THR 58 Cb 0.52 -1.40 0.18 0.00 -1.82 0.00 0.00 70.33 67.81 2f98 n THR 58 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2f98 n PHE 59 N -3.27 0.47 0.00 -1.42 3.72 0.13 -1.20 117.46 115.88 2f98 n PHE 59 Ca -0.28 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 2f98 n PHE 59 Cb 1.05 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 2f98 n PHE 59 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2f98 n SER 60 N 0.97 0.00 0.27 4.37 3.41 -0.94 -1.57 113.62 120.12 2f98 n SER 60 Ca 0.15 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.89 2f98 n SER 60 Cb 0.48 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 65.17 2f98 n SER 60 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2f98 h GLU 61 N 0.00 0.00 -0.01 4.33 4.39 -1.85 -2.20 114.58 119.24 2f98 h GLU 61 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2f98 h GLU 61 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2f98 h GLU 61 CO 0.00 0.11 0.00 0.39 -1.16 0.00 0.00 179.01 178.35 2f98 n GLU 62 N -3.53 1.26 -1.99 2.33 4.71 -1.26 -4.89 120.64 117.28 2f98 n GLU 62 Ca -0.02 -0.38 -0.42 0.00 -0.01 0.00 0.00 57.16 56.34 2f98 n GLU 62 Cb 0.24 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.17 2f98 n GLU 62 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2f98 s ALA 63 N -1.99 3.68 0.05 0.62 0.00 -0.83 -4.87 121.76 118.42 2f98 s ALA 63 Ca 0.42 1.34 -0.05 0.00 0.00 0.00 0.00 51.96 53.68 2f98 s ALA 63 Cb 0.21 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2f98 s ALA 63 CO 0.34 -0.76 0.08 -0.98 0.00 0.00 0.00 175.76 174.44 2f98 s ARG 64 N 0.15 0.64 -0.23 0.00 1.70 -0.71 -4.52 118.95 115.97 2f98 s ARG 64 Ca 0.63 -0.91 -0.06 0.00 -0.47 0.00 0.00 55.73 54.92 2f98 s ARG 64 Cb -0.42 0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.17 2f98 s ARG 64 CO 0.39 -0.16 0.04 -0.51 -1.08 0.00 0.00 175.30 173.98 2f98 s LEU 65 N -2.46 3.34 0.01 -1.89 1.43 -1.26 -0.38 118.68 117.47 2f98 s LEU 65 Ca -0.00 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2f98 s LEU 65 Cb 0.02 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2f98 s LEU 65 CO -0.07 -0.00 0.26 -1.61 0.23 0.00 0.00 176.35 175.16 2f98 s GLU 66 N 1.41 3.57 -0.12 1.70 0.41 0.06 -4.90 118.70 120.83 2f98 s GLU 66 Ca 0.05 -0.10 -0.21 0.00 -0.41 0.00 0.00 54.97 54.30 2f98 s GLU 66 Cb -0.15 -3.07 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 2f98 s GLU 66 CO 0.02 0.65 0.59 -2.00 -0.49 0.00 0.00 175.26 174.03 2f98 s GLU 67 N -1.80 4.34 -0.21 1.61 2.12 -1.26 -0.89 118.70 122.61 2f98 s GLU 67 Ca 0.28 0.64 -0.18 0.00 0.36 0.00 0.00 54.97 56.07 2f98 s GLU 67 Cb -0.13 -3.47 -0.15 0.00 0.26 0.00 0.00 34.13 30.64 2f98 s GLU 67 CO 0.17 0.03 0.04 0.28 -0.54 0.00 0.00 175.26 175.23 2f98 n VAL 68 N 3.96 1.51 -3.52 3.70 0.31 0.32 -4.96 118.33 119.64 2f98 n VAL 68 Ca -0.04 -0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.15 2f98 n VAL 68 Cb 0.51 -2.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 2f98 n VAL 68 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2f98 s GLY 69 N -4.86 -0.43 -0.01 2.92 0.00 -1.01 -5.02 107.32 98.91 2f98 s GLY 69 Ca -0.28 1.30 -0.00 0.00 0.00 0.00 0.00 44.72 45.74 2f98 s GLY 69 CO 0.51 0.59 0.01 -0.42 0.00 0.00 0.00 173.10 173.79 2f98 s ILE 70 N -2.37 -0.02 0.16 0.90 1.01 -1.26 -0.41 121.20 119.22 2f98 s ILE 70 Ca 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 2f98 s ILE 70 Cb -0.01 -0.03 -0.03 0.00 0.01 0.00 0.00 42.46 42.40 2f98 s ILE 70 CO -0.04 0.02 0.13 -1.83 0.00 0.00 0.00 174.94 173.22 2f98 s GLU 71 N 0.29 1.07 0.04 2.79 1.03 -0.69 -5.01 118.70 118.22 2f98 s GLU 71 Ca -0.02 -1.46 -0.05 0.00 0.03 0.00 0.00 54.97 53.46 2f98 s GLU 71 Cb -0.04 0.28 -0.01 0.00 -0.80 0.00 0.00 34.13 33.56 2f98 s GLU 71 CO -0.01 -0.34 0.09 -1.83 -1.33 0.00 0.00 175.26 171.84 2f98 s GLU 72 N -4.08 0.58 -0.18 -4.83 -1.05 -1.26 -0.67 118.70 107.21 2f98 s GLU 72 Ca 0.28 -0.76 -0.04 0.00 -0.15 0.00 0.00 54.97 54.30 2f98 s GLU 72 Cb 0.06 0.22 0.08 0.00 -0.44 0.00 0.00 34.13 34.06 2f98 s GLU 72 CO 0.05 -0.14 0.23 0.50 0.95 0.00 0.00 175.26 176.85 2f98 s ARG 73 N -2.59 0.17 4.02 -4.83 3.52 -0.02 -5.00 118.95 114.21 2f98 s ARG 73 Ca -0.05 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 2f98 s ARG 73 Cb -0.01 -0.83 0.00 0.00 -1.56 0.00 0.00 34.95 32.55 2f98 s ARG 73 CO -0.05 -0.54 0.00 0.00 -0.81 0.00 0.00 175.30 173.90 2f98 n ALA 74 N 5.33 0.00 0.25 6.12 0.00 -1.26 -0.71 120.51 130.23 2f98 n ALA 74 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.43 2f98 n ALA 74 Cb 0.50 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.14 2f98 n ALA 74 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2f98 n ASP 75 N 5.39 3.02 -4.34 0.00 5.75 -1.26 -4.88 116.55 120.22 2f98 n ASP 75 Ca 0.00 -2.35 -0.30 0.00 -0.01 0.00 0.00 54.79 52.13 2f98 n ASP 75 Cb 0.00 -0.51 -0.15 0.00 -1.03 0.00 0.00 41.12 39.43 2f98 n ASP 75 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2f98 s TRP 76 N -1.79 2.32 -0.02 2.11 0.52 0.11 -0.99 118.94 121.21 2f98 s TRP 76 Ca 0.26 -0.41 0.05 0.00 0.02 0.00 0.00 56.10 56.02 2f98 s TRP 76 Cb 0.19 -1.39 -0.01 0.00 -1.15 0.00 0.00 33.47 31.11 2f98 s TRP 76 CO 0.10 0.12 -0.18 0.08 0.02 0.00 0.00 176.95 177.10 2f98 s VAL 77 N -0.80 1.40 -0.16 4.03 1.01 -0.32 -0.84 120.40 124.72 2f98 s VAL 77 Ca 0.12 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2f98 s VAL 77 Cb -0.10 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2f98 s VAL 77 CO 0.02 0.40 -0.21 -0.60 0.00 0.00 0.00 175.10 174.71 2f98 s ARG 78 N -0.36 3.01 -0.14 2.72 3.52 0.15 -0.58 118.95 127.27 2f98 s ARG 78 Ca 0.06 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.83 2f98 s ARG 78 Cb -0.07 -2.50 -0.00 0.00 -1.56 0.00 0.00 34.95 30.81 2f98 s ARG 78 CO -0.00 -0.11 -0.18 0.00 -0.81 0.00 0.00 175.30 174.20 2f98 s ALA 79 N 1.04 2.40 -0.31 6.12 0.00 0.05 -1.70 121.76 129.36 2f98 s ALA 79 Ca -0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.82 2f98 s ALA 79 Cb -0.14 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 2f98 s ALA 79 CO -0.07 0.07 0.16 1.03 0.00 0.00 0.00 175.76 176.95 2f98 s ARG 80 N 0.67 3.48 0.27 0.00 0.52 0.46 -0.93 118.95 123.41 2f98 s ARG 80 Ca -0.09 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 2f98 s ARG 80 Cb -0.16 -3.60 -0.06 0.00 0.52 0.00 0.00 34.95 31.66 2f98 s ARG 80 CO 0.02 -0.37 0.05 -0.51 0.02 0.00 0.00 175.30 174.51 2f98 s LEU 81 N 1.65 2.00 -0.08 2.53 1.43 -0.22 -0.52 118.68 125.47 2f98 s LEU 81 Ca 0.05 -1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 51.82 2f98 s LEU 81 Cb -0.17 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 45.87 2f98 s LEU 81 CO 0.07 -0.62 -0.04 -0.69 0.23 0.00 0.00 176.35 175.31 2f98 s VAL 82 N -3.49 0.63 -0.04 -1.59 1.01 -0.07 -0.16 120.40 116.70 2f98 s VAL 82 Ca 0.34 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 2f98 s VAL 82 Cb 0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2f98 s VAL 82 CO 0.13 0.29 0.76 -0.22 0.00 0.00 0.00 175.10 176.05 2f98 s LEU 83 N 1.58 4.35 -0.08 3.92 2.96 0.02 -0.76 118.68 130.68 2f98 s LEU 83 Ca 0.00 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.24 2f98 s LEU 83 Cb -0.13 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 2f98 s LEU 83 CO -0.04 -0.12 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.43 2f98 s TYR 84 N 0.70 2.76 0.37 5.38 2.02 0.48 -1.15 117.35 127.91 2f98 s TYR 84 Ca 0.40 -0.31 -0.16 0.00 -0.37 0.00 0.00 57.07 56.63 2f98 s TYR 84 Cb -0.19 -1.71 0.05 0.00 -0.40 0.00 0.00 41.96 39.71 2f98 s TYR 84 CO 0.21 0.06 0.76 0.20 -1.57 0.00 0.00 175.55 175.21 2f98 s GLY 85 N -0.35 0.36 -0.04 0.71 0.00 -0.54 -1.73 107.32 105.72 2f98 s GLY 85 Ca 0.04 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.04 2f98 s GLY 85 CO 0.02 -0.32 -0.05 -1.60 0.00 0.00 0.00 173.10 171.16 2f98 s ARG 86 N -2.57 0.90 -0.91 2.90 3.52 -0.61 -1.64 118.95 120.54 2f98 s ARG 86 Ca 0.16 -0.14 -0.24 0.00 -0.13 0.00 0.00 55.73 55.38 2f98 s ARG 86 Cb -0.05 -0.87 0.03 0.00 -1.56 0.00 0.00 34.95 32.50 2f98 s ARG 86 CO 0.11 -0.06 1.46 -1.58 -0.81 0.00 0.00 175.30 174.42 2f98 s HIS 87 N 0.85 2.36 -0.50 5.12 5.65 0.08 -3.60 115.29 125.26 2f98 s HIS 87 Ca -0.12 -0.42 0.07 0.00 0.25 0.00 0.00 55.06 54.83 2f98 s HIS 87 Cb -0.14 -4.60 -0.03 0.00 -1.18 0.00 0.00 32.58 26.62 2f98 s HIS 87 CO 0.01 -1.98 0.42 1.33 -0.65 0.00 0.00 174.74 173.86 2f98 n VAL 88 N 6.84 0.00 -4.43 0.89 0.24 -0.34 0.20 118.33 121.73 2f98 n VAL 88 Ca 0.25 -0.39 -0.23 0.00 -2.04 0.00 0.00 64.34 61.92 2f98 n VAL 88 Cb 0.50 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.81 2f98 n VAL 88 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2f98 s GLY 89 N -1.32 1.75 0.49 7.63 0.00 -0.75 -4.77 107.32 110.34 2f98 s GLY 89 Ca 0.04 -1.78 -0.24 0.00 0.00 0.00 0.00 44.72 42.75 2f98 s GLY 89 CO 0.22 -1.85 1.41 1.85 0.00 0.00 0.00 173.10 174.73 2f98 s GLU 90 N -3.35 3.47 -0.21 2.90 2.56 -1.26 -4.13 118.70 118.68 2f98 s GLU 90 Ca 0.26 2.38 -0.08 0.00 0.00 0.00 0.00 54.97 57.53 2f98 s GLU 90 Cb -0.05 -2.51 0.09 0.00 2.00 0.00 0.00 34.13 33.66 2f98 s GLU 90 CO 0.12 -0.97 0.46 1.41 -0.56 0.00 0.00 175.26 175.72 2f98 s MET 91 N -2.62 0.37 -1.29 4.30 -2.45 -0.69 -4.93 119.30 111.99 2f98 s MET 91 Ca 0.65 1.08 -0.07 0.00 -1.25 0.00 0.00 55.69 56.10 2f98 s MET 91 Cb -0.43 0.38 0.01 0.00 1.25 0.00 0.00 34.83 36.04 2f98 s MET 91 CO 0.54 -0.23 0.13 1.33 1.05 0.00 0.00 175.02 177.84 2f98 n VAL 92 N 5.29 -1.18 -0.98 10.11 0.24 -1.26 -0.57 118.33 129.99 2f98 n VAL 92 Ca -0.10 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 2f98 n VAL 92 Cb 0.50 -1.11 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 2f98 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2f98 n GLY 93 N -2.30 0.42 3.65 7.63 0.00 -1.26 -4.89 105.19 108.44 2f98 n GLY 93 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2f98 n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2f98 s MET 94 N -0.51 3.93 0.55 1.61 -1.94 0.27 -0.37 119.30 122.84 2f98 s MET 94 Ca 0.00 -0.33 -0.20 0.00 -1.71 0.00 0.00 55.69 53.44 2f98 s MET 94 Cb 0.00 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 2f98 s MET 94 CO 0.00 0.31 1.23 0.00 -0.01 0.00 0.00 175.02 176.55 2f98 s ALA 95 N 0.27 2.71 0.17 3.03 0.00 -1.26 -1.71 121.76 124.98 2f98 s ALA 95 Ca 0.04 1.06 -0.33 0.00 0.00 0.00 0.00 51.96 52.72 2f98 s ALA 95 Cb -0.12 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.39 2f98 s ALA 95 CO 0.00 -1.08 1.39 -2.30 0.00 0.00 0.00 175.76 173.78 2f98 n PRO 96 N -1.19 1.71 0.04 0.00 -0.02 -1.26 -4.89 135.00 129.39 2f98 n PRO 96 Ca 0.11 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 2f98 n PRO 96 Cb 0.48 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 2f98 n PRO 96 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2f98 n THR 97 N 2.36 0.27 -1.04 3.45 -2.24 -1.15 -4.98 114.28 110.94 2f98 n THR 97 Ca 0.15 -0.47 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 2f98 n THR 97 Cb 0.27 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 2f98 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f98 n GLY 98 N 1.25 0.49 3.86 3.38 0.00 0.13 -5.01 105.19 109.29 2f98 n GLY 98 Ca -0.01 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2f98 n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f98 s ARG 99 N -1.06 3.74 0.59 1.61 0.52 -1.25 -4.66 118.95 118.45 2f98 s ARG 99 Ca 0.00 0.18 -0.18 0.00 -0.52 0.00 0.00 55.73 55.22 2f98 s ARG 99 Cb 0.00 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 2f98 s ARG 99 CO 0.00 0.67 1.14 -0.51 0.02 0.00 0.00 175.30 176.62 2f98 s LEU 100 N -1.35 3.61 0.16 2.53 1.43 -1.26 -0.74 118.68 123.06 2f98 s LEU 100 Ca 0.25 2.16 -0.22 0.00 -1.03 0.00 0.00 54.13 55.28 2f98 s LEU 100 Cb -0.15 -4.57 0.07 0.00 0.03 0.00 0.00 46.19 41.56 2f98 s LEU 100 CO 0.13 -1.43 0.58 0.72 0.23 0.00 0.00 176.35 176.58 2f98 s PHE 101 N -1.93 -0.49 -0.15 0.29 -0.12 -0.65 -4.71 117.98 110.22 2f98 s PHE 101 Ca 0.72 0.27 -0.12 0.00 -0.05 0.00 0.00 56.93 57.75 2f98 s PHE 101 Cb -0.24 0.53 0.04 0.00 -0.63 0.00 0.00 43.02 42.72 2f98 s PHE 101 CO 0.33 -0.84 0.38 0.45 -0.05 0.00 0.00 175.22 175.49 2f98 s SER 102 N -2.76 -0.43 -0.16 1.98 0.15 -1.26 -1.47 113.70 109.76 2f98 s SER 102 Ca 0.01 0.79 -0.13 0.00 0.70 0.00 0.00 55.95 57.32 2f98 s SER 102 Cb -0.01 0.76 0.04 0.00 -1.71 0.00 0.00 66.02 65.10 2f98 s SER 102 CO -0.13 -0.15 0.41 -0.83 1.20 0.00 0.00 173.24 173.74 2f98 s GLY 103 N 0.63 -0.31 0.66 9.45 0.00 -0.30 -4.78 107.32 112.66 2f98 s GLY 103 Ca -0.03 1.22 -0.18 0.00 0.00 0.00 0.00 44.72 45.73 2f98 s GLY 103 CO -0.04 1.11 1.26 -0.54 0.00 0.00 0.00 173.10 174.89 2f98 s GLU 104 N 0.41 2.53 0.04 2.90 2.02 -1.26 -0.80 118.70 124.55 2f98 s GLU 104 Ca -0.02 1.97 0.02 0.00 0.02 0.00 0.00 54.97 56.96 2f98 s GLU 104 Cb -0.04 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 2f98 s GLU 104 CO -0.02 -1.59 -0.08 -0.65 0.02 0.00 0.00 175.26 172.95 2f98 s GLN 105 N -3.48 0.52 -0.10 1.61 -0.21 0.78 -2.31 119.66 116.47 2f98 s GLN 105 Ca 0.80 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 55.45 2f98 s GLN 105 Cb -0.35 -0.28 -0.01 0.00 1.00 0.00 0.00 33.01 33.37 2f98 s GLN 105 CO 0.40 0.05 -0.18 0.42 -2.12 0.00 0.00 175.29 173.85 2f98 s ILE 106 N -1.37 2.60 -0.08 1.08 -1.09 -0.86 -1.06 121.20 120.41 2f98 s ILE 106 Ca -0.10 -0.84 0.05 0.00 -2.23 0.00 0.00 60.65 57.53 2f98 s ILE 106 Cb -0.10 -2.04 -0.01 0.00 -1.58 0.00 0.00 42.46 38.74 2f98 s ILE 106 CO 0.00 0.55 -0.24 -1.00 -1.23 0.00 0.00 174.94 173.02 2f98 s HIS 107 N 0.19 2.51 -0.22 3.97 3.76 -0.11 -0.50 115.29 124.89 2f98 s HIS 107 Ca -0.11 -0.85 -0.01 0.00 -0.15 0.00 0.00 55.06 53.94 2f98 s HIS 107 Cb -0.16 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 31.89 2f98 s HIS 107 CO 0.06 -0.30 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.04 2f98 s LEU 108 N 0.06 2.81 -0.11 0.89 1.02 0.83 -0.77 118.68 123.42 2f98 s LEU 108 Ca -0.10 -0.74 0.02 0.00 0.02 0.00 0.00 54.13 53.33 2f98 s LEU 108 Cb -0.16 -1.61 -0.01 0.00 0.02 0.00 0.00 46.19 44.43 2f98 s LEU 108 CO 0.06 -0.07 -0.19 -0.76 0.02 0.00 0.00 176.35 175.41 2f98 s LEU 109 N 1.33 2.39 -0.19 1.79 2.01 0.25 -1.40 118.68 124.86 2f98 s LEU 109 Ca 0.02 -0.45 -0.06 0.00 0.01 0.00 0.00 54.13 53.65 2f98 s LEU 109 Cb -0.15 -1.51 -0.03 0.00 0.01 0.00 0.00 46.19 44.51 2f98 s LEU 109 CO -0.07 0.16 0.04 -2.28 1.01 0.00 0.00 176.35 175.21 2f98 s HIS 110 N 0.35 3.15 -0.10 0.29 5.65 0.47 -1.18 115.29 123.93 2f98 s HIS 110 Ca -0.15 -0.14 -0.12 0.00 0.25 0.00 0.00 55.06 54.90 2f98 s HIS 110 Cb -0.17 -2.09 -0.05 0.00 -1.18 0.00 0.00 32.58 29.09 2f98 s HIS 110 CO 0.07 -0.02 0.28 -0.06 -0.65 0.00 0.00 174.74 174.36 2f98 s PHE 111 N 0.68 3.59 -0.01 3.88 0.40 -0.16 -0.37 117.98 125.99 2f98 s PHE 111 Ca 0.02 0.70 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 2f98 s PHE 111 Cb -0.14 -2.21 0.01 0.00 0.51 0.00 0.00 43.02 41.20 2f98 s PHE 111 CO 0.02 0.51 -0.00 0.08 0.70 0.00 0.00 175.22 176.53 2f98 s VAL 112 N -0.46 0.12 -1.52 -0.44 1.01 -0.54 -4.86 120.40 113.70 2f98 s VAL 112 Ca 0.18 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 2f98 s VAL 112 Cb -0.14 -0.17 0.08 0.00 0.00 0.00 0.00 36.38 36.15 2f98 s VAL 112 CO 0.07 0.09 0.82 0.47 0.00 0.00 0.00 175.10 176.55 2f98 n ASP 113 N 3.64 -3.33 0.00 3.32 10.43 -1.26 -1.65 116.55 127.69 2f98 n ASP 113 Ca -0.20 -0.87 0.00 0.00 2.57 0.00 0.00 54.79 56.29 2f98 n ASP 113 Cb 0.54 -3.54 0.00 0.00 1.84 0.00 0.00 41.12 39.97 2f98 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f98 n GLY 114 N -1.65 0.22 3.35 0.44 0.00 -1.26 -4.99 105.19 101.30 2f98 n GLY 114 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2f98 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f98 s LYS 115 N -1.13 1.35 -0.20 1.61 1.02 -0.66 -4.95 119.74 116.77 2f98 s LYS 115 Ca 0.00 -1.65 -0.29 0.00 0.02 0.00 0.00 55.97 54.05 2f98 s LYS 115 Cb 0.00 -0.89 -0.01 0.00 -0.52 0.00 0.00 37.83 36.41 2f98 s LYS 115 CO 0.00 0.04 1.26 0.42 -0.92 0.00 0.00 175.35 176.15 2f98 s ILE 116 N -3.18 4.27 -0.09 2.17 1.01 0.11 -1.46 121.20 124.02 2f98 s ILE 116 Ca 0.25 1.51 0.01 0.00 0.00 0.00 0.00 60.65 62.42 2f98 s ILE 116 Cb 0.03 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 2f98 s ILE 116 CO 0.08 -0.23 -0.08 1.57 0.00 0.00 0.00 174.94 176.28 2f98 n HIS 117 N 6.86 0.00 -4.71 3.97 -0.00 0.50 -0.95 115.22 120.89 2f98 n HIS 117 Ca 0.14 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.08 2f98 n HIS 117 Cb 0.45 -0.37 -0.16 0.00 -0.12 0.00 0.00 29.99 29.80 2f98 n HIS 117 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2f98 s HIS 118 N -2.19 1.44 -0.09 1.57 5.65 -1.04 -1.74 115.29 118.90 2f98 s HIS 118 Ca -0.12 -0.34 -0.03 0.00 0.25 0.00 0.00 55.06 54.81 2f98 s HIS 118 Cb 0.03 -0.96 0.04 0.00 -1.18 0.00 0.00 32.58 30.51 2f98 s HIS 118 CO 0.23 -0.09 0.06 -1.58 -0.65 0.00 0.00 174.74 172.70 2f98 s HIS 119 N -0.12 0.25 -0.06 3.88 2.46 -0.48 -0.40 115.29 120.83 2f98 s HIS 119 Ca 0.01 -0.03 0.06 0.00 0.47 0.00 0.00 55.06 55.56 2f98 s HIS 119 Cb -0.09 -0.62 -0.01 0.00 -0.13 0.00 0.00 32.58 31.73 2f98 s HIS 119 CO 0.01 -0.32 -0.24 0.50 -2.47 0.00 0.00 174.74 172.21 2f98 s ARG 120 N 2.11 2.60 -0.01 2.88 3.52 -0.50 -4.00 118.95 125.56 2f98 s ARG 120 Ca 0.04 -0.89 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 2f98 s ARG 120 Cb -0.13 -2.19 -0.01 0.00 -1.56 0.00 0.00 34.95 31.05 2f98 s ARG 120 CO -0.05 0.38 -0.09 0.16 -0.81 0.00 0.00 175.30 174.89 2f98 s ASP 121 N -0.16 1.09 -0.38 -2.12 -4.77 -1.26 -0.12 116.67 108.95 2f98 s ASP 121 Ca -0.04 -0.17 0.01 0.00 -3.30 0.00 0.00 52.55 49.06 2f98 s ASP 121 Cb -0.14 -0.13 0.11 0.00 -1.09 0.00 0.00 42.92 41.67 2f98 s ASP 121 CO 0.04 0.11 0.12 0.26 0.70 0.00 0.00 175.17 176.40 2f98 s TRP 122 N -0.20 3.68 0.76 2.11 0.51 0.34 -4.97 118.94 121.17 2f98 s TRP 122 Ca 0.03 -2.78 -0.11 0.00 -2.12 0.00 0.00 56.10 51.12 2f98 s TRP 122 Cb -0.04 -3.05 0.05 0.00 -0.81 0.00 0.00 33.47 29.63 2f98 s TRP 122 CO -0.00 -0.95 1.10 -2.14 -0.51 0.00 0.00 176.95 174.44 2f98 s PRO 123 N 0.94 2.29 -1.31 4.98 0.02 -1.26 -2.04 135.00 138.62 2f98 s PRO 123 Ca 0.10 1.23 -0.15 0.00 0.02 0.00 0.00 61.00 62.20 2f98 s PRO 123 Cb -0.21 -1.90 0.10 0.00 0.02 0.00 0.00 34.50 32.51 2f98 s PRO 123 CO -0.06 -1.62 1.78 -3.47 -0.33 0.00 0.00 177.00 173.30 2f98 n ASP 124 N -3.35 4.81 -0.01 2.53 2.03 -0.98 -4.83 116.55 116.75 2f98 n ASP 124 Ca 0.09 -2.94 -0.11 0.00 0.52 0.00 0.00 54.79 52.36 2f98 n ASP 124 Cb 0.53 -1.67 -0.05 0.00 -0.72 0.00 0.00 41.12 39.21 2f98 n ASP 124 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2f98 h TYR 125 N 6.99 0.15 -0.58 -0.67 -1.99 -1.92 -1.68 116.97 117.27 2f98 h TYR 125 Ca 0.44 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.09 2f98 h TYR 125 Cb 0.80 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.46 2f98 h TYR 125 CO 1.35 0.09 0.05 1.96 -0.00 0.00 0.00 178.16 181.61 2f98 h GLN 126 N 0.16 1.00 -0.30 4.88 4.20 -1.99 -0.12 115.11 122.94 2f98 h GLN 126 Ca 0.05 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.33 2f98 h GLN 126 Cb -0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2f98 h GLN 126 CO -0.01 0.96 -0.35 0.78 -0.67 0.00 0.00 178.83 179.55 2f98 h GLY 127 N 0.89 0.72 0.78 3.46 0.00 -1.95 -1.59 103.07 105.38 2f98 h GLY 127 Ca 0.17 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 2f98 h GLY 127 CO 0.02 0.62 -0.11 -0.84 0.00 0.00 0.00 176.54 176.23 2f98 h THR 128 N 0.56 1.32 -0.68 4.70 2.02 -1.13 -2.35 112.91 117.34 2f98 h THR 128 Ca 0.06 -1.19 0.08 0.00 0.77 0.00 0.00 66.41 66.13 2f98 h THR 128 Cb 0.86 1.72 -0.07 0.00 -1.74 0.00 0.00 68.15 68.92 2f98 h THR 128 CO 0.07 0.36 0.35 0.22 0.37 0.00 0.00 175.52 176.89 2f98 h TYR 129 N 0.06 0.63 -0.59 3.16 3.20 -0.90 0.23 116.97 122.76 2f98 h TYR 129 Ca 0.04 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.98 2f98 h TYR 129 Cb 0.60 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 2f98 h TYR 129 CO 0.07 0.25 0.32 0.00 -1.64 0.00 0.00 178.16 177.16 2f98 h ARG 130 N 0.61 0.60 0.00 1.82 3.08 -1.20 -0.03 114.38 119.26 2f98 h ARG 130 Ca 0.33 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 2f98 h ARG 130 Cb 0.30 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2f98 h ARG 130 CO -0.24 0.40 -0.13 1.96 -1.07 0.00 0.00 179.97 180.88 2f98 h GLN 131 N 0.62 0.00 -0.01 0.04 4.20 -0.62 -2.50 115.11 116.84 2f98 h GLN 131 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2f98 h GLN 131 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2f98 h GLN 131 CO -0.15 0.13 0.00 1.28 -0.67 0.00 0.00 178.83 179.42 2f98 n LEU 132 N -3.39 0.67 0.00 1.46 4.77 -0.07 -4.80 117.00 115.64 2f98 n LEU 132 Ca -0.01 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2f98 n LEU 132 Cb 0.32 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2f98 n LEU 132 CO 0.30 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2f98 n GLY 133 N 1.08 0.65 3.66 -0.72 0.00 -0.94 -4.29 105.19 104.62 2f98 n GLY 133 Ca 0.22 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2f98 n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f98 n GLU 134 N -2.69 -2.87 -1.87 1.61 1.02 -0.09 -4.92 120.64 110.83 2f98 n GLU 134 Ca 0.00 0.56 -0.39 0.00 -0.02 0.00 0.00 57.16 57.31 2f98 n GLU 134 Cb 0.00 -4.77 0.02 0.00 -0.02 0.00 0.00 31.44 26.67 2f98 n GLU 134 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2f98 s PRO 135 N -5.82 3.60 0.21 3.49 0.04 -1.26 -5.00 135.00 130.25 2f98 s PRO 135 Ca 0.26 2.28 -0.24 0.00 0.04 0.00 0.00 61.00 63.34 2f98 s PRO 135 Cb -0.08 -2.55 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 2f98 s PRO 135 CO 0.83 -0.84 0.79 -1.58 0.04 0.00 0.00 177.00 176.24 2f98 s TRP 136 N -1.26 3.80 0.56 0.56 0.52 -1.26 -5.05 118.94 116.82 2f98 s TRP 136 Ca 0.63 1.60 -0.20 0.00 0.02 0.00 0.00 56.10 58.15 2f98 s TRP 136 Cb -0.41 -2.76 -0.04 0.00 -1.15 0.00 0.00 33.47 29.11 2f98 s TRP 136 CO 0.51 0.42 1.24 -1.25 0.02 0.00 0.00 176.95 177.89 2f98 s PRO 137 N -1.53 3.11 0.01 4.98 0.04 -1.26 -4.76 135.00 135.58 2f98 s PRO 137 Ca 0.40 1.92 0.22 0.00 0.04 0.00 0.00 61.00 63.58 2f98 s PRO 137 Cb -0.21 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.12 2f98 s PRO 137 CO 0.25 -1.12 0.87 -0.85 0.04 0.00 0.00 177.00 176.18 2f98 n GLU 138 N -1.31 0.22 -3.52 4.56 0.28 0.50 -4.98 120.64 116.40 2f98 n GLU 138 Ca 0.12 -0.05 -0.15 0.00 -0.16 0.00 0.00 57.16 56.93 2f98 n GLU 138 Cb 0.48 -1.53 -0.05 0.00 1.43 0.00 0.00 31.44 31.77 2f98 n GLU 138 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2f98 s THR 139 N -3.17 0.00 -1.42 3.84 -1.32 -1.21 -5.00 115.64 107.35 2f98 s THR 139 Ca 0.03 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.77 2f98 s THR 139 Cb 0.15 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.29 2f98 s THR 139 CO 0.85 0.00 1.48 -1.84 -2.21 0.00 0.00 174.62 172.90 2f98 n GLU 140 N 0.62 0.47 -0.86 7.08 0.28 -1.26 -4.25 120.64 122.72 2f98 n GLU 140 Ca -0.16 -0.28 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 2f98 n GLU 140 Cb 0.59 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.96 2f98 n GLU 140 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69