#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1we9 s SER 2 N 0.00 5.43 -0.41 1.61 1.04 -1.26 -5.01 113.70 115.11 1we9 s SER 2 Ca 0.00 -0.32 -0.36 0.00 0.48 0.00 0.00 55.95 55.76 1we9 s SER 2 Cb 0.00 -1.98 -0.15 0.00 0.10 0.00 0.00 66.02 63.98 1we9 s SER 2 CO 0.00 -0.10 1.74 -0.24 0.98 0.00 0.00 173.24 175.62 1we9 n SER 3 N 4.97 0.61 -4.11 7.02 2.88 -1.26 -4.86 113.62 118.86 1we9 n SER 3 Ca -0.15 0.55 -0.36 0.00 -1.33 0.00 0.00 58.87 57.58 1we9 n SER 3 Cb 0.50 -0.73 -0.10 0.00 -0.75 0.00 0.00 64.21 63.13 1we9 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1we9 s GLY 4 N 4.89 2.25 -0.17 0.46 0.00 -1.26 -4.90 107.32 108.59 1we9 s GLY 4 Ca 0.98 -2.90 -0.15 0.00 0.00 0.00 0.00 44.72 42.64 1we9 s GLY 4 CO 0.53 1.07 0.29 1.76 0.00 0.00 0.00 173.10 176.75 1we9 h SER 5 N 7.56 0.18 -0.32 1.64 0.02 -2.05 -3.47 113.55 117.12 1we9 h SER 5 Ca -0.08 -0.70 -0.59 0.00 -0.84 0.00 0.00 61.79 59.59 1we9 h SER 5 Cb 1.00 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 1we9 h SER 5 CO 0.71 1.65 0.76 -1.54 -1.14 0.00 0.00 176.83 177.26 1we9 n SER 6 N -4.04 0.69 0.00 3.07 3.41 -1.26 -4.77 113.62 110.72 1we9 n SER 6 Ca -0.32 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1we9 n SER 6 Cb 0.84 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1we9 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1we9 n GLY 7 N 4.32 1.96 0.61 5.00 0.00 -1.26 -5.10 105.19 110.70 1we9 n GLY 7 Ca 0.32 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1we9 n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1we9 n GLN 8 N 0.00 0.08 -3.74 1.61 3.00 -1.26 -4.94 117.38 112.13 1we9 n GLN 8 Ca 0.00 0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.66 1we9 n GLN 8 Cb 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 30.24 29.68 1we9 n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1we9 n GLY 10 N 3.78 -0.70 0.45 0.00 0.00 -1.26 0.49 105.19 107.94 1we9 n GLY 10 Ca 0.05 0.54 -0.19 0.00 0.00 0.00 0.00 46.02 46.42 1we9 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1we9 h ALA 11 N 0.90 -1.11 0.00 4.61 0.00 -1.92 -3.44 119.26 118.31 1we9 h ALA 11 Ca 0.69 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1we9 h ALA 11 Cb 2.57 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.79 1we9 h ALA 11 CO -0.13 -1.09 -0.25 0.00 0.00 0.00 0.00 179.25 177.78 1we9 n GLY 13 N 1.92 0.36 3.68 0.00 0.00 0.44 -4.84 105.19 106.75 1we9 n GLY 13 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1we9 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1we9 s GLU 14 N -3.84 0.91 0.92 1.61 0.41 -1.26 -4.79 118.70 112.66 1we9 s GLU 14 Ca 0.05 0.85 -0.10 0.00 -0.41 0.00 0.00 54.97 55.36 1we9 s GLU 14 Cb -0.01 -1.77 0.15 0.00 -1.78 0.00 0.00 34.13 30.73 1we9 s GLU 14 CO 0.16 -2.49 1.14 0.45 -0.49 0.00 0.00 175.26 174.03 1we9 n SER 15 N -4.06 0.28 -4.63 -0.19 2.88 -1.26 -4.87 113.62 101.77 1we9 n SER 15 Ca 0.07 0.41 -0.43 0.00 -1.33 0.00 0.00 58.87 57.59 1we9 n SER 15 Cb 0.55 -1.47 -0.03 0.00 -0.75 0.00 0.00 64.21 62.51 1we9 n SER 15 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1we9 s TYR 16 N -2.63 1.76 0.17 0.66 5.04 -1.26 -4.98 117.35 116.10 1we9 s TYR 16 Ca 0.67 0.35 0.10 0.00 -2.44 0.00 0.00 57.07 55.75 1we9 s TYR 16 Cb -0.23 -4.02 -0.04 0.00 0.35 0.00 0.00 41.96 38.02 1we9 s TYR 16 CO 0.58 -3.66 -0.22 0.00 -1.34 0.00 0.00 175.55 170.90 1we9 s ALA 17 N 5.67 2.28 -0.02 3.97 0.00 -1.26 -5.05 121.76 127.34 1we9 s ALA 17 Ca 0.80 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 1we9 s ALA 17 Cb -0.30 -0.29 -0.33 0.00 0.00 0.00 0.00 23.12 22.21 1we9 s ALA 17 CO 0.33 0.38 0.82 0.00 0.00 0.00 0.00 175.76 177.29 1we9 h ALA 18 N 3.42 -0.01 -1.87 0.00 0.00 -2.05 -3.40 119.26 115.35 1we9 h ALA 18 Ca -0.46 -0.98 -0.74 0.00 0.00 0.00 0.00 54.91 52.73 1we9 h ALA 18 Cb 1.20 0.31 -0.19 0.00 0.00 0.00 0.00 17.79 19.11 1we9 h ALA 18 CO 0.46 0.82 1.13 -0.51 0.00 0.00 0.00 179.25 181.15 1we9 s ASP 19 N -7.39 7.05 0.08 0.00 1.11 -1.26 -4.94 116.67 111.31 1we9 s ASP 19 Ca -0.13 -2.96 -0.20 0.00 0.18 0.00 0.00 52.55 49.44 1we9 s ASP 19 Cb 0.04 -2.37 0.05 0.00 1.07 0.00 0.00 42.92 41.71 1we9 s ASP 19 CO 0.89 -0.71 0.49 -1.61 1.18 0.00 0.00 175.17 175.40 1we9 s GLU 20 N 1.27 1.06 -0.29 8.23 0.41 -1.26 -5.14 118.70 122.97 1we9 s GLU 20 Ca 0.39 -0.39 0.03 0.00 -0.41 0.00 0.00 54.97 54.58 1we9 s GLU 20 Cb -0.04 0.48 0.08 0.00 -1.78 0.00 0.00 34.13 32.87 1we9 s GLU 20 CO -0.02 -0.40 -0.01 0.12 -0.49 0.00 0.00 175.26 174.45 1we9 s PHE 21 N -2.93 3.15 0.31 1.61 5.36 -1.26 -5.11 117.98 119.10 1we9 s PHE 21 Ca -0.03 -2.43 -0.14 0.00 -0.96 0.00 0.00 56.93 53.37 1we9 s PHE 21 Cb -0.00 -2.24 -0.09 0.00 -0.34 0.00 0.00 43.02 40.35 1we9 s PHE 21 CO -0.06 -0.89 0.70 -1.58 -1.46 0.00 0.00 175.22 171.94 1we9 s TRP 22 N 1.13 3.38 0.09 10.12 0.52 -1.26 -1.69 118.94 131.24 1we9 s TRP 22 Ca 0.02 1.16 0.02 0.00 0.02 0.00 0.00 56.10 57.32 1we9 s TRP 22 Cb -0.19 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.60 1we9 s TRP 22 CO -0.08 0.12 0.15 0.96 0.02 0.00 0.00 176.95 178.12 1we9 s ILE 23 N -1.96 4.90 -0.10 2.03 -5.25 1.00 -4.79 121.20 117.03 1we9 s ILE 23 Ca 0.53 -0.68 -0.01 0.00 -0.99 0.00 0.00 60.65 59.51 1we9 s ILE 23 Cb -0.10 -3.41 -0.03 0.00 2.95 0.00 0.00 42.46 41.87 1we9 s ILE 23 CO 0.18 0.07 -0.07 0.00 -1.79 0.00 0.00 174.94 173.33 1we9 n ASP 26 N 4.48 4.16 0.05 0.00 2.03 -1.26 -1.82 116.55 124.18 1we9 n ASP 26 Ca -0.21 -2.43 0.00 0.00 0.52 0.00 0.00 54.79 52.67 1we9 n ASP 26 Cb 0.50 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1we9 n ASP 26 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1we9 n LEU 27 N 0.53 0.05 -0.09 -2.67 4.77 -1.26 -4.92 117.00 113.42 1we9 n LEU 27 Ca 0.11 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1we9 n LEU 27 Cb 0.64 0.09 -0.16 0.00 -2.33 0.00 0.00 43.42 41.66 1we9 n LEU 27 CO 0.12 -0.53 -1.12 0.00 -1.33 0.00 0.00 177.39 174.53 1we9 n GLU 29 N -2.70 -4.33 -2.55 0.00 -0.58 -0.76 -5.04 120.64 104.68 1we9 n GLU 29 Ca -0.30 0.48 -0.14 0.00 -0.42 0.00 0.00 57.16 56.77 1we9 n GLU 29 Cb 1.11 -4.45 0.03 0.00 -0.57 0.00 0.00 31.44 27.56 1we9 n GLU 29 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1we9 n MET 30 N -3.00 0.78 -3.89 3.49 2.81 -1.26 -4.96 117.12 111.09 1we9 n MET 30 Ca -0.06 -2.20 -0.30 0.00 -1.81 0.00 0.00 57.70 53.33 1we9 n MET 30 Cb 0.56 -0.06 -0.14 0.00 -0.71 0.00 0.00 33.22 32.87 1we9 n MET 30 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1we9 s TRP 31 N -1.58 2.89 0.51 2.03 0.52 -1.22 -4.39 118.94 117.71 1we9 s TRP 31 Ca 0.37 -2.75 0.07 0.00 0.02 0.00 0.00 56.10 53.80 1we9 s TRP 31 Cb -0.03 -2.49 0.03 0.00 -1.15 0.00 0.00 33.47 29.83 1we9 s TRP 31 CO 0.23 -0.84 0.49 -0.06 0.02 0.00 0.00 176.95 176.80 1we9 s PHE 32 N 0.50 1.92 -0.14 -1.98 0.08 -1.24 -2.82 117.98 114.30 1we9 s PHE 32 Ca 0.14 -0.70 -0.06 0.00 0.12 0.00 0.00 56.93 56.43 1we9 s PHE 32 Cb -0.22 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 1we9 s PHE 32 CO -0.06 -0.53 0.06 -1.01 -0.10 0.00 0.00 175.22 173.58 1we9 s HIS 33 N -2.65 3.31 0.09 0.36 3.76 -1.26 -0.00 115.29 118.90 1we9 s HIS 33 Ca 0.45 0.22 -0.18 0.00 -0.15 0.00 0.00 55.06 55.40 1we9 s HIS 33 Cb -0.03 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 1we9 s HIS 33 CO 0.28 0.39 1.26 0.41 -0.85 0.00 0.00 174.74 176.23 1we9 n GLY 34 N 2.73 -2.65 0.34 -2.22 0.00 -0.68 0.18 105.19 102.89 1we9 n GLY 34 Ca -0.18 0.91 0.07 0.00 0.00 0.00 0.00 46.02 46.82 1we9 n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1we9 h LYS 35 N 0.00 0.86 -0.18 1.61 -0.00 -1.83 0.42 116.57 117.45 1we9 h LYS 35 Ca 0.09 -0.05 0.02 0.00 -0.00 0.00 0.00 60.65 60.71 1we9 h LYS 35 Cb 0.24 -0.19 -0.02 0.00 -0.00 0.00 0.00 32.23 32.26 1we9 h LYS 35 CO -0.55 0.57 0.07 0.00 -0.00 0.00 0.00 179.45 179.53 1we9 n VAL 37 N -5.04 0.00 -3.36 0.00 3.14 0.80 -4.85 118.33 109.02 1we9 n VAL 37 Ca -0.03 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.18 1we9 n VAL 37 Cb 0.06 -0.09 0.08 0.00 -1.06 0.00 0.00 33.84 32.83 1we9 n VAL 37 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1we9 n LYS 38 N -0.41 -6.39 -3.69 1.45 5.02 -0.31 -4.87 118.16 108.95 1we9 n LYS 38 Ca 0.00 0.77 -0.18 0.00 -2.02 0.00 0.00 58.31 56.88 1we9 n LYS 38 Cb 0.04 -5.59 -0.17 0.00 -0.02 0.00 0.00 35.03 29.30 1we9 n LYS 38 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1we9 s ILE 39 N -3.32 -0.15 0.66 -0.18 1.01 0.14 -4.98 121.20 114.38 1we9 s ILE 39 Ca 0.14 0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.99 1we9 s ILE 39 Cb -0.06 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1we9 s ILE 39 CO 0.67 0.15 1.17 0.42 0.00 0.00 0.00 174.94 177.35 1we9 s THR 40 N 2.01 2.73 -0.93 2.92 -4.23 -1.26 -2.90 115.64 113.98 1we9 s THR 40 Ca 0.02 0.38 0.16 0.00 -1.18 0.00 0.00 61.69 61.06 1we9 s THR 40 Cb -0.12 -2.98 0.14 0.00 1.34 0.00 0.00 72.50 70.87 1we9 s THR 40 CO -0.04 -0.17 1.49 -0.81 -0.54 0.00 0.00 174.62 174.55 1we9 n PRO 41 N -2.25 0.03 -0.12 3.99 -0.04 -1.26 -2.72 135.00 132.62 1we9 n PRO 41 Ca 0.12 0.28 -0.25 0.00 -0.04 0.00 0.00 63.50 63.61 1we9 n PRO 41 Cb 0.51 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1we9 n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1we9 n ALA 42 N -1.54 1.01 -0.30 0.55 0.00 -1.26 -4.41 120.51 114.55 1we9 n ALA 42 Ca 0.03 -0.85 0.09 0.00 0.00 0.00 0.00 53.44 52.71 1we9 n ALA 42 Cb 0.18 -0.11 0.31 0.00 0.00 0.00 0.00 19.45 19.83 1we9 n ALA 42 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1we9 h ARG 43 N -1.00 0.81 -0.89 0.00 2.43 -1.94 -2.00 114.38 111.79 1we9 h ARG 43 Ca -0.51 -0.05 0.36 0.00 -0.81 0.00 0.00 59.98 58.96 1we9 h ARG 43 Cb 1.43 -0.18 -0.14 0.00 -0.42 0.00 0.00 29.97 30.65 1we9 h ARG 43 CO -0.31 0.54 0.50 0.00 -1.51 0.00 0.00 179.97 179.19 1we9 n ALA 44 N -2.40 0.91 -0.23 2.80 0.00 -1.10 0.12 120.51 120.60 1we9 n ALA 44 Ca 0.17 0.82 0.03 0.00 0.00 0.00 0.00 53.44 54.47 1we9 n ALA 44 Cb 0.39 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 19.12 1we9 n ALA 44 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1we9 h GLU 45 N 0.00 0.14 -0.22 0.00 5.08 -1.62 -0.34 114.58 117.62 1we9 h GLU 45 Ca 0.71 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.87 1we9 h GLU 45 Cb 1.96 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1we9 h GLU 45 CO -0.59 0.09 -0.63 0.45 -1.00 0.00 0.00 179.01 177.34 1we9 h HIS 46 N 0.15 0.99 -4.03 4.33 3.86 0.66 -3.44 115.15 117.67 1we9 h HIS 46 Ca 0.37 -0.38 -0.53 0.00 -1.16 0.00 0.00 60.37 58.67 1we9 h HIS 46 Cb 0.63 -0.17 0.10 0.00 1.06 0.00 0.00 27.41 29.03 1we9 h HIS 46 CO -0.36 1.19 0.55 0.42 0.86 0.00 0.00 177.93 180.60 1we9 s ILE 47 N -3.96 2.55 0.13 2.45 1.01 -0.14 -4.96 121.20 118.28 1we9 s ILE 47 Ca -0.10 0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1we9 s ILE 47 Cb 0.10 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1we9 s ILE 47 CO 0.88 -0.01 0.00 0.29 0.00 0.00 0.00 174.94 176.11 1we9 n LYS 48 N -0.77 0.00 -3.32 2.79 4.76 -1.26 -4.90 118.16 115.45 1we9 n LYS 48 Ca 0.09 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.27 1we9 n LYS 48 Cb 0.46 -0.37 -0.08 0.00 -1.84 0.00 0.00 35.03 33.21 1we9 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1we9 n GLN 49 N -3.41 1.70 -2.33 1.97 10.64 -1.26 -4.95 117.38 119.74 1we9 n GLN 49 Ca 0.00 -4.01 -0.35 0.00 -1.83 0.00 0.00 57.00 50.81 1we9 n GLN 49 Cb 0.05 -1.78 -0.01 0.00 -0.86 0.00 0.00 30.24 27.64 1we9 n GLN 49 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 1we9 s TYR 50 N -1.88 2.78 -0.58 2.61 5.04 -1.26 -4.87 117.35 119.19 1we9 s TYR 50 Ca 0.38 1.55 -0.16 0.00 -2.44 0.00 0.00 57.07 56.39 1we9 s TYR 50 Cb 0.16 -3.25 0.13 0.00 0.35 0.00 0.00 41.96 39.35 1we9 s TYR 50 CO -0.06 -1.39 0.56 0.21 -1.34 0.00 0.00 175.55 173.53 1we9 s LYS 51 N -3.18 3.06 0.87 4.97 2.20 -1.26 -4.37 119.74 122.03 1we9 s LYS 51 Ca 0.70 -1.71 -0.14 0.00 -0.36 0.00 0.00 55.97 54.45 1we9 s LYS 51 Cb -0.23 -4.31 -0.01 0.00 -1.51 0.00 0.00 37.83 31.77 1we9 s LYS 51 CO 0.26 -1.37 0.31 0.00 -0.36 0.00 0.00 175.35 174.20 1we9 h PRO 53 N -1.09 0.00 -0.69 0.00 0.13 -1.96 -1.75 132.00 126.64 1we9 h PRO 53 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1we9 h PRO 53 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1we9 h PRO 53 CO 0.36 0.01 0.22 1.03 -0.23 0.00 0.00 178.00 179.39 1we9 h SER 54 N 0.00 1.00 0.00 1.44 0.87 -2.02 -2.98 113.55 111.87 1we9 h SER 54 Ca -0.00 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.27 1we9 h SER 54 Cb 0.49 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1we9 h SER 54 CO 0.00 0.94 -0.87 0.00 -0.53 0.00 0.00 176.83 176.37 1we9 n SER 56 N -4.53 0.21 -0.34 0.00 2.88 -0.67 0.42 113.62 111.58 1we9 n SER 56 Ca -0.17 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.55 1we9 n SER 56 Cb 0.43 -0.56 0.11 0.00 -0.75 0.00 0.00 64.21 63.44 1we9 n SER 56 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1we9 h ASN 57 N 0.00 -1.00 -3.73 -3.46 -0.73 -1.71 -3.40 115.58 101.56 1we9 h ASN 57 Ca 0.66 0.29 -0.47 0.00 1.87 0.00 0.00 56.30 58.64 1we9 h ASN 57 Cb 1.95 0.62 0.20 0.00 0.27 0.00 0.00 38.32 41.36 1we9 h ASN 57 CO -0.46 -0.31 0.11 -1.59 -0.37 0.00 0.00 177.43 174.82 1we9 s LYS 58 N -6.19 0.00 -0.23 6.67 -2.85 0.17 -5.06 119.74 112.25 1we9 s LYS 58 Ca -0.15 1.13 -0.18 0.00 -1.00 0.00 0.00 55.97 55.78 1we9 s LYS 58 Cb 0.25 -1.64 0.07 0.00 -2.06 0.00 0.00 37.83 34.44 1we9 s LYS 58 CO 0.76 -3.19 0.60 0.45 0.10 0.00 0.00 175.35 174.07 1we9 s SER 59 N -2.64 -0.70 0.00 0.03 0.15 -1.26 -5.02 113.70 104.26 1we9 s SER 59 Ca 0.67 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1we9 s SER 59 Cb -0.24 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1we9 s SER 59 CO 0.61 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.45 1we9 n GLY 60 N 3.45 -0.11 0.00 9.45 0.00 -1.26 -4.89 105.19 111.84 1we9 n GLY 60 Ca -0.17 0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.92 1we9 n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1we9 n PRO 61 N 0.00 0.49 -0.96 1.61 -0.04 -1.26 -4.88 135.00 129.96 1we9 n PRO 61 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1we9 n PRO 61 Cb 0.00 -1.20 0.03 0.00 -0.04 0.00 0.00 33.50 32.28 1we9 n PRO 61 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1we9 n SER 62 N -0.70 -4.60 -3.95 3.54 3.41 -1.26 -4.96 113.62 105.10 1we9 n SER 62 Ca 0.05 0.30 -0.30 0.00 -0.26 0.00 0.00 58.87 58.67 1we9 n SER 62 Cb 0.02 -0.70 -0.16 0.00 -0.26 0.00 0.00 64.21 63.11 1we9 n SER 62 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1we9 s SER 63 N -0.88 3.20 0.00 4.04 0.01 -1.26 -5.19 113.70 113.61 1we9 s SER 63 Ca 0.40 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1we9 s SER 63 Cb -0.26 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 64.87 1we9 s SER 63 CO 0.68 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.77