#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs1 s GLU 2 N 0.00 2.18 -0.28 3.17 2.02 -1.26 -5.18 118.70 119.36 2fs1 s GLU 2 Ca 0.00 -1.41 -0.22 0.00 0.02 0.00 0.00 54.97 53.35 2fs1 s GLU 2 Cb 0.00 0.60 0.09 0.00 0.10 0.00 0.00 34.13 34.92 2fs1 s GLU 2 CO 0.00 -1.02 0.79 0.00 0.02 0.00 0.00 175.26 175.05 2fs1 s ALA 3 N -2.19 -1.88 -0.36 5.21 0.00 -1.26 -5.07 121.76 116.22 2fs1 s ALA 3 Ca 0.16 2.11 0.12 0.00 0.00 0.00 0.00 51.96 54.35 2fs1 s ALA 3 Cb -0.05 -1.33 0.41 0.00 0.00 0.00 0.00 23.12 22.15 2fs1 s ALA 3 CO 0.11 -0.33 1.42 1.33 0.00 0.00 0.00 175.76 178.29 2fs1 n VAL 4 N 3.06 0.09 -0.10 0.00 0.24 -1.26 -4.97 118.33 115.39 2fs1 n VAL 4 Ca -0.15 -1.38 -0.03 0.00 -2.04 0.00 0.00 64.34 60.74 2fs1 n VAL 4 Cb 0.56 1.00 0.20 0.00 -1.47 0.00 0.00 33.84 34.14 2fs1 n VAL 4 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2fs1 h ASP 5 N 1.60 0.72 0.28 -1.34 2.03 -2.01 -2.41 116.42 115.28 2fs1 h ASP 5 Ca -0.35 -0.14 -0.08 0.00 -0.73 0.00 0.00 57.03 55.73 2fs1 h ASP 5 Cb 1.29 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 39.59 2fs1 h ASP 5 CO -0.09 0.74 -0.35 0.00 -1.03 0.00 0.00 179.24 178.50 2fs1 h ALA 6 N 1.35 1.31 -0.29 4.15 0.00 -1.99 -2.70 119.26 121.09 2fs1 h ALA 6 Ca 0.16 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2fs1 h ALA 6 Cb 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2fs1 h ALA 6 CO 0.01 0.49 0.14 -0.91 0.00 0.00 0.00 179.25 178.98 2fs1 h ASN 7 N 0.10 0.21 0.20 0.00 4.21 -1.83 0.35 115.58 118.81 2fs1 h ASN 7 Ca 0.01 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.44 2fs1 h ASN 7 Cb 0.67 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.84 2fs1 h ASN 7 CO 0.05 0.16 -0.35 -1.28 -1.29 0.00 0.00 177.43 174.71 2fs1 h SER 8 N 0.30 0.23 -0.23 5.81 0.87 -1.52 -2.81 113.55 116.19 2fs1 h SER 8 Ca 0.12 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 2fs1 h SER 8 Cb 0.04 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2fs1 h SER 8 CO -0.08 0.57 -0.12 0.25 -0.53 0.00 0.00 176.83 176.92 2fs1 h LEU 9 N 0.19 0.50 -1.73 2.23 6.46 -1.02 -2.87 115.31 119.07 2fs1 h LEU 9 Ca 0.02 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2fs1 h LEU 9 Cb 0.72 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2fs1 h LEU 9 CO 0.05 0.80 0.00 0.00 -0.62 0.00 0.00 178.44 178.68 2fs1 h ALA 10 N 0.71 1.00 0.22 1.25 0.00 -0.19 -2.63 119.26 119.62 2fs1 h ALA 10 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 2fs1 h ALA 10 Cb 0.62 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.44 2fs1 h ALA 10 CO 0.04 0.00 -1.47 0.37 0.00 0.00 0.00 179.25 178.18 2fs1 h GLN 11 N 0.00 0.47 -0.94 0.00 4.15 -1.29 0.21 115.11 117.71 2fs1 h GLN 11 Ca 0.00 -0.81 0.18 0.00 0.77 0.00 0.00 58.65 58.80 2fs1 h GLN 11 Cb 0.21 0.30 -0.08 0.00 0.21 0.00 0.00 27.48 28.12 2fs1 h GLN 11 CO 0.00 1.39 0.60 0.00 -1.93 0.00 0.00 178.83 178.89 2fs1 h ALA 12 N 0.12 1.92 0.00 3.38 0.00 -1.33 1.62 119.26 124.97 2fs1 h ALA 12 Ca -0.27 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2fs1 h ALA 12 Cb 2.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 2fs1 h ALA 12 CO 0.23 -0.23 -0.79 1.57 0.00 0.00 0.00 179.25 180.03 2fs1 h LYS 13 N 0.61 0.00 -1.02 0.00 2.10 -1.61 0.27 116.57 116.92 2fs1 h LYS 13 Ca 0.51 0.00 0.25 0.00 -2.00 0.00 0.00 60.65 59.41 2fs1 h LYS 13 Cb 0.97 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.21 2fs1 h LYS 13 CO -0.26 0.70 0.66 0.93 -2.00 0.00 0.00 179.45 179.49 2fs1 h GLU 14 N -1.00 0.38 0.18 0.07 3.07 -0.21 1.12 114.58 118.18 2fs1 h GLU 14 Ca -0.19 -0.02 -0.33 0.00 -0.50 0.00 0.00 59.36 58.32 2fs1 h GLU 14 Cb 0.98 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.82 2fs1 h GLU 14 CO -0.11 0.25 -1.57 0.00 -1.40 0.00 0.00 179.01 176.18 2fs1 h ALA 15 N 1.61 0.10 0.00 3.43 0.00 0.22 -3.19 119.26 121.43 2fs1 h ALA 15 Ca 0.56 -1.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2fs1 h ALA 15 Cb 1.45 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2fs1 h ALA 15 CO -0.26 0.96 -0.22 0.00 0.00 0.00 0.00 179.25 179.74 2fs1 h ALA 16 N 0.28 1.43 -0.00 0.00 0.00 0.19 -2.18 119.26 118.98 2fs1 h ALA 16 Ca -0.27 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2fs1 h ALA 16 Cb 2.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2fs1 h ALA 16 CO 0.20 0.27 -0.85 0.97 0.00 0.00 0.00 179.25 179.84 2fs1 h ILE 17 N 0.00 1.49 -0.08 0.00 2.10 0.97 -2.68 117.51 119.31 2fs1 h ILE 17 Ca -0.00 -2.56 0.02 0.00 1.08 0.00 0.00 64.86 63.40 2fs1 h ILE 17 Cb 0.44 2.42 -0.00 0.00 -1.09 0.00 0.00 36.82 38.59 2fs1 h ILE 17 CO 0.03 0.75 0.06 0.11 -1.08 0.00 0.00 178.15 178.02 2fs1 h LYS 18 N 0.11 0.00 0.22 2.19 1.57 -1.37 0.89 116.57 120.19 2fs1 h LYS 18 Ca -0.04 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.40 2fs1 h LYS 18 Cb 1.47 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.80 2fs1 h LYS 18 CO 0.13 0.00 -1.60 0.93 -0.57 0.00 0.00 179.45 178.34 2fs1 h GLU 19 N 0.00 0.47 0.00 3.15 3.07 -1.47 -1.77 114.58 118.03 2fs1 h GLU 19 Ca 0.04 -0.80 -0.04 0.00 -0.50 0.00 0.00 59.36 58.06 2fs1 h GLU 19 Cb 0.16 0.30 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2fs1 h GLU 19 CO -0.00 1.38 -0.17 1.25 -1.40 0.00 0.00 179.01 180.06 2fs1 h LEU 20 N 0.13 0.00 0.04 1.33 5.85 -0.89 0.47 115.31 122.24 2fs1 h LEU 20 Ca -0.29 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.14 2fs1 h LEU 20 Cb 2.14 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.13 2fs1 h LEU 20 CO 0.23 0.17 -1.59 0.07 -0.34 0.00 0.00 178.44 176.99 2fs1 h LYS 21 N 0.00 0.09 0.00 1.25 2.10 -0.94 -1.91 116.57 117.16 2fs1 h LYS 21 Ca -0.00 -0.16 -0.14 0.00 -2.00 0.00 0.00 60.65 58.35 2fs1 h LYS 21 Cb 0.32 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.69 2fs1 h LYS 21 CO 0.02 0.81 -0.65 -0.56 -2.00 0.00 0.00 179.45 177.08 2fs1 h GLN 22 N 0.03 0.00 0.20 0.07 3.07 -0.85 -3.26 115.11 114.36 2fs1 h GLN 22 Ca -0.25 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.16 2fs1 h GLN 22 Cb 1.98 0.00 0.02 0.00 0.08 0.00 0.00 27.48 29.56 2fs1 h GLN 22 CO 0.11 0.65 -1.54 1.88 0.09 0.00 0.00 178.83 180.02 2fs1 h TYR 23 N 0.00 0.75 0.00 0.06 0.05 -0.19 -3.49 116.97 114.16 2fs1 h TYR 23 Ca -0.01 -0.55 0.00 0.00 0.05 0.00 0.00 58.73 58.22 2fs1 h TYR 23 Cb 1.36 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.07 2fs1 h TYR 23 CO 0.00 1.53 0.00 0.41 -1.05 0.00 0.00 178.16 179.05 2fs1 n GLY 24 N 1.72 0.79 3.20 3.88 0.00 -0.97 -5.08 105.19 108.73 2fs1 n GLY 24 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2fs1 n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fs1 n ILE 25 N -0.89 0.00 -2.33 -0.61 5.41 -0.76 -4.96 119.36 115.22 2fs1 n ILE 25 Ca 0.00 -0.21 -0.31 0.00 1.00 0.00 0.00 62.75 63.24 2fs1 n ILE 25 Cb 0.00 -0.62 -0.01 0.00 -0.71 0.00 0.00 39.64 38.29 2fs1 n ILE 25 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2fs1 s GLY 26 N -2.01 1.79 0.50 7.39 0.00 -1.26 -4.81 107.32 108.92 2fs1 s GLY 26 Ca 0.52 -0.11 0.25 0.00 0.00 0.00 0.00 44.72 45.38 2fs1 s GLY 26 CO 0.56 0.13 2.03 -0.55 0.00 0.00 0.00 173.10 175.26 2fs1 h ASP 27 N 0.41 0.00 -0.80 1.64 5.19 -1.93 -2.90 116.42 118.02 2fs1 h ASP 27 Ca -0.46 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.14 2fs1 h ASP 27 Cb 1.19 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.56 2fs1 h ASP 27 CO 0.62 0.15 0.02 0.22 -3.12 0.00 0.00 179.24 177.13 2fs1 h TYR 28 N 0.00 -0.04 0.00 4.55 5.03 -1.99 0.42 116.97 124.94 2fs1 h TYR 28 Ca -0.00 0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 2fs1 h TYR 28 Cb 0.39 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 2fs1 h TYR 28 CO 0.00 -0.27 -0.22 1.88 -1.32 0.00 0.00 178.16 178.23 2fs1 h TYR 29 N 0.10 0.00 -0.03 -3.82 0.05 -1.91 0.35 116.97 111.70 2fs1 h TYR 29 Ca 0.45 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 59.05 2fs1 h TYR 29 Cb 0.82 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 2fs1 h TYR 29 CO -0.43 0.22 -0.77 -0.84 -1.05 0.00 0.00 178.16 175.29 2fs1 h ILE 30 N 0.00 1.44 0.00 -2.88 -0.00 -0.36 -3.05 117.51 112.65 2fs1 h ILE 30 Ca -0.00 -2.33 -0.01 0.00 -0.00 0.00 0.00 64.86 62.51 2fs1 h ILE 30 Cb 1.00 2.26 -0.00 0.00 -0.00 0.00 0.00 36.82 40.08 2fs1 h ILE 30 CO 0.03 0.69 -0.07 0.50 -0.00 0.00 0.00 178.15 179.30 2fs1 h LYS 31 N 0.16 0.00 -0.00 0.16 1.63 -0.67 -3.26 116.57 114.59 2fs1 h LYS 31 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2fs1 h LYS 31 Cb 1.35 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2fs1 h LYS 31 CO 0.12 0.95 0.45 1.37 -3.45 0.00 0.00 179.45 178.89 2fs1 h LEU 32 N -1.00 0.00 0.17 5.20 -0.00 -0.39 0.03 115.31 119.33 2fs1 h LEU 32 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2fs1 h LEU 32 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 2fs1 h LEU 32 CO -0.01 0.00 -0.08 0.40 -0.00 0.00 0.00 178.44 178.75 2fs1 h ILE 33 N 0.00 0.51 -0.24 0.15 2.04 -1.58 -3.25 117.51 115.13 2fs1 h ILE 33 Ca 0.00 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 64.85 2fs1 h ILE 33 Cb 0.90 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2fs1 h ILE 33 CO -0.00 0.15 0.42 -1.13 0.00 0.00 0.00 178.15 177.58 2fs1 h ASN 34 N -0.98 0.00 0.43 1.72 -1.24 -1.04 0.16 115.58 114.62 2fs1 h ASN 34 Ca -0.02 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.94 2fs1 h ASN 34 Cb 0.41 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2fs1 h ASN 34 CO 0.04 0.00 -0.20 -1.13 -1.29 0.00 0.00 177.43 174.85 2fs1 h ASN 35 N 0.00 0.00 -4.14 1.15 -0.73 -1.50 -3.44 115.58 106.91 2fs1 h ASN 35 Ca 0.12 0.00 -0.55 0.00 1.87 0.00 0.00 56.30 57.73 2fs1 h ASN 35 Cb 0.95 0.00 0.17 0.00 0.27 0.00 0.00 38.32 39.70 2fs1 h ASN 35 CO -0.00 0.20 0.46 0.00 -0.37 0.00 0.00 177.43 177.72 2fs1 s ALA 36 N -4.16 2.21 -0.21 1.57 0.00 0.56 -4.96 121.76 116.77 2fs1 s ALA 36 Ca -0.02 1.11 0.09 0.00 0.00 0.00 0.00 51.96 53.13 2fs1 s ALA 36 Cb 0.13 -3.54 -0.21 0.00 0.00 0.00 0.00 23.12 19.50 2fs1 s ALA 36 CO 0.64 -1.82 -0.01 1.63 0.00 0.00 0.00 175.76 176.20 2fs1 n LYS 37 N -2.34 0.67 0.00 0.00 4.76 -1.26 -4.98 118.16 115.02 2fs1 n LYS 37 Ca 0.15 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 2fs1 n LYS 37 Cb 0.49 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2fs1 n LYS 37 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2fs1 n THR 38 N -3.05 0.00 0.00 -0.18 -2.24 -1.26 -5.10 114.28 102.46 2fs1 n THR 38 Ca -0.38 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2fs1 n THR 38 Cb 1.07 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2fs1 n THR 38 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2fs1 n VAL 39 N 0.00 0.00 -0.32 2.28 3.14 -1.26 -4.64 118.33 117.53 2fs1 n VAL 39 Ca 0.00 0.00 0.30 0.00 -2.96 0.00 0.00 64.34 61.68 2fs1 n VAL 39 Cb 0.00 -0.25 0.66 0.00 -1.06 0.00 0.00 33.84 33.19 2fs1 n VAL 39 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2fs1 h GLU 40 N 0.00 0.14 0.06 1.45 4.81 -1.98 0.32 114.58 119.37 2fs1 h GLU 40 Ca 0.00 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.93 2fs1 h GLU 40 Cb 0.07 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2fs1 h GLU 40 CO 0.00 0.09 -1.57 0.78 -0.73 0.00 0.00 179.01 177.58 2fs1 h GLY 41 N 0.14 0.15 0.61 1.92 0.00 -1.98 -3.22 103.07 100.70 2fs1 h GLY 41 Ca 0.58 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.56 2fs1 h GLY 41 CO -0.13 0.34 0.02 -2.08 0.00 0.00 0.00 176.54 174.69 2fs1 h VAL 42 N 0.04 0.82 0.39 4.60 2.07 -0.67 1.05 116.25 124.55 2fs1 h VAL 42 Ca -0.25 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2fs1 h VAL 42 Cb 1.98 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2fs1 h VAL 42 CO 0.12 0.02 -0.19 1.05 0.02 0.00 0.00 177.57 178.59 2fs1 h GLU 43 N 0.10 -0.51 0.00 1.57 4.11 -1.52 -3.02 114.58 115.31 2fs1 h GLU 43 Ca 0.13 0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.59 2fs1 h GLU 43 Cb 0.16 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2fs1 h GLU 43 CO -0.20 -0.20 -0.01 1.03 0.07 0.00 0.00 179.01 179.70 2fs1 h SER 44 N -0.95 0.00 0.47 3.06 0.87 -1.55 -2.48 113.55 112.97 2fs1 h SER 44 Ca -0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2fs1 h SER 44 Cb 0.54 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2fs1 h SER 44 CO 0.09 0.01 -0.49 -0.07 -0.53 0.00 0.00 176.83 175.83 2fs1 h LEU 45 N 0.00 -1.36 -0.39 2.23 -0.00 0.13 0.84 115.31 116.76 2fs1 h LEU 45 Ca -0.00 0.11 -0.10 0.00 -0.00 0.00 0.00 57.88 57.89 2fs1 h LEU 45 Cb 0.03 0.45 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 2fs1 h LEU 45 CO 0.00 -0.65 -0.14 0.50 -0.00 0.00 0.00 178.44 178.15 2fs1 h LYS 46 N -0.98 0.78 -0.02 1.13 3.11 -1.53 -1.56 116.57 117.51 2fs1 h LYS 46 Ca -0.06 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.47 2fs1 h LYS 46 Cb 0.85 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.05 2fs1 h LYS 46 CO -0.08 0.93 0.01 -0.97 -2.81 0.00 0.00 179.45 176.54 2fs1 h ASN 47 N 0.58 0.00 0.51 4.20 -1.24 -1.25 0.10 115.58 118.48 2fs1 h ASN 47 Ca 0.09 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.84 2fs1 h ASN 47 Cb 0.67 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.73 2fs1 h ASN 47 CO 0.05 0.00 -1.16 -0.33 -1.29 0.00 0.00 177.43 174.70 2fs1 h GLU 48 N 0.00 0.33 0.00 6.67 5.08 0.11 -2.20 114.58 124.58 2fs1 h GLU 48 Ca 0.01 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 2fs1 h GLU 48 Cb 0.04 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2fs1 h GLU 48 CO -0.00 1.20 -0.27 -0.84 -1.00 0.00 0.00 179.01 178.10 2fs1 h ILE 49 N 0.13 1.03 0.05 3.13 3.07 -0.05 -2.22 117.51 122.65 2fs1 h ILE 49 Ca -0.12 -0.98 -0.23 0.00 1.55 0.00 0.00 64.86 65.07 2fs1 h ILE 49 Cb 1.86 1.55 -0.02 0.00 -0.27 0.00 0.00 36.82 39.95 2fs1 h ILE 49 CO 0.20 0.27 -1.08 -0.07 -1.05 0.00 0.00 178.15 176.41 2fs1 h LEU 50 N 0.00 0.18 -2.41 0.16 3.38 -1.02 -2.82 115.31 112.77 2fs1 h LEU 50 Ca -0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2fs1 h LEU 50 Cb 0.53 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2fs1 h LEU 50 CO 0.04 1.13 -0.00 0.50 0.09 0.00 0.00 178.44 180.20 2fs1 h LYS 51 N 0.04 0.00 -1.59 1.13 3.64 -0.76 -3.33 116.57 115.69 2fs1 h LYS 51 Ca -0.06 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.99 2fs1 h LYS 51 Cb 1.82 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 33.38 2fs1 h LYS 51 CO 0.16 0.00 -0.69 0.00 -2.27 0.00 0.00 179.45 176.65 2fs1 s ALA 52 N -3.97 -0.68 0.48 5.00 0.00 -1.13 -5.10 121.76 116.36 2fs1 s ALA 52 Ca -0.03 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 2fs1 s ALA 52 Cb 0.11 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 2fs1 s ALA 52 CO 0.46 -2.13 0.76 -0.51 0.00 0.00 0.00 175.76 174.34 2fs1 s LEU 53 N 0.67 3.62 -1.10 0.00 1.43 -1.07 -4.80 118.68 117.42 2fs1 s LEU 53 Ca 0.29 0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 53.94 2fs1 s LEU 53 Cb -0.00 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 2fs1 s LEU 53 CO -0.10 -0.63 1.89 -2.16 0.23 0.00 0.00 176.35 175.58 2fs1 s PRO 54 N -4.71 2.71 -0.04 1.29 0.04 -1.26 -4.48 135.00 128.55 2fs1 s PRO 54 Ca 0.48 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 60.54 2fs1 s PRO 54 Cb -0.10 -5.22 -0.02 0.00 0.04 0.00 0.00 34.50 29.19 2fs1 s PRO 54 CO 0.43 -3.55 -0.03 0.25 0.04 0.00 0.00 177.00 174.14 2fs1 n THR 55 N 7.65 0.20 0.65 1.26 -2.24 -1.26 -5.24 114.28 115.31 2fs1 n THR 55 Ca 0.43 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 62.21 2fs1 n THR 55 Cb 0.47 -0.63 0.07 0.00 -2.10 0.00 0.00 70.33 68.14 2fs1 n THR 55 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88