#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs1 n GLU 2 N 0.00 -1.34 0.00 3.17 1.02 -1.26 -4.74 120.64 117.50 2fs1 n GLU 2 Ca 0.00 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 2fs1 n GLU 2 Cb 0.00 -4.97 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 2fs1 n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fs1 n ALA 3 N 1.17 0.00 -2.71 0.62 0.00 -1.26 -5.06 120.51 113.27 2fs1 n ALA 3 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 2fs1 n ALA 3 Cb 0.48 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.00 2fs1 n ALA 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2fs1 n VAL 4 N 0.00 0.60 -0.05 0.00 0.31 -1.26 -4.93 118.33 113.00 2fs1 n VAL 4 Ca 0.00 -1.86 0.24 0.00 -0.01 0.00 0.00 64.34 62.71 2fs1 n VAL 4 Cb 0.00 1.12 0.72 0.00 -0.91 0.00 0.00 33.84 34.77 2fs1 n VAL 4 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2fs1 h ASP 5 N 1.71 0.00 -0.48 4.52 1.82 -1.99 0.19 116.42 122.19 2fs1 h ASP 5 Ca -0.30 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.35 2fs1 h ASP 5 Cb 1.33 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.31 2fs1 h ASP 5 CO -0.00 0.00 0.32 0.00 -1.61 0.00 0.00 179.24 177.95 2fs1 h ALA 6 N 1.54 1.67 -0.03 -0.78 0.00 -1.98 0.55 119.26 120.22 2fs1 h ALA 6 Ca 0.31 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2fs1 h ALA 6 Cb 1.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2fs1 h ALA 6 CO -0.00 0.31 -0.20 -0.91 0.00 0.00 0.00 179.25 178.45 2fs1 h ASN 7 N 0.64 0.22 0.14 0.00 4.21 -1.05 -2.75 115.58 117.01 2fs1 h ASN 7 Ca 0.18 -0.69 -0.07 0.00 1.21 0.00 0.00 56.30 56.93 2fs1 h ASN 7 Cb -0.06 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 2fs1 h ASN 7 CO -0.04 0.88 -0.25 -1.28 -1.29 0.00 0.00 177.43 175.45 2fs1 h SER 8 N -0.41 0.20 -0.38 5.81 0.87 -1.37 -2.82 113.55 115.44 2fs1 h SER 8 Ca -0.02 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2fs1 h SER 8 Cb 0.88 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2fs1 h SER 8 CO 0.04 0.46 0.13 0.25 -0.53 0.00 0.00 176.83 177.18 2fs1 h LEU 9 N 0.18 0.55 -1.96 2.23 6.46 0.08 -2.39 115.31 120.45 2fs1 h LEU 9 Ca 0.03 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2fs1 h LEU 9 Cb 0.55 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 2fs1 h LEU 9 CO 0.04 0.59 0.00 0.00 -0.62 0.00 0.00 178.44 178.45 2fs1 h ALA 10 N 0.98 1.00 0.22 1.25 0.00 -1.24 -2.77 119.26 118.70 2fs1 h ALA 10 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 2fs1 h ALA 10 Cb 0.23 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.06 2fs1 h ALA 10 CO -0.01 0.00 -1.29 0.37 0.00 0.00 0.00 179.25 178.33 2fs1 h GLN 11 N 0.00 0.47 -0.97 0.00 4.15 -1.29 0.35 115.11 117.81 2fs1 h GLN 11 Ca 0.00 -0.80 0.18 0.00 0.77 0.00 0.00 58.65 58.80 2fs1 h GLN 11 Cb 0.27 0.30 -0.09 0.00 0.21 0.00 0.00 27.48 28.17 2fs1 h GLN 11 CO 0.00 1.38 0.61 0.00 -1.93 0.00 0.00 178.83 178.89 2fs1 h ALA 12 N 0.13 1.81 0.00 3.38 0.00 -1.19 1.55 119.26 124.93 2fs1 h ALA 12 Ca -0.23 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2fs1 h ALA 12 Cb 2.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 2fs1 h ALA 12 CO 0.24 -0.12 -0.82 1.57 0.00 0.00 0.00 179.25 180.11 2fs1 h LYS 13 N 0.70 0.00 -1.01 0.00 2.10 -1.61 -0.16 116.57 116.60 2fs1 h LYS 13 Ca 0.53 0.00 0.25 0.00 -2.00 0.00 0.00 60.65 59.42 2fs1 h LYS 13 Cb 0.89 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.13 2fs1 h LYS 13 CO -0.29 0.77 0.65 0.93 -2.00 0.00 0.00 179.45 179.51 2fs1 h GLU 14 N -1.00 0.42 0.12 0.07 4.39 0.03 1.34 114.58 119.95 2fs1 h GLU 14 Ca -0.20 -0.03 -0.30 0.00 0.34 0.00 0.00 59.36 59.17 2fs1 h GLU 14 Cb 1.04 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2fs1 h GLU 14 CO -0.12 0.28 -1.47 0.00 -1.16 0.00 0.00 179.01 176.54 2fs1 h ALA 15 N 1.62 0.23 0.00 3.43 0.00 0.21 -3.21 119.26 121.55 2fs1 h ALA 15 Ca 0.57 -1.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2fs1 h ALA 15 Cb 1.37 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2fs1 h ALA 15 CO -0.28 1.10 -0.30 0.00 0.00 0.00 0.00 179.25 179.77 2fs1 h ALA 16 N 0.51 1.13 -0.00 0.00 0.00 0.17 -2.76 119.26 118.30 2fs1 h ALA 16 Ca -0.22 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 2fs1 h ALA 16 Cb 2.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2fs1 h ALA 16 CO 0.17 0.37 -0.87 0.97 0.00 0.00 0.00 179.25 179.89 2fs1 h ILE 17 N 0.00 1.46 -0.62 0.00 2.10 0.14 -2.83 117.51 117.77 2fs1 h ILE 17 Ca -0.00 -2.52 0.05 0.00 1.08 0.00 0.00 64.86 63.46 2fs1 h ILE 17 Cb 0.71 2.42 -0.04 0.00 -1.09 0.00 0.00 36.82 38.82 2fs1 h ILE 17 CO 0.04 0.74 0.41 0.50 -1.08 0.00 0.00 178.15 178.76 2fs1 h LYS 18 N 0.15 0.64 -0.15 2.19 3.11 -1.49 0.07 116.57 121.09 2fs1 h LYS 18 Ca -0.05 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.53 2fs1 h LYS 18 Cb 1.50 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 32.59 2fs1 h LYS 18 CO 0.14 0.42 -0.78 0.93 -2.81 0.00 0.00 179.45 177.35 2fs1 h GLU 19 N 0.66 0.78 -0.23 1.90 3.07 -1.52 0.78 114.58 120.02 2fs1 h GLU 19 Ca 0.26 -0.64 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 2fs1 h GLU 19 Cb 0.19 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2fs1 h GLU 19 CO -0.07 1.24 0.09 -0.07 -1.40 0.00 0.00 179.01 178.80 2fs1 h LEU 20 N 0.53 0.28 0.19 1.33 4.07 -0.95 1.02 115.31 121.78 2fs1 h LEU 20 Ca -0.05 -0.02 -0.32 0.00 0.08 0.00 0.00 57.88 57.57 2fs1 h LEU 20 Cb 1.41 -0.07 0.02 0.00 1.08 0.00 0.00 40.66 43.09 2fs1 h LEU 20 CO 0.16 0.27 -1.49 0.50 -1.08 0.00 0.00 178.44 176.80 2fs1 h LYS 21 N 0.32 0.41 -0.00 1.13 3.64 -0.91 -1.23 116.57 119.93 2fs1 h LYS 21 Ca 0.08 -0.70 -0.13 0.00 -1.27 0.00 0.00 60.65 58.64 2fs1 h LYS 21 Cb 0.08 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2fs1 h LYS 21 CO -0.01 1.32 -0.60 0.37 -2.27 0.00 0.00 179.45 178.26 2fs1 h GLN 22 N 0.11 0.00 0.22 1.90 -0.00 -0.17 -3.18 115.11 113.99 2fs1 h GLN 22 Ca -0.24 -0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.11 2fs1 h GLN 22 Cb 2.09 0.00 0.03 0.00 0.00 0.00 0.00 27.48 29.60 2fs1 h GLN 22 CO 0.22 0.60 -1.33 1.88 0.00 0.00 0.00 178.83 180.20 2fs1 h TYR 23 N 0.00 0.85 0.00 3.99 0.05 0.99 -3.49 116.97 119.36 2fs1 h TYR 23 Ca -0.01 -0.62 0.00 0.00 0.05 0.00 0.00 58.73 58.16 2fs1 h TYR 23 Cb 1.06 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.77 2fs1 h TYR 23 CO 0.00 1.51 0.00 0.41 -1.05 0.00 0.00 178.16 179.03 2fs1 n GLY 24 N 1.72 0.71 3.14 3.88 0.00 -0.52 -5.07 105.19 109.05 2fs1 n GLY 24 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.07 0.00 -2.24 -0.61 5.41 -0.89 -4.93 119.36 115.02 2fs1 n ILE 25 Ca 0.00 -0.16 -0.32 0.00 1.00 0.00 0.00 62.75 63.27 2fs1 n ILE 25 Cb 0.00 -0.46 -0.02 0.00 -0.71 0.00 0.00 39.64 38.45 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 -1.73 2.00 0.56 7.39 0.00 -1.26 -4.83 107.32 109.44 2fs1 s GLY 26 Ca 0.45 0.17 0.32 0.00 0.00 0.00 0.00 44.72 45.66 2fs1 s GLY 26 CO 0.54 0.45 2.13 -0.55 0.00 0.00 0.00 173.10 175.67 2fs1 h ASP 27 N 0.62 0.00 -0.75 1.64 5.19 -1.94 -2.90 116.42 118.27 2fs1 h ASP 27 Ca -0.46 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.11 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 0.61 0.07 -0.07 0.22 -3.12 0.00 0.00 179.24 176.95 2fs1 h TYR 28 N 0.00 -0.19 0.00 4.55 3.20 -1.99 0.37 116.97 122.90 2fs1 h TYR 28 Ca -0.00 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2fs1 h TYR 28 Cb 0.28 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2fs1 h TYR 28 CO 0.00 -0.28 -0.21 1.88 -1.64 0.00 0.00 178.16 177.91 2fs1 h TYR 29 N 0.06 0.00 -0.05 -3.82 0.05 -1.91 0.41 116.97 111.71 2fs1 h TYR 29 Ca 0.39 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.99 2fs1 h TYR 29 Cb 0.67 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 2fs1 h TYR 29 CO -0.49 0.21 -0.75 -0.84 -1.05 0.00 0.00 178.16 175.23 2fs1 h ILE 30 N 0.00 1.42 0.03 -2.88 -0.00 -0.47 -3.02 117.51 112.59 2fs1 h ILE 30 Ca -0.00 -2.26 -0.07 0.00 -0.00 0.00 0.00 64.86 62.52 2fs1 h ILE 30 Cb 0.89 2.21 -0.00 0.00 -0.00 0.00 0.00 36.82 39.92 2fs1 h ILE 30 CO 0.03 0.67 -0.37 0.11 -0.00 0.00 0.00 178.15 178.59 2fs1 h LYS 31 N 0.19 0.06 0.00 0.16 6.56 -0.73 -3.26 116.57 119.55 2fs1 h LYS 31 Ca -0.03 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 2fs1 h LYS 31 Cb 1.33 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.03 2fs1 h LYS 31 CO 0.12 1.05 0.41 1.37 -2.06 0.00 0.00 179.45 180.34 2fs1 h LEU 32 N -0.86 0.00 0.08 2.94 -0.00 -0.25 0.29 115.31 117.51 2fs1 h LEU 32 Ca -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2fs1 h LEU 32 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2fs1 h LEU 32 CO 0.00 0.00 -0.04 0.40 -0.00 0.00 0.00 178.44 178.80 2fs1 h ILE 33 N 0.00 0.94 -0.26 0.15 2.04 -1.57 -3.26 117.51 115.55 2fs1 h ILE 33 Ca 0.00 -1.45 0.07 0.00 1.00 0.00 0.00 64.86 64.48 2fs1 h ILE 33 Cb 0.81 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2fs1 h ILE 33 CO 0.00 0.28 0.45 -1.13 0.00 0.00 0.00 178.15 177.76 2fs1 h ASN 34 N -0.93 0.00 1.70 1.72 -0.73 -0.99 0.31 115.58 116.67 2fs1 h ASN 34 Ca -0.01 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 2fs1 h ASN 34 Cb 0.55 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 2fs1 h ASN 34 CO 0.02 0.00 -0.30 -1.13 -0.37 0.00 0.00 177.43 175.65 2fs1 h ASN 35 N 0.00 0.00 -2.50 1.15 -1.24 -1.55 -3.46 115.58 107.98 2fs1 h ASN 35 Ca 0.12 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.54 2fs1 h ASN 35 Cb 1.03 0.00 0.08 0.00 0.73 0.00 0.00 38.32 40.16 2fs1 h ASN 35 CO -0.00 0.12 0.59 0.00 -1.29 0.00 0.00 177.43 176.84 2fs1 n ALA 36 N -2.15 0.84 -1.54 1.57 0.00 0.11 -4.89 120.51 114.45 2fs1 n ALA 36 Ca 0.02 0.43 -0.35 0.00 0.00 0.00 0.00 53.44 53.54 2fs1 n ALA 36 Cb 0.58 -2.25 0.06 0.00 0.00 0.00 0.00 19.45 17.85 2fs1 n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2fs1 n LYS 37 N 2.19 2.79 0.00 0.00 4.01 -1.26 -4.78 118.16 121.11 2fs1 n LYS 37 Ca 0.13 -3.44 0.00 0.00 -0.51 0.00 0.00 58.31 54.49 2fs1 n LYS 37 Cb 0.30 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.53 2fs1 n LYS 37 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2fs1 n THR 38 N -0.81 0.00 -0.28 -0.18 -2.24 -1.26 -5.05 114.28 104.46 2fs1 n THR 38 Ca 0.59 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.46 2fs1 n THR 38 Cb 0.58 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 69.04 2fs1 n THR 38 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2fs1 h VAL 39 N 0.00 0.34 -1.08 2.28 3.04 -1.90 0.32 116.25 119.25 2fs1 h VAL 39 Ca 0.00 -0.06 0.29 0.00 -1.01 0.00 0.00 66.70 65.92 2fs1 h VAL 39 Cb 0.00 0.15 -0.09 0.00 -2.01 0.00 0.00 31.29 29.35 2fs1 h VAL 39 CO 0.00 0.03 0.71 -0.33 -1.01 0.00 0.00 177.57 176.97 2fs1 h GLU 40 N 0.17 0.29 0.03 4.17 3.07 -1.97 0.36 114.58 120.71 2fs1 h GLU 40 Ca 0.48 -0.02 -0.28 0.00 -0.50 0.00 0.00 59.36 59.04 2fs1 h GLU 40 Cb 0.91 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.72 2fs1 h GLU 40 CO -0.65 0.19 -1.54 0.78 -1.40 0.00 0.00 179.01 176.40 2fs1 h GLY 41 N 0.30 0.08 0.52 -3.84 0.00 -0.86 -3.23 103.07 96.05 2fs1 h GLY 41 Ca 0.60 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.77 2fs1 h GLY 41 CO -0.25 0.18 -0.03 -2.08 0.00 0.00 0.00 176.54 174.36 2fs1 h VAL 42 N 0.02 0.77 0.33 4.60 2.07 0.12 1.09 116.25 125.24 2fs1 h VAL 42 Ca -0.23 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2fs1 h VAL 42 Cb 1.96 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2fs1 h VAL 42 CO 0.11 0.01 -0.16 1.05 0.02 0.00 0.00 177.57 178.60 2fs1 h GLU 43 N 0.04 -0.43 0.00 1.57 4.11 -1.45 -3.07 114.58 115.35 2fs1 h GLU 43 Ca 0.13 0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.58 2fs1 h GLU 43 Cb 0.18 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2fs1 h GLU 43 CO -0.25 -0.10 -0.01 1.03 0.07 0.00 0.00 179.01 179.75 2fs1 h SER 44 N -0.91 0.00 0.59 3.06 0.87 -1.55 -2.15 113.55 113.45 2fs1 h SER 44 Ca -0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2fs1 h SER 44 Cb 0.52 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2fs1 h SER 44 CO 0.07 0.01 -0.49 -0.07 -0.53 0.00 0.00 176.83 175.83 2fs1 h LEU 45 N 0.00 -1.31 -0.30 2.23 -0.00 0.13 1.05 115.31 117.11 2fs1 h LEU 45 Ca -0.00 0.10 -0.11 0.00 -0.00 0.00 0.00 57.88 57.87 2fs1 h LEU 45 Cb 0.06 0.42 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 2fs1 h LEU 45 CO 0.00 -0.68 -0.24 0.50 -0.00 0.00 0.00 178.44 178.02 2fs1 h LYS 46 N -1.05 0.70 0.00 1.13 3.11 -1.54 -1.42 116.57 117.50 2fs1 h LYS 46 Ca -0.07 -0.35 -0.00 0.00 -2.81 0.00 0.00 60.65 57.42 2fs1 h LYS 46 Cb 0.89 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.12 2fs1 h LYS 46 CO -0.01 0.96 -0.02 -0.97 -2.81 0.00 0.00 179.45 176.60 2fs1 h ASN 47 N 0.45 0.00 0.46 4.20 -0.73 -1.27 0.10 115.58 118.79 2fs1 h ASN 47 Ca 0.06 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.96 2fs1 h ASN 47 Cb 0.80 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.40 2fs1 h ASN 47 CO 0.06 0.02 -1.17 -0.08 -0.37 0.00 0.00 177.43 175.90 2fs1 h GLU 48 N 0.00 0.37 0.00 6.67 4.81 0.15 -1.52 114.58 125.06 2fs1 h GLU 48 Ca -0.00 -0.53 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 2fs1 h GLU 48 Cb 0.04 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2fs1 h GLU 48 CO 0.00 1.22 -0.29 -0.84 -0.73 0.00 0.00 179.01 178.37 2fs1 h ILE 49 N 0.15 1.19 0.06 2.32 3.07 -0.04 -2.33 117.51 121.93 2fs1 h ILE 49 Ca -0.13 -1.00 -0.25 0.00 1.55 0.00 0.00 64.86 65.03 2fs1 h ILE 49 Cb 1.86 1.54 -0.01 0.00 -0.27 0.00 0.00 36.82 39.93 2fs1 h ILE 49 CO 0.20 0.28 -1.19 -0.07 -1.05 0.00 0.00 178.15 176.33 2fs1 h LEU 50 N 0.00 0.21 -2.80 0.16 3.38 -0.99 -2.75 115.31 112.53 2fs1 h LEU 50 Ca -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2fs1 h LEU 50 Cb 0.52 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2fs1 h LEU 50 CO 0.04 1.19 -0.00 0.50 0.09 0.00 0.00 178.44 180.26 2fs1 h LYS 51 N 0.04 0.00 -1.55 1.13 3.11 -0.71 -3.16 116.57 115.43 2fs1 h LYS 51 Ca -0.10 0.00 -0.45 0.00 -2.81 0.00 0.00 60.65 57.29 2fs1 h LYS 51 Cb 1.89 0.00 -0.34 0.00 -1.00 0.00 0.00 32.23 32.78 2fs1 h LYS 51 CO 0.16 0.00 -1.01 0.00 -2.81 0.00 0.00 179.45 175.80 2fs1 n ALA 52 N -2.15 1.45 -0.09 5.00 0.00 -1.15 -4.96 120.51 118.62 2fs1 n ALA 52 Ca -0.03 -2.96 -0.17 0.00 0.00 0.00 0.00 53.44 50.28 2fs1 n ALA 52 Cb 0.08 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 2fs1 n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2fs1 h LEU 53 N 3.41 0.00-10.27 0.00 3.38 -1.45 -3.47 115.31 106.90 2fs1 h LEU 53 Ca 0.04 -0.39 -0.50 0.00 0.09 0.00 0.00 57.88 57.12 2fs1 h LEU 53 Cb 0.96 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.89 2fs1 h LEU 53 CO 0.42 1.28 0.21 -2.84 0.09 0.00 0.00 178.44 177.60 2fs1 s PRO 54 N -2.31 0.99 -0.03 1.13 0.02 -1.26 -4.99 135.00 128.56 2fs1 s PRO 54 Ca -0.24 1.26 0.01 0.00 0.02 0.00 0.00 61.00 62.05 2fs1 s PRO 54 Cb 0.04 -1.75 0.04 0.00 0.02 0.00 0.00 34.50 32.86 2fs1 s PRO 54 CO 0.49 -2.55 0.86 2.41 -0.33 0.00 0.00 177.00 177.88 2fs1 n THR 55 N -4.15 0.00 -1.01 0.99 -1.04 -1.26 -5.18 114.28 102.62 2fs1 n THR 55 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2fs1 n THR 55 Cb 0.53 0.45 0.00 0.00 -1.82 0.00 0.00 70.33 69.49 2fs1 n THR 55 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59