#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 0.97 0.00 0.03 -0.58 -1.26 -4.93 120.64 114.87 2fs1 n GLU 2 Ca 0.00 -2.09 0.00 0.00 -0.42 0.00 0.00 57.16 54.65 2fs1 n GLU 2 Cb 0.00 2.50 0.00 0.00 -0.57 0.00 0.00 31.44 33.37 2fs1 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2fs1 n ALA 3 N -0.82 0.00 0.00 0.62 0.00 -1.26 -4.96 120.51 114.09 2fs1 n ALA 3 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2fs1 n ALA 3 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.46 0.00 0.00 0.00 0.31 -1.26 -5.07 118.33 110.85 2fs1 n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2fs1 n VAL 4 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2fs1 n VAL 4 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2fs1 n ASP 5 N -1.30 0.00 -0.18 4.52 5.68 -1.26 -4.97 116.55 119.03 2fs1 n ASP 5 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.33 2fs1 n ASP 5 Cb 0.00 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.30 2fs1 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fs1 h ALA 6 N 0.00 1.61 -0.19 2.12 0.00 -1.98 0.11 119.26 120.92 2fs1 h ALA 6 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2fs1 h ALA 6 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2fs1 h ALA 6 CO 0.00 0.31 0.07 -0.97 0.00 0.00 0.00 179.25 178.66 2fs1 h ASN 7 N 0.84 0.27 0.28 0.00 -1.24 -1.96 0.65 115.58 114.42 2fs1 h ASN 7 Ca 0.29 -0.18 -0.10 0.00 0.71 0.00 0.00 56.30 57.02 2fs1 h ASN 7 Cb 0.09 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 2fs1 h ASN 7 CO -0.08 0.38 -0.41 -1.28 -1.29 0.00 0.00 177.43 174.74 2fs1 h SER 8 N 0.15 0.19 -0.23 1.15 0.87 -1.80 -2.80 113.55 111.08 2fs1 h SER 8 Ca 0.06 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 2fs1 h SER 8 Cb 0.20 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2fs1 h SER 8 CO -0.00 0.59 -0.11 0.25 -0.53 0.00 0.00 176.83 177.02 2fs1 h LEU 9 N 0.16 0.49 -1.82 2.23 6.46 -0.52 -2.87 115.31 119.44 2fs1 h LEU 9 Ca 0.01 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2fs1 h LEU 9 Cb 0.80 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 2fs1 h LEU 9 CO 0.06 0.79 0.00 0.00 -0.62 0.00 0.00 178.44 178.67 2fs1 h ALA 10 N 0.71 1.00 0.23 1.25 0.00 -0.76 -2.72 119.26 118.97 2fs1 h ALA 10 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 2fs1 h ALA 10 Cb 0.61 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.43 2fs1 h ALA 10 CO 0.03 0.00 -1.34 0.37 0.00 0.00 0.00 179.25 178.31 2fs1 h GLN 11 N 0.00 0.49 -0.98 0.00 4.15 -1.29 0.33 115.11 117.80 2fs1 h GLN 11 Ca 0.00 -0.83 0.19 0.00 0.77 0.00 0.00 58.65 58.78 2fs1 h GLN 11 Cb 0.26 0.31 -0.10 0.00 0.21 0.00 0.00 27.48 28.17 2fs1 h GLN 11 CO 0.00 1.40 0.61 0.00 -1.93 0.00 0.00 178.83 178.91 2fs1 h ALA 12 N 0.13 1.79 0.00 3.38 0.00 -1.30 1.50 119.26 124.76 2fs1 h ALA 12 Ca -0.24 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2fs1 h ALA 12 Cb 2.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2fs1 h ALA 12 CO 0.25 -0.13 -0.75 1.57 0.00 0.00 0.00 179.25 180.18 2fs1 h LYS 13 N 0.70 0.00 -1.05 0.00 2.10 -1.61 -0.57 116.57 116.15 2fs1 h LYS 13 Ca 0.55 0.00 0.27 0.00 -2.00 0.00 0.00 60.65 59.47 2fs1 h LYS 13 Cb 0.93 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.17 2fs1 h LYS 13 CO -0.32 0.65 0.68 0.93 -2.00 0.00 0.00 179.45 179.38 2fs1 h GLU 14 N -1.00 0.36 0.11 0.07 5.08 -0.03 1.15 114.58 120.32 2fs1 h GLU 14 Ca -0.17 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 57.87 2fs1 h GLU 14 Cb 0.93 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2fs1 h GLU 14 CO -0.10 0.24 -1.49 0.00 -1.00 0.00 0.00 179.01 176.66 2fs1 h ALA 15 N 1.61 0.29 0.00 3.43 0.00 0.20 -3.20 119.26 121.58 2fs1 h ALA 15 Ca 0.59 -1.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2fs1 h ALA 15 Cb 1.54 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2fs1 h ALA 15 CO -0.29 1.15 -0.32 0.00 0.00 0.00 0.00 179.25 179.80 2fs1 h ALA 16 N 0.55 1.21 -0.01 0.00 0.00 0.16 -2.72 119.26 118.46 2fs1 h ALA 16 Ca -0.22 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 2fs1 h ALA 16 Cb 2.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2fs1 h ALA 16 CO 0.16 0.40 -0.88 0.97 0.00 0.00 0.00 179.25 179.90 2fs1 h ILE 17 N 0.00 1.44 -0.36 0.00 2.10 0.97 -2.79 117.51 118.88 2fs1 h ILE 17 Ca -0.00 -2.48 0.05 0.00 1.08 0.00 0.00 64.86 63.51 2fs1 h ILE 17 Cb 0.68 2.39 -0.02 0.00 -1.09 0.00 0.00 36.82 38.78 2fs1 h ILE 17 CO 0.04 0.73 0.24 0.50 -1.08 0.00 0.00 178.15 178.59 2fs1 h LYS 18 N 0.18 0.28 0.08 2.19 3.64 -1.48 -0.96 116.57 120.51 2fs1 h LYS 18 Ca -0.06 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.02 2fs1 h LYS 18 Cb 1.50 -0.06 0.03 0.00 -0.41 0.00 0.00 32.23 33.29 2fs1 h LYS 18 CO 0.14 0.19 -1.17 0.93 -2.27 0.00 0.00 179.45 177.27 2fs1 h GLU 19 N 0.29 0.64 -0.44 1.90 3.07 -1.50 -0.84 114.58 117.70 2fs1 h GLU 19 Ca 0.15 -0.81 0.04 0.00 -0.50 0.00 0.00 59.36 58.25 2fs1 h GLU 19 Cb 0.25 0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2fs1 h GLU 19 CO -0.03 1.36 0.29 -0.07 -1.40 0.00 0.00 179.01 179.16 2fs1 h LEU 20 N 0.29 0.37 0.19 1.33 4.07 -0.96 0.98 115.31 121.58 2fs1 h LEU 20 Ca -0.17 -0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.45 2fs1 h LEU 20 Cb 1.84 -0.08 0.02 0.00 1.08 0.00 0.00 40.66 43.51 2fs1 h LEU 20 CO 0.23 0.25 -1.60 0.07 -1.08 0.00 0.00 178.44 176.31 2fs1 h LYS 21 N 0.42 0.41 0.00 1.13 2.10 -1.22 -1.25 116.57 118.16 2fs1 h LYS 21 Ca 0.18 -0.70 -0.08 0.00 -2.00 0.00 0.00 60.65 58.05 2fs1 h LYS 21 Cb 0.20 0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2fs1 h LYS 21 CO -0.04 1.32 -0.40 1.96 -2.00 0.00 0.00 179.45 180.29 2fs1 h GLN 22 N 0.11 0.00 0.15 0.07 4.20 -0.36 -3.05 115.11 116.24 2fs1 h GLN 22 Ca -0.29 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.10 2fs1 h GLN 22 Cb 2.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.89 2fs1 h GLN 22 CO 0.21 0.40 -1.60 1.88 -0.67 0.00 0.00 178.83 179.05 2fs1 h TYR 23 N 0.00 0.59 0.00 2.96 0.05 0.89 -3.49 116.97 117.97 2fs1 h TYR 23 Ca -0.00 -0.43 0.00 0.00 0.05 0.00 0.00 58.73 58.34 2fs1 h TYR 23 Cb 0.79 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.51 2fs1 h TYR 23 CO 0.00 1.50 0.00 0.41 -1.05 0.00 0.00 178.16 179.02 2fs1 n GLY 24 N 1.73 0.67 3.22 3.88 0.00 -0.61 -5.07 105.19 109.02 2fs1 n GLY 24 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.17 0.00 -1.88 -0.61 5.41 -0.57 -4.95 119.36 115.58 2fs1 n ILE 25 Ca 0.00 -0.24 -0.31 0.00 1.00 0.00 0.00 62.75 63.20 2fs1 n ILE 25 Cb 0.00 -0.59 0.01 0.00 -0.71 0.00 0.00 39.64 38.35 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 -1.89 1.67 0.51 7.39 0.00 -1.26 -4.78 107.32 108.96 2fs1 s GLY 26 Ca 0.53 -0.08 0.29 0.00 0.00 0.00 0.00 44.72 45.45 2fs1 s GLY 26 CO 0.60 0.19 1.98 -0.55 0.00 0.00 0.00 173.10 175.33 2fs1 h ASP 27 N -0.30 0.00 -0.75 1.64 3.32 -1.94 -3.07 116.42 115.32 2fs1 h ASP 27 Ca -0.44 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.77 2fs1 h ASP 27 Cb 1.19 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.60 2fs1 h ASP 27 CO 0.62 0.12 -0.08 0.22 -1.72 0.00 0.00 179.24 178.40 2fs1 h TYR 28 N 0.00 -0.21 0.00 4.55 3.20 -1.99 0.34 116.97 122.86 2fs1 h TYR 28 Ca -0.00 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 2fs1 h TYR 28 Cb 0.50 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2fs1 h TYR 28 CO 0.00 -0.28 -0.23 1.88 -1.64 0.00 0.00 178.16 177.89 2fs1 h TYR 29 N 0.05 0.00 -0.03 -3.82 0.05 -1.94 0.45 116.97 111.73 2fs1 h TYR 29 Ca 0.39 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 59.00 2fs1 h TYR 29 Cb 0.65 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 2fs1 h TYR 29 CO -0.50 0.23 -0.75 -0.84 -1.05 0.00 0.00 178.16 175.25 2fs1 h ILE 30 N 0.00 1.44 0.03 -2.88 -0.00 -0.53 -3.03 117.51 112.55 2fs1 h ILE 30 Ca -0.00 -2.32 -0.09 0.00 -0.00 0.00 0.00 64.86 62.45 2fs1 h ILE 30 Cb 0.93 2.24 -0.00 0.00 -0.00 0.00 0.00 36.82 39.99 2fs1 h ILE 30 CO 0.03 0.68 -0.44 0.11 -0.00 0.00 0.00 178.15 178.53 2fs1 h LYS 31 N 0.14 0.07 0.00 0.16 6.56 -0.64 -3.26 116.57 119.60 2fs1 h LYS 31 Ca -0.03 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 2fs1 h LYS 31 Cb 1.32 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 33.02 2fs1 h LYS 31 CO 0.11 1.06 0.34 1.37 -2.06 0.00 0.00 179.45 180.27 2fs1 h LEU 32 N -0.83 0.00 0.04 2.94 -0.00 -0.16 -0.50 115.31 116.79 2fs1 h LEU 32 Ca -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2fs1 h LEU 32 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2fs1 h LEU 32 CO 0.00 0.00 -0.02 0.40 -0.00 0.00 0.00 178.44 178.82 2fs1 h ILE 33 N 0.00 0.72 -0.22 0.15 2.04 -1.58 -3.32 117.51 115.30 2fs1 h ILE 33 Ca 0.00 -1.45 0.06 0.00 1.00 0.00 0.00 64.86 64.48 2fs1 h ILE 33 Cb 0.67 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2fs1 h ILE 33 CO 0.00 0.23 0.40 -1.13 0.00 0.00 0.00 178.15 177.66 2fs1 h ASN 34 N -0.99 0.00 1.24 1.72 -0.73 -1.14 0.71 115.58 116.39 2fs1 h ASN 34 Ca -0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 2fs1 h ASN 34 Cb 0.43 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.01 2fs1 h ASN 34 CO 0.01 0.00 -0.07 -0.55 -0.37 0.00 0.00 177.43 176.45 2fs1 h ASN 35 N 0.00 0.00 -3.40 1.15 7.08 -1.60 -3.46 115.58 115.36 2fs1 h ASN 35 Ca 0.11 0.00 -0.55 0.00 -3.08 0.00 0.00 56.30 52.77 2fs1 h ASN 35 Cb 0.91 0.00 0.19 0.00 -2.08 0.00 0.00 38.32 37.34 2fs1 h ASN 35 CO -0.00 0.07 -0.33 0.00 -2.08 0.00 0.00 177.43 175.08 2fs1 n ALA 36 N -2.13 -1.54 0.69 4.14 0.00 0.24 -4.93 120.51 116.98 2fs1 n ALA 36 Ca 0.01 -0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.20 2fs1 n ALA 36 Cb 0.40 -1.90 0.05 0.00 0.00 0.00 0.00 19.45 18.00 2fs1 n ALA 36 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2fs1 n LYS 37 N -1.29 1.41 0.00 0.00 0.00 -1.26 -4.99 118.16 112.03 2fs1 n LYS 37 Ca 0.10 -1.30 0.00 0.00 -0.00 0.00 0.00 58.31 57.11 2fs1 n LYS 37 Cb 0.51 -1.30 0.00 0.00 -0.00 0.00 0.00 35.03 34.24 2fs1 n LYS 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2fs1 n THR 38 N 0.64 0.00 0.00 0.58 -2.24 -1.26 -5.12 114.28 106.88 2fs1 n THR 38 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2fs1 n THR 38 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.31 2.28 3.14 -1.26 -4.66 118.33 117.52 2fs1 n VAL 39 Ca 0.00 0.00 0.25 0.00 -2.96 0.00 0.00 64.34 61.63 2fs1 n VAL 39 Cb 0.00 -0.21 0.56 0.00 -1.06 0.00 0.00 33.84 33.13 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 0.30 0.02 1.45 4.81 -2.00 0.29 114.58 119.46 2fs1 h GLU 40 Ca 0.00 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 58.95 2fs1 h GLU 40 Cb 0.00 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2fs1 h GLU 40 CO 0.00 0.20 -1.41 0.78 -0.73 0.00 0.00 179.01 177.85 2fs1 h GLY 41 N 0.30 0.05 0.75 1.92 0.00 -1.97 -3.15 103.07 100.97 2fs1 h GLY 41 Ca 0.58 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.81 2fs1 h GLY 41 CO -0.23 0.11 -0.03 -2.08 0.00 0.00 0.00 176.54 174.31 2fs1 h VAL 42 N 0.01 0.87 0.07 4.60 2.07 -0.71 1.03 116.25 124.20 2fs1 h VAL 42 Ca -0.17 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2fs1 h VAL 42 Cb 1.92 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2fs1 h VAL 42 CO 0.11 0.00 -0.03 1.05 0.02 0.00 0.00 177.57 178.72 2fs1 h GLU 43 N 0.01 -0.09 0.00 1.57 4.11 -1.49 -2.99 114.58 115.70 2fs1 h GLU 43 Ca 0.06 0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 2fs1 h GLU 43 Cb 0.09 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2fs1 h GLU 43 CO -0.13 0.35 -0.05 0.66 0.07 0.00 0.00 179.01 179.91 2fs1 h SER 44 N -0.57 0.00 0.74 3.06 4.64 -1.49 -2.44 113.55 117.49 2fs1 h SER 44 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2fs1 h SER 44 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2fs1 h SER 44 CO 0.02 0.05 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.48 2fs1 h LEU 45 N 0.00 -1.22 -0.21 5.97 -0.00 0.13 0.49 115.31 120.47 2fs1 h LEU 45 Ca -0.00 0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 57.88 2fs1 h LEU 45 Cb 0.22 0.36 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2fs1 h LEU 45 CO 0.01 -0.72 -0.13 0.50 -0.00 0.00 0.00 178.44 178.09 2fs1 h LYS 46 N -1.15 0.46 -0.11 1.13 3.11 -1.55 -1.42 116.57 117.05 2fs1 h LYS 46 Ca -0.10 -0.21 0.03 0.00 -2.81 0.00 0.00 60.65 57.56 2fs1 h LYS 46 Cb 0.93 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.15 2fs1 h LYS 46 CO 0.08 0.76 0.09 -0.97 -2.81 0.00 0.00 179.45 176.60 2fs1 h ASN 47 N 0.15 0.00 0.44 4.20 -0.73 -1.42 0.51 115.58 118.73 2fs1 h ASN 47 Ca 0.04 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.96 2fs1 h ASN 47 Cb 0.64 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.24 2fs1 h ASN 47 CO 0.04 0.00 -1.12 -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 4.22 0.27 -2.11 114.58 124.00 2fs1 h GLU 48 Ca 0.05 -0.51 -0.05 0.00 0.08 0.00 0.00 59.36 58.93 2fs1 h GLU 48 Cb 0.23 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2fs1 h GLU 48 CO -0.00 1.19 -0.25 -0.84 -2.18 0.00 0.00 179.01 176.93 2fs1 h ILE 49 N 0.16 1.02 0.06 2.32 3.07 0.14 -2.16 117.51 122.12 2fs1 h ILE 49 Ca -0.12 -0.91 -0.24 0.00 1.55 0.00 0.00 64.86 65.15 2fs1 h ILE 49 Cb 1.80 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 39.84 2fs1 h ILE 49 CO 0.19 0.25 -1.10 -0.07 -1.05 0.00 0.00 178.15 176.36 2fs1 h LEU 50 N 0.00 0.21 -1.97 0.16 3.38 -0.98 -2.51 115.31 113.60 2fs1 h LEU 50 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2fs1 h LEU 50 Cb 0.49 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2fs1 h LEU 50 CO 0.03 1.16 0.00 0.50 0.09 0.00 0.00 178.44 180.23 2fs1 h LYS 51 N 0.04 0.00 -1.24 1.13 3.64 -0.72 -3.32 116.57 116.10 2fs1 h LYS 51 Ca -0.07 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.01 2fs1 h LYS 51 Cb 1.85 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 33.44 2fs1 h LYS 51 CO 0.16 0.00 -0.66 0.00 -2.27 0.00 0.00 179.45 176.69 2fs1 n ALA 52 N -2.01 -0.31 -1.86 5.00 0.00 -1.11 -5.10 120.51 115.12 2fs1 n ALA 52 Ca -0.01 -1.78 -0.37 0.00 0.00 0.00 0.00 53.44 51.28 2fs1 n ALA 52 Cb 0.17 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 2fs1 n ALA 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2fs1 s LEU 53 N 0.23 4.36 -0.25 0.00 1.43 -0.95 -4.81 118.68 118.69 2fs1 s LEU 53 Ca 0.31 1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 54.86 2fs1 s LEU 53 Cb 0.06 -3.89 -0.00 0.00 0.03 0.00 0.00 46.19 42.39 2fs1 s LEU 53 CO -0.13 -0.03 1.26 -2.16 0.23 0.00 0.00 176.35 175.52 2fs1 s PRO 54 N -1.99 4.06 0.52 1.29 0.04 -1.26 -5.03 135.00 132.64 2fs1 s PRO 54 Ca 0.48 1.40 0.08 0.00 0.04 0.00 0.00 61.00 63.00 2fs1 s PRO 54 Cb -0.18 -3.82 0.05 0.00 0.04 0.00 0.00 34.50 30.59 2fs1 s PRO 54 CO 0.23 -0.93 0.62 0.95 0.04 0.00 0.00 177.00 177.92 2fs1 s THR 55 N 3.95 2.24 -2.00 1.26 -4.23 -1.26 -5.20 115.64 110.40 2fs1 s THR 55 Ca 0.54 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2fs1 s THR 55 Cb -0.18 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.28 2fs1 s THR 55 CO 0.18 0.00 0.51 1.21 -0.54 0.00 0.00 174.62 175.99