#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs1 h GLU 2 N 0.00 -0.40 -2.06 2.12 3.07 -2.13 -3.45 114.58 111.74 2fs1 h GLU 2 Ca 0.00 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 2fs1 h GLU 2 Cb 0.00 0.09 -0.21 0.00 -0.84 0.00 0.00 28.75 27.79 2fs1 h GLU 2 CO 0.00 -0.21 -0.05 0.00 -1.40 0.00 0.00 179.01 177.35 2fs1 s ALA 3 N -5.78 -1.85 -0.39 3.43 0.00 -1.26 -5.07 121.76 110.85 2fs1 s ALA 3 Ca -0.15 2.33 0.11 0.00 0.00 0.00 0.00 51.96 54.25 2fs1 s ALA 3 Cb 0.04 -1.48 0.39 0.00 0.00 0.00 0.00 23.12 22.07 2fs1 s ALA 3 CO 0.62 -0.52 1.13 0.28 0.00 0.00 0.00 175.76 177.27 2fs1 n VAL 4 N 4.63 0.24 0.06 0.00 0.31 -1.26 -4.96 118.33 117.36 2fs1 n VAL 4 Ca -0.18 -2.30 0.18 0.00 -0.01 0.00 0.00 64.34 62.03 2fs1 n VAL 4 Cb 0.56 0.85 0.69 0.00 -0.91 0.00 0.00 33.84 35.03 2fs1 n VAL 4 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2fs1 h ASP 5 N 2.59 0.00 -0.70 4.52 3.04 -2.00 -0.38 116.42 123.48 2fs1 h ASP 5 Ca -0.15 0.00 0.09 0.00 -3.24 0.00 0.00 57.03 53.73 2fs1 h ASP 5 Cb 1.19 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.43 2fs1 h ASP 5 CO 0.19 0.00 0.46 0.00 -2.04 0.00 0.00 179.24 177.85 2fs1 h ALA 6 N 1.78 1.87 -0.15 4.15 0.00 -1.98 0.42 119.26 125.35 2fs1 h ALA 6 Ca 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2fs1 h ALA 6 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2fs1 h ALA 6 CO -0.00 -0.01 -0.01 -0.97 0.00 0.00 0.00 179.25 178.26 2fs1 h ASN 7 N 0.59 0.27 0.29 0.00 -0.73 -1.49 0.28 115.58 114.80 2fs1 h ASN 7 Ca 0.32 -0.32 -0.11 0.00 1.87 0.00 0.00 56.30 58.07 2fs1 h ASN 7 Cb 0.47 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 2fs1 h ASN 7 CO -0.11 0.53 -0.43 0.77 -0.37 0.00 0.00 177.43 177.82 2fs1 h SER 8 N 0.01 0.20 -0.21 1.15 4.64 -1.38 -2.91 113.55 115.04 2fs1 h SER 8 Ca 0.04 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 2fs1 h SER 8 Cb 0.39 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2fs1 h SER 8 CO 0.01 0.61 -0.14 0.25 -0.87 0.00 0.00 176.83 176.69 2fs1 h LEU 9 N 0.16 0.50 -1.77 5.97 6.46 -0.03 -2.93 115.31 123.66 2fs1 h LEU 9 Ca 0.01 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 2fs1 h LEU 9 Cb 0.83 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2fs1 h LEU 9 CO 0.06 0.83 0.00 0.00 -0.62 0.00 0.00 178.44 178.71 2fs1 h ALA 10 N 0.69 1.00 0.18 1.25 0.00 -0.85 -2.75 119.26 118.79 2fs1 h ALA 10 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 2fs1 h ALA 10 Cb 0.66 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.47 2fs1 h ALA 10 CO 0.04 0.00 -1.26 0.37 0.00 0.00 0.00 179.25 178.40 2fs1 h GLN 11 N 0.00 0.39 -0.92 0.00 4.15 -1.34 0.24 115.11 117.63 2fs1 h GLN 11 Ca 0.00 -0.66 0.19 0.00 0.77 0.00 0.00 58.65 58.95 2fs1 h GLN 11 Cb 0.23 0.25 -0.08 0.00 0.21 0.00 0.00 27.48 28.09 2fs1 h GLN 11 CO 0.00 1.32 0.60 0.00 -1.93 0.00 0.00 178.83 178.81 2fs1 h ALA 12 N 0.09 2.01 0.00 3.38 0.00 -1.33 1.73 119.26 125.14 2fs1 h ALA 12 Ca -0.23 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2fs1 h ALA 12 Cb 1.90 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 2fs1 h ALA 12 CO 0.18 -0.30 -0.76 1.57 0.00 0.00 0.00 179.25 179.94 2fs1 h LYS 13 N 0.55 0.00 -0.99 0.00 2.10 -1.62 -0.03 116.57 116.58 2fs1 h LYS 13 Ca 0.49 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 59.36 2fs1 h LYS 13 Cb 1.01 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.24 2fs1 h LYS 13 CO -0.22 0.67 0.63 0.93 -2.00 0.00 0.00 179.45 179.45 2fs1 h GLU 14 N -1.00 0.52 0.12 0.07 5.08 -0.14 1.34 114.58 120.57 2fs1 h GLU 14 Ca -0.18 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 2fs1 h GLU 14 Cb 0.94 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 30.10 2fs1 h GLU 14 CO -0.11 0.34 -0.69 0.00 -1.00 0.00 0.00 179.01 177.56 2fs1 h ALA 15 N 1.63 -0.07 0.00 3.43 0.00 0.25 -3.18 119.26 121.32 2fs1 h ALA 15 Ca 0.56 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2fs1 h ALA 15 Cb 1.20 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2fs1 h ALA 15 CO -0.31 0.32 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 2fs1 h ALA 16 N 0.08 1.48 -0.19 0.00 0.00 0.10 -1.38 119.26 119.35 2fs1 h ALA 16 Ca -0.12 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 2fs1 h ALA 16 Cb 1.54 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2fs1 h ALA 16 CO 0.13 0.07 -0.59 0.82 0.00 0.00 0.00 179.25 179.69 2fs1 h ILE 17 N 0.00 1.32 -0.39 0.00 2.04 0.16 -2.71 117.51 117.93 2fs1 h ILE 17 Ca -0.00 -1.84 0.03 0.00 1.00 0.00 0.00 64.86 64.05 2fs1 h ILE 17 Cb 0.15 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2fs1 h ILE 17 CO 0.01 0.57 0.26 0.11 0.00 0.00 0.00 178.15 179.10 2fs1 h LYS 18 N 0.46 0.41 -0.08 2.37 1.57 -1.22 -0.25 116.57 119.83 2fs1 h LYS 18 Ca 0.00 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 2fs1 h LYS 18 Cb 1.15 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.38 2fs1 h LYS 18 CO 0.11 0.27 -0.64 0.93 -0.57 0.00 0.00 179.45 179.55 2fs1 h GLU 19 N 0.43 0.58 -0.03 3.15 3.07 -1.45 0.98 114.58 121.31 2fs1 h GLU 19 Ca 0.16 -0.52 -0.02 0.00 -0.50 0.00 0.00 59.36 58.48 2fs1 h GLU 19 Cb 0.11 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2fs1 h GLU 19 CO -0.04 1.14 -0.09 1.25 -1.40 0.00 0.00 179.01 179.87 2fs1 h LEU 20 N 0.20 0.04 0.12 1.33 5.85 -1.03 1.12 115.31 122.93 2fs1 h LEU 20 Ca -0.06 -0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.37 2fs1 h LEU 20 Cb 1.30 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2fs1 h LEU 20 CO 0.13 0.13 -1.42 0.50 -0.34 0.00 0.00 178.44 177.44 2fs1 h LYS 21 N 0.04 0.25 0.00 1.25 3.64 -0.98 -1.96 116.57 118.80 2fs1 h LYS 21 Ca 0.01 -0.42 -0.18 0.00 -1.27 0.00 0.00 60.65 58.79 2fs1 h LYS 21 Cb 0.18 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2fs1 h LYS 21 CO 0.01 1.14 -0.84 0.37 -2.27 0.00 0.00 179.45 177.86 2fs1 h GLN 22 N 0.07 0.01 0.07 1.90 5.75 -0.02 -3.27 115.11 119.62 2fs1 h GLN 22 Ca -0.20 -0.01 -0.21 0.00 -0.15 0.00 0.00 58.65 58.09 2fs1 h GLN 22 Cb 2.00 0.00 0.02 0.00 1.07 0.00 0.00 27.48 30.57 2fs1 h GLN 22 CO 0.17 0.84 -0.85 1.88 -2.65 0.00 0.00 178.83 178.22 2fs1 h TYR 23 N 0.00 0.72 0.00 3.99 0.05 0.12 -3.48 116.97 118.36 2fs1 h TYR 23 Ca -0.01 -0.44 0.00 0.00 0.05 0.00 0.00 58.73 58.33 2fs1 h TYR 23 Cb 1.48 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.16 2fs1 h TYR 23 CO 0.00 1.29 0.00 0.41 -1.05 0.00 0.00 178.16 178.82 2fs1 n GLY 24 N 1.33 0.97 3.15 3.88 0.00 -0.78 -5.07 105.19 108.67 2fs1 n GLY 24 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.63 0.00 -2.02 -0.61 5.41 -0.95 -4.94 119.36 115.61 2fs1 n ILE 25 Ca 0.00 -0.17 -0.32 0.00 1.00 0.00 0.00 62.75 63.26 2fs1 n ILE 25 Cb 0.00 -0.48 0.00 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 -1.76 1.83 0.54 7.39 0.00 -1.26 -4.83 107.32 109.24 2fs1 s GLY 26 Ca 0.46 0.06 0.31 0.00 0.00 0.00 0.00 44.72 45.55 2fs1 s GLY 26 CO 0.55 0.34 2.07 -0.55 0.00 0.00 0.00 173.10 175.51 2fs1 h ASP 27 N 0.10 0.00 -0.75 1.64 5.19 -1.94 -2.95 116.42 117.71 2fs1 h ASP 27 Ca -0.45 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.13 2fs1 h ASP 27 Cb 1.19 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.57 2fs1 h ASP 27 CO 0.61 0.09 -0.00 0.22 -3.12 0.00 0.00 179.24 177.04 2fs1 h TYR 28 N 0.00 -0.06 0.00 4.55 5.03 -1.99 0.31 116.97 124.80 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 0.37 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 2fs1 h TYR 28 CO 0.00 -0.24 -0.23 1.88 -1.32 0.00 0.00 178.16 178.25 2fs1 h TYR 29 N 0.10 0.00 -0.05 -3.82 0.05 -1.92 0.37 116.97 111.70 2fs1 h TYR 29 Ca 0.41 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 59.02 2fs1 h TYR 29 Cb 0.72 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 2fs1 h TYR 29 CO -0.43 0.23 -0.72 -0.84 -1.05 0.00 0.00 178.16 175.35 2fs1 h ILE 30 N 0.00 1.42 0.02 -2.88 -0.00 -0.58 -3.04 117.51 112.45 2fs1 h ILE 30 Ca -0.00 -2.22 -0.07 0.00 -0.00 0.00 0.00 64.86 62.56 2fs1 h ILE 30 Cb 0.98 2.17 -0.00 0.00 -0.00 0.00 0.00 36.82 39.98 2fs1 h ILE 30 CO 0.03 0.65 -0.38 0.11 -0.00 0.00 0.00 178.15 178.56 2fs1 h LYS 31 N 0.18 0.05 0.00 0.16 1.57 -0.75 -3.27 116.57 114.51 2fs1 h LYS 31 Ca -0.02 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2fs1 h LYS 31 Cb 1.28 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2fs1 h LYS 31 CO 0.11 1.04 0.42 1.37 -0.57 0.00 0.00 179.45 181.83 2fs1 h LEU 32 N -0.89 0.00 0.10 2.94 -0.00 -0.34 -0.25 115.31 116.86 2fs1 h LEU 32 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2fs1 h LEU 32 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2fs1 h LEU 32 CO -0.02 0.00 -0.05 0.40 -0.00 0.00 0.00 178.44 178.78 2fs1 h ILE 33 N 0.00 0.52 -0.24 0.15 2.04 -1.59 -3.28 117.51 115.12 2fs1 h ILE 33 Ca 0.00 -1.22 0.07 0.00 1.00 0.00 0.00 64.86 64.71 2fs1 h ILE 33 Cb 0.85 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2fs1 h ILE 33 CO 0.00 0.16 0.43 -1.13 0.00 0.00 0.00 178.15 177.61 2fs1 h ASN 34 N -0.99 0.00 1.10 1.72 -1.24 -1.10 0.27 115.58 115.34 2fs1 h ASN 34 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 2fs1 h ASN 34 Cb 0.37 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 2fs1 h ASN 34 CO 0.02 0.00 -0.06 -1.13 -1.29 0.00 0.00 177.43 174.97 2fs1 h ASN 35 N 0.00 0.00 -3.99 1.15 -1.24 -1.52 -3.45 115.58 106.54 2fs1 h ASN 35 Ca 0.11 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.59 2fs1 h ASN 35 Cb 0.96 0.00 0.10 0.00 0.73 0.00 0.00 38.32 40.11 2fs1 h ASN 35 CO -0.00 0.06 0.62 0.00 -1.29 0.00 0.00 177.43 176.82 2fs1 s ALA 36 N -3.61 3.13 -0.06 1.57 0.00 0.95 -4.95 121.76 118.79 2fs1 s ALA 36 Ca 0.02 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2fs1 s ALA 36 Cb 0.09 -3.52 -0.25 0.00 0.00 0.00 0.00 23.12 19.44 2fs1 s ALA 36 CO 0.58 -1.02 0.60 1.57 0.00 0.00 0.00 175.76 177.49 2fs1 h LYS 37 N 2.25 0.13 0.00 0.00 -0.00 -1.88 -3.48 116.57 113.60 2fs1 h LYS 37 Ca -0.50 -0.22 0.00 0.00 -0.00 0.00 0.00 60.65 59.93 2fs1 h LYS 37 Cb 1.26 0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.57 2fs1 h LYS 37 CO 0.61 0.84 0.00 0.25 -0.00 0.00 0.00 179.45 181.15 2fs1 n THR 38 N -3.26 0.00 0.00 0.07 -2.24 -1.26 -5.09 114.28 102.50 2fs1 n THR 38 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2fs1 n THR 38 Cb 1.05 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.22 0.00 -0.33 2.28 3.14 -1.26 -4.52 118.33 117.42 2fs1 n VAL 39 Ca 0.00 0.00 0.24 0.00 -2.96 0.00 0.00 64.34 61.62 2fs1 n VAL 39 Cb 0.00 -0.48 0.53 0.00 -1.06 0.00 0.00 33.84 32.83 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 0.34 0.00 1.45 4.57 -1.98 0.39 114.58 119.35 2fs1 h GLU 40 Ca 0.00 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.94 2fs1 h GLU 40 Cb 0.63 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 2fs1 h GLU 40 CO 0.00 0.23 -1.19 0.78 -1.18 0.00 0.00 179.01 177.64 2fs1 h GLY 41 N 0.35 0.00 0.78 1.92 0.00 -1.98 -3.18 103.07 100.96 2fs1 h GLY 41 Ca 0.61 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.96 2fs1 h GLY 41 CO -0.30 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.09 2fs1 h VAL 42 N 0.00 0.80 0.04 4.60 2.07 -0.47 1.00 116.25 124.29 2fs1 h VAL 42 Ca -0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2fs1 h VAL 42 Cb 1.79 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2fs1 h VAL 42 CO 0.10 0.00 -0.02 1.05 0.02 0.00 0.00 177.57 178.72 2fs1 h GLU 43 N -0.12 -0.05 0.00 1.57 4.11 -1.55 -2.93 114.58 115.60 2fs1 h GLU 43 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 2fs1 h GLU 43 Cb 0.17 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2fs1 h GLU 43 CO -0.09 0.37 -0.07 0.66 0.07 0.00 0.00 179.01 179.95 2fs1 h SER 44 N -0.50 0.00 0.70 3.06 4.64 -1.52 -2.21 113.55 117.72 2fs1 h SER 44 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2fs1 h SER 44 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2fs1 h SER 44 CO 0.01 0.07 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.48 2fs1 h LEU 45 N 0.00 -1.25 -0.20 5.97 -0.00 0.13 0.28 115.31 120.24 2fs1 h LEU 45 Ca -0.00 0.08 -0.12 0.00 -0.00 0.00 0.00 57.88 57.83 2fs1 h LEU 45 Cb 0.25 0.38 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 2fs1 h LEU 45 CO 0.01 -0.72 -0.36 0.50 -0.00 0.00 0.00 178.44 177.88 2fs1 h LYS 46 N -1.13 0.60 -0.07 1.13 3.11 -1.54 -2.15 116.57 116.52 2fs1 h LYS 46 Ca -0.09 -0.37 0.02 0.00 -2.81 0.00 0.00 60.65 57.40 2fs1 h LYS 46 Cb 0.92 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 32.19 2fs1 h LYS 46 CO 0.06 0.99 0.06 -0.97 -2.81 0.00 0.00 179.45 176.78 2fs1 h ASN 47 N 0.27 0.00 0.37 4.20 -0.73 -1.38 -0.07 115.58 118.24 2fs1 h ASN 47 Ca 0.01 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.89 2fs1 h ASN 47 Cb 0.95 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.56 2fs1 h ASN 47 CO 0.08 0.00 -1.28 -0.33 -0.37 0.00 0.00 177.43 175.53 2fs1 h GLU 48 N 0.00 0.46 0.00 6.67 5.08 -0.26 -2.11 114.58 124.41 2fs1 h GLU 48 Ca 0.03 -0.69 -0.03 0.00 -1.00 0.00 0.00 59.36 57.67 2fs1 h GLU 48 Cb 0.16 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2fs1 h GLU 48 CO -0.00 1.31 -0.15 -0.84 -1.00 0.00 0.00 179.01 178.33 2fs1 h ILE 49 N 0.16 0.97 0.06 3.13 3.07 -0.41 -1.75 117.51 122.75 2fs1 h ILE 49 Ca -0.18 -0.54 -0.25 0.00 1.55 0.00 0.00 64.86 65.44 2fs1 h ILE 49 Cb 1.97 1.30 -0.02 0.00 -0.27 0.00 0.00 36.82 39.81 2fs1 h ILE 49 CO 0.23 0.15 -1.17 -0.07 -1.05 0.00 0.00 178.15 176.23 2fs1 h LEU 50 N 0.00 0.20 -2.43 0.16 3.38 -1.06 -2.78 115.31 112.78 2fs1 h LEU 50 Ca -0.00 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2fs1 h LEU 50 Cb 0.29 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2fs1 h LEU 50 CO 0.02 1.18 0.12 0.11 0.09 0.00 0.00 178.44 179.95 2fs1 h LYS 51 N 0.03 0.00 -1.91 1.13 1.79 -0.60 -2.94 116.57 114.07 2fs1 h LYS 51 Ca -0.09 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.91 2fs1 h LYS 51 Cb 1.88 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 32.13 2fs1 h LYS 51 CO 0.16 0.00 -1.20 0.00 -1.08 0.00 0.00 179.45 177.33 2fs1 n ALA 52 N -2.24 2.14 -0.02 3.86 0.00 -1.16 -4.94 120.51 118.15 2fs1 n ALA 52 Ca -0.01 -3.38 -0.18 0.00 0.00 0.00 0.00 53.44 49.86 2fs1 n ALA 52 Cb 0.21 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 2fs1 n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2fs1 h LEU 53 N 3.00 0.22 -8.30 0.00 6.46 -1.30 -3.45 115.31 111.93 2fs1 h LEU 53 Ca 0.08 -0.89 -0.53 0.00 -0.12 0.00 0.00 57.88 56.43 2fs1 h LEU 53 Cb 0.99 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 2fs1 h LEU 53 CO 0.50 1.31 1.64 -2.65 -0.62 0.00 0.00 178.44 178.62 2fs1 n PRO 54 N -4.30 0.55 0.02 5.25 -0.02 -1.26 -4.65 135.00 130.58 2fs1 n PRO 54 Ca -0.17 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2fs1 n PRO 54 Cb 0.70 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2fs1 n PRO 54 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2fs1 n THR 55 N 7.58 0.24 -0.52 3.45 -1.04 -1.26 -5.23 114.28 117.51 2fs1 n THR 55 Ca 0.51 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.60 2fs1 n THR 55 Cb 0.24 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 2fs1 n THR 55 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64