#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 2.66 -0.27 0.03 -1.05 -1.26 -5.14 118.70 113.67 2fs1 s GLU 2 Ca 0.00 -1.41 -0.26 0.00 -0.15 0.00 0.00 54.97 53.15 2fs1 s GLU 2 Cb 0.00 -2.61 0.15 0.00 -0.44 0.00 0.00 34.13 31.23 2fs1 s GLU 2 CO 0.00 -0.34 1.19 0.00 0.95 0.00 0.00 175.26 177.06 2fs1 s ALA 3 N -2.44 -2.06 -0.26 -0.84 0.00 -1.26 -5.07 121.76 109.82 2fs1 s ALA 3 Ca 0.53 1.78 0.11 0.00 0.00 0.00 0.00 51.96 54.37 2fs1 s ALA 3 Cb -0.07 -1.48 0.33 0.00 0.00 0.00 0.00 23.12 21.90 2fs1 s ALA 3 CO 0.32 -0.20 1.42 1.33 0.00 0.00 0.00 175.76 178.63 2fs1 n VAL 4 N 1.70 0.03 0.44 0.00 0.24 -1.26 -4.94 118.33 114.54 2fs1 n VAL 4 Ca -0.11 -0.83 0.08 0.00 -2.04 0.00 0.00 64.34 61.45 2fs1 n VAL 4 Cb 0.57 0.90 0.36 0.00 -1.47 0.00 0.00 33.84 34.20 2fs1 n VAL 4 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2fs1 n ASP 5 N -1.19 0.22 -0.30 -1.34 2.03 -1.26 -3.26 116.55 111.45 2fs1 n ASP 5 Ca -0.19 0.56 0.28 0.00 0.52 0.00 0.00 54.79 55.95 2fs1 n ASP 5 Cb 0.84 -0.60 0.63 0.00 -0.72 0.00 0.00 41.12 41.27 2fs1 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fs1 h ALA 6 N 2.40 2.65 -0.05 -1.67 0.00 -1.98 0.69 119.26 121.29 2fs1 h ALA 6 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2fs1 h ALA 6 Cb 0.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2fs1 h ALA 6 CO 0.00 -1.01 -0.15 -0.97 0.00 0.00 0.00 179.25 177.12 2fs1 h ASN 7 N 0.19 0.23 0.27 0.00 -1.24 -2.00 -2.89 115.58 110.15 2fs1 h ASN 7 Ca 0.56 -0.60 -0.10 0.00 0.71 0.00 0.00 56.30 56.86 2fs1 h ASN 7 Cb 1.82 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.79 2fs1 h ASN 7 CO -0.15 0.79 -0.42 -1.28 -1.29 0.00 0.00 177.43 175.09 2fs1 h SER 8 N -0.32 0.20 -0.47 1.15 0.87 -1.14 -3.01 113.55 110.83 2fs1 h SER 8 Ca -0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2fs1 h SER 8 Cb 0.77 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2fs1 h SER 8 CO 0.03 0.60 0.30 0.25 -0.53 0.00 0.00 176.83 177.48 2fs1 h LEU 9 N 0.16 0.54 -1.70 2.23 6.46 0.27 -1.47 115.31 121.80 2fs1 h LEU 9 Ca 0.01 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2fs1 h LEU 9 Cb 0.80 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2fs1 h LEU 9 CO 0.06 0.40 -0.02 0.00 -0.62 0.00 0.00 178.44 178.26 2fs1 h ALA 10 N 1.16 1.02 0.19 1.25 0.00 -1.38 -3.02 119.26 118.47 2fs1 h ALA 10 Ca 0.17 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 2fs1 h ALA 10 Cb -0.06 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2fs1 h ALA 10 CO -0.04 0.03 -1.29 0.37 0.00 0.00 0.00 179.25 178.33 2fs1 h GLN 11 N 0.00 0.40 -0.98 0.00 4.15 -1.23 0.18 115.11 117.63 2fs1 h GLN 11 Ca -0.00 -0.68 0.20 0.00 0.77 0.00 0.00 58.65 58.94 2fs1 h GLN 11 Cb 0.44 0.25 -0.09 0.00 0.21 0.00 0.00 27.48 28.29 2fs1 h GLN 11 CO 0.00 1.33 0.62 0.00 -1.93 0.00 0.00 178.83 178.85 2fs1 h ALA 12 N 0.09 1.92 0.00 3.38 0.00 -1.17 1.56 119.26 125.05 2fs1 h ALA 12 Ca -0.24 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2fs1 h ALA 12 Cb 1.93 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2fs1 h ALA 12 CO 0.19 -0.27 -0.71 1.57 0.00 0.00 0.00 179.25 180.03 2fs1 h LYS 13 N 0.60 0.00 -1.07 0.00 2.10 -1.63 -0.22 116.57 116.36 2fs1 h LYS 13 Ca 0.55 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 59.48 2fs1 h LYS 13 Cb 1.07 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.31 2fs1 h LYS 13 CO -0.30 0.59 0.69 0.93 -2.00 0.00 0.00 179.45 179.36 2fs1 h GLU 14 N -1.00 0.33 0.06 0.07 5.08 -0.26 1.15 114.58 120.00 2fs1 h GLU 14 Ca -0.15 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 57.90 2fs1 h GLU 14 Cb 0.88 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2fs1 h GLU 14 CO -0.09 0.22 -1.48 0.00 -1.00 0.00 0.00 179.01 176.66 2fs1 h ALA 15 N 1.61 0.44 0.00 3.43 0.00 0.21 -3.22 119.26 121.73 2fs1 h ALA 15 Ca 0.61 -1.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 2fs1 h ALA 15 Cb 1.64 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2fs1 h ALA 15 CO -0.28 1.30 -0.33 0.00 0.00 0.00 0.00 179.25 179.93 2fs1 h ALA 16 N 0.73 1.04 0.07 0.00 0.00 0.21 -2.99 119.26 118.32 2fs1 h ALA 16 Ca -0.21 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 2fs1 h ALA 16 Cb 1.96 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2fs1 h ALA 16 CO 0.13 0.42 -1.10 -0.84 0.00 0.00 0.00 179.25 177.86 2fs1 h ILE 17 N 0.00 1.46 -0.72 0.00 3.07 0.90 -3.13 117.51 119.09 2fs1 h ILE 17 Ca -0.00 -2.79 0.08 0.00 1.55 0.00 0.00 64.86 63.69 2fs1 h ILE 17 Cb 0.83 2.71 -0.05 0.00 -0.27 0.00 0.00 36.82 40.04 2fs1 h ILE 17 CO 0.04 0.82 0.47 0.50 -1.05 0.00 0.00 178.15 178.94 2fs1 h LYS 18 N 0.13 0.66 -0.46 0.16 3.64 -1.53 0.15 116.57 119.33 2fs1 h LYS 18 Ca -0.11 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 2fs1 h LYS 18 Cb 1.78 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 2fs1 h LYS 18 CO 0.18 0.44 -0.24 0.93 -2.27 0.00 0.00 179.45 178.49 2fs1 h GLU 19 N 0.68 0.96 -0.30 1.90 3.07 -1.54 0.18 114.58 119.54 2fs1 h GLU 19 Ca 0.32 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2fs1 h GLU 19 Cb 0.36 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2fs1 h GLU 19 CO -0.11 1.09 0.19 1.25 -1.40 0.00 0.00 179.01 180.03 2fs1 h LEU 20 N 0.83 0.34 0.21 1.33 5.85 -0.96 1.08 115.31 124.00 2fs1 h LEU 20 Ca 0.10 -0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.49 2fs1 h LEU 20 Cb 0.81 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 41.78 2fs1 h LEU 20 CO 0.07 0.25 -1.48 0.50 -0.34 0.00 0.00 178.44 177.44 2fs1 h LYS 21 N 0.40 0.44 0.00 1.25 3.11 -0.87 -0.23 116.57 120.67 2fs1 h LYS 21 Ca 0.11 -0.75 -0.10 0.00 -2.81 0.00 0.00 60.65 57.09 2fs1 h LYS 21 Cb -0.04 0.28 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 2fs1 h LYS 21 CO -0.02 1.35 -0.48 0.37 -2.81 0.00 0.00 179.45 177.86 2fs1 h GLN 22 N 0.12 0.00 0.16 1.90 4.15 0.15 -3.19 115.11 118.40 2fs1 h GLN 22 Ca -0.24 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 58.84 2fs1 h GLN 22 Cb 2.11 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.80 2fs1 h GLN 22 CO 0.24 0.48 -1.73 1.88 -1.93 0.00 0.00 178.83 177.77 2fs1 h TYR 23 N 0.00 0.60 0.00 3.99 0.05 0.11 -3.49 116.97 118.23 2fs1 h TYR 23 Ca -0.00 -0.44 0.00 0.00 0.05 0.00 0.00 58.73 58.34 2fs1 h TYR 23 Cb 1.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2fs1 h TYR 23 CO 0.00 1.59 0.00 0.41 -1.05 0.00 0.00 178.16 179.11 2fs1 n GLY 24 N 1.82 0.76 3.28 3.88 0.00 -0.24 -5.07 105.19 109.62 2fs1 n GLY 24 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.97 0.00 -2.79 -0.61 5.41 -0.38 -4.94 119.36 115.07 2fs1 n ILE 25 Ca 0.00 -0.26 -0.36 0.00 1.00 0.00 0.00 62.75 63.13 2fs1 n ILE 25 Cb 0.00 -0.79 -0.07 0.00 -0.71 0.00 0.00 39.64 38.08 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 -2.28 2.66 0.62 7.39 0.00 -1.26 -4.77 107.32 109.67 2fs1 s GLY 26 Ca 0.59 0.48 0.33 0.00 0.00 0.00 0.00 44.72 46.12 2fs1 s GLY 26 CO 0.59 0.87 2.18 -0.55 0.00 0.00 0.00 173.10 176.19 2fs1 h ASP 27 N 2.74 0.00 -0.76 1.64 3.32 -1.93 -2.29 116.42 119.14 2fs1 h ASP 27 Ca -0.48 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.75 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 0.64 0.00 -0.03 0.22 -1.72 0.00 0.00 179.24 178.35 2fs1 h TYR 28 N 0.00 -0.11 0.00 4.55 3.20 -1.99 0.34 116.97 122.96 2fs1 h TYR 28 Ca 0.04 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 2fs1 h TYR 28 Cb 0.29 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2fs1 h TYR 28 CO 0.00 -0.26 -0.20 1.88 -1.64 0.00 0.00 178.16 177.94 2fs1 h TYR 29 N 0.08 0.00 -0.03 -3.82 0.05 -1.81 0.40 116.97 111.84 2fs1 h TYR 29 Ca 0.41 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 59.01 2fs1 h TYR 29 Cb 0.71 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 2fs1 h TYR 29 CO -0.46 0.20 -0.76 -0.84 -1.05 0.00 0.00 178.16 175.25 2fs1 h ILE 30 N 0.00 1.44 0.02 -2.88 -0.00 -0.50 -3.05 117.51 112.55 2fs1 h ILE 30 Ca -0.00 -2.32 -0.07 0.00 -0.00 0.00 0.00 64.86 62.46 2fs1 h ILE 30 Cb 0.89 2.25 -0.00 0.00 -0.00 0.00 0.00 36.82 39.95 2fs1 h ILE 30 CO 0.03 0.68 -0.38 0.11 -0.00 0.00 0.00 178.15 178.59 2fs1 h LYS 31 N 0.16 0.05 0.00 0.16 6.56 -0.78 -3.26 116.57 119.46 2fs1 h LYS 31 Ca -0.03 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 2fs1 h LYS 31 Cb 1.34 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.03 2fs1 h LYS 31 CO 0.12 1.04 0.44 1.37 -2.06 0.00 0.00 179.45 180.36 2fs1 h LEU 32 N -0.89 0.00 0.13 2.94 -0.00 -0.27 -0.30 115.31 116.92 2fs1 h LEU 32 Ca -0.09 0.00 -0.01 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 -0.01 0.00 -0.06 0.40 -0.00 0.00 0.00 178.44 178.77 2fs1 h ILE 33 N 0.00 0.49 -0.28 0.15 2.04 -1.59 -3.28 117.51 115.05 2fs1 h ILE 33 Ca 0.00 -1.16 0.08 0.00 1.00 0.00 0.00 64.86 64.79 2fs1 h ILE 33 Cb 0.88 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2fs1 h ILE 33 CO 0.00 0.15 0.47 -1.13 0.00 0.00 0.00 178.15 177.64 2fs1 h ASN 34 N -0.99 0.00 0.64 1.72 -1.24 -1.10 0.33 115.58 114.93 2fs1 h ASN 34 Ca -0.02 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 2fs1 h ASN 34 Cb 0.38 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 2fs1 h ASN 34 CO 0.03 0.00 -0.11 0.78 -1.29 0.00 0.00 177.43 176.84 2fs1 h ASN 35 N 0.00 0.00 -4.26 1.15 2.35 -1.53 -3.44 115.58 109.85 2fs1 h ASN 35 Ca 0.13 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.36 2fs1 h ASN 35 Cb 1.07 0.00 0.17 0.00 0.05 0.00 0.00 38.32 39.61 2fs1 h ASN 35 CO -0.00 0.11 0.28 0.00 -1.65 0.00 0.00 177.43 176.17 2fs1 s ALA 36 N -3.91 1.82 -0.19 -0.83 0.00 0.11 -4.99 121.76 113.78 2fs1 s ALA 36 Ca -0.01 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.52 2fs1 s ALA 36 Cb 0.11 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 2fs1 s ALA 36 CO 0.57 -2.30 -0.16 1.63 0.00 0.00 0.00 175.76 175.50 2fs1 n LYS 37 N -3.73 0.50 0.00 0.00 4.76 -1.26 -5.01 118.16 113.42 2fs1 n LYS 37 Ca 0.11 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2fs1 n LYS 37 Cb 0.52 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 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 -5.09 114.28 102.46 2fs1 n THR 38 Ca -0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2fs1 n THR 38 Cb 0.86 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.30 2.28 3.14 -1.26 -4.72 118.33 117.47 2fs1 n VAL 39 Ca 0.00 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.52 2fs1 n VAL 39 Cb 0.00 -0.13 0.31 0.00 -1.06 0.00 0.00 33.84 32.96 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 0.20 0.00 1.45 4.81 -1.98 0.47 114.58 119.53 2fs1 h GLU 40 Ca 0.00 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 2fs1 h GLU 40 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2fs1 h GLU 40 CO 0.00 0.14 -0.75 0.78 -0.73 0.00 0.00 179.01 178.45 2fs1 h GLY 41 N 0.21 0.00 0.89 1.92 0.00 -1.98 -3.16 103.07 100.95 2fs1 h GLY 41 Ca 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 2fs1 h GLY 41 CO -0.66 0.00 0.04 -2.08 0.00 0.00 0.00 176.54 173.84 2fs1 h VAL 42 N 0.00 1.11 -0.00 4.60 2.07 -0.40 0.94 116.25 124.57 2fs1 h VAL 42 Ca -0.01 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2fs1 h VAL 42 Cb 1.56 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2fs1 h VAL 42 CO 0.09 0.10 -0.00 1.05 0.02 0.00 0.00 177.57 178.83 2fs1 h GLU 43 N -0.00 0.00 0.00 1.57 4.11 -1.32 -2.81 114.58 116.13 2fs1 h GLU 43 Ca 0.03 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 2fs1 h GLU 43 Cb 0.13 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2fs1 h GLU 43 CO -0.00 0.36 -0.11 1.03 0.07 0.00 0.00 179.01 180.35 2fs1 h SER 44 N -0.35 0.00 0.26 3.06 0.87 -1.55 -2.53 113.55 113.31 2fs1 h SER 44 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2fs1 h SER 44 Cb 0.35 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2fs1 h SER 44 CO 0.00 0.11 -0.44 -0.07 -0.53 0.00 0.00 176.83 175.90 2fs1 h LEU 45 N 0.00 -1.24 -0.20 2.23 -0.00 0.12 1.13 115.31 117.35 2fs1 h LEU 45 Ca -0.00 0.12 -0.10 0.00 -0.00 0.00 0.00 57.88 57.90 2fs1 h LEU 45 Cb 0.47 0.44 -0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2fs1 h LEU 45 CO 0.01 -0.54 -0.28 0.50 -0.00 0.00 0.00 178.44 178.14 2fs1 h LYS 46 N -0.76 0.53 -0.11 1.13 3.11 -1.54 -1.74 116.57 117.20 2fs1 h LYS 46 Ca -0.01 -0.31 0.03 0.00 -2.81 0.00 0.00 60.65 57.55 2fs1 h LYS 46 Cb 0.73 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.98 2fs1 h LYS 46 CO -0.17 0.91 0.09 -0.97 -2.81 0.00 0.00 179.45 176.50 2fs1 h ASN 47 N 0.20 0.00 0.38 4.20 -0.73 -1.25 -0.18 115.58 118.21 2fs1 h ASN 47 Ca 0.02 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.90 2fs1 h ASN 47 Cb 0.85 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.46 2fs1 h ASN 47 CO 0.06 0.00 -1.28 -0.08 -0.37 0.00 0.00 177.43 175.76 2fs1 h GLU 48 N 0.00 0.45 0.00 6.67 4.81 0.15 -2.60 114.58 124.06 2fs1 h GLU 48 Ca 0.05 -0.68 -0.03 0.00 -0.13 0.00 0.00 59.36 58.56 2fs1 h GLU 48 Cb 0.22 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2fs1 h GLU 48 CO -0.00 1.31 -0.16 -0.84 -0.73 0.00 0.00 179.01 178.59 2fs1 h ILE 49 N 0.16 1.04 0.02 2.32 3.07 -0.17 -1.54 117.51 122.41 2fs1 h ILE 49 Ca -0.18 -0.55 -0.20 0.00 1.55 0.00 0.00 64.86 65.48 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 -0.94 -0.07 -1.05 0.00 0.00 178.15 176.47 2fs1 h LEU 50 N 0.00 0.14 -2.51 0.16 3.38 -1.07 -2.67 115.31 112.72 2fs1 h LEU 50 Ca -0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2fs1 h LEU 50 Cb 0.29 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2fs1 h LEU 50 CO 0.02 1.00 -0.02 0.50 0.09 0.00 0.00 178.44 180.03 2fs1 h LYS 51 N 0.04 0.00 -1.61 1.13 1.63 -0.87 -3.27 116.57 113.62 2fs1 h LYS 51 Ca -0.04 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 59.32 2fs1 h LYS 51 Cb 1.62 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 32.94 2fs1 h LYS 51 CO 0.13 0.02 -0.87 0.00 -3.45 0.00 0.00 179.45 175.29 2fs1 n ALA 52 N -2.21 1.23 -2.52 5.00 0.00 -1.14 -5.10 120.51 115.76 2fs1 n ALA 52 Ca -0.03 -2.59 -0.43 0.00 0.00 0.00 0.00 53.44 50.39 2fs1 n ALA 52 Cb 0.12 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 2fs1 n ALA 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fs1 s LEU 53 N -0.40 4.51 0.00 0.00 0.20 -1.02 -4.86 118.68 117.11 2fs1 s LEU 53 Ca 0.33 -0.32 -0.06 0.00 0.69 0.00 0.00 54.13 54.77 2fs1 s LEU 53 Cb 0.11 -2.70 0.09 0.00 -0.43 0.00 0.00 46.19 43.27 2fs1 s LEU 53 CO -0.15 -0.74 0.25 -2.65 -0.29 0.00 0.00 176.35 172.77 2fs1 n PRO 54 N 6.16 -2.30 -1.50 0.98 -0.02 -1.26 -5.03 135.00 132.03 2fs1 n PRO 54 Ca -0.02 -0.41 -0.05 0.00 -2.02 0.00 0.00 63.50 61.00 2fs1 n PRO 54 Cb 0.48 -0.47 -0.01 0.00 -0.02 0.00 0.00 33.50 33.48 2fs1 n PRO 54 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2fs1 n THR 55 N -3.50 0.02 -0.73 3.45 -2.24 -1.26 -5.16 114.28 104.86 2fs1 n THR 55 Ca 0.04 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2fs1 n THR 55 Cb 0.15 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2fs1 n THR 55 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88