#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 3.33 -0.30 0.03 2.12 -1.26 -4.90 118.70 117.72 2fs1 s GLU 2 Ca 0.00 -1.36 -0.14 0.00 0.36 0.00 0.00 54.97 53.84 2fs1 s GLU 2 Cb 0.00 -4.54 0.18 0.00 0.26 0.00 0.00 34.13 30.02 2fs1 s GLU 2 CO 0.00 -1.74 1.09 0.00 -0.54 0.00 0.00 175.26 174.07 2fs1 s ALA 3 N 3.15 -3.62 0.00 6.30 0.00 -1.26 -5.04 121.76 121.29 2fs1 s ALA 3 Ca 0.25 1.39 0.09 0.00 0.00 0.00 0.00 51.96 53.69 2fs1 s ALA 3 Cb -0.13 -2.57 0.15 0.00 0.00 0.00 0.00 23.12 20.57 2fs1 s ALA 3 CO 0.00 -1.55 1.05 1.33 0.00 0.00 0.00 175.76 176.60 2fs1 n VAL 4 N 5.44 0.00 0.32 0.00 0.24 -1.26 -4.92 118.33 118.15 2fs1 n VAL 4 Ca -0.06 -0.35 0.20 0.00 -2.04 0.00 0.00 64.34 62.10 2fs1 n VAL 4 Cb 0.54 0.67 1.11 0.00 -1.47 0.00 0.00 33.84 34.69 2fs1 n VAL 4 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2fs1 h ASP 5 N 0.35 0.00 -0.68 -1.34 3.58 -2.02 -2.01 116.42 114.29 2fs1 h ASP 5 Ca -0.44 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.20 2fs1 h ASP 5 Cb 1.57 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.59 2fs1 h ASP 5 CO -0.15 0.00 0.49 0.00 -2.88 0.00 0.00 179.24 176.70 2fs1 h ALA 6 N 1.93 2.56 -0.24 -0.78 0.00 -1.99 -0.88 119.26 119.87 2fs1 h ALA 6 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2fs1 h ALA 6 Cb 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2fs1 h ALA 6 CO -0.00 -0.76 0.16 -0.91 0.00 0.00 0.00 179.25 177.74 2fs1 h ASN 7 N 0.06 0.27 0.35 0.00 2.35 -1.79 0.73 115.58 117.55 2fs1 h ASN 7 Ca 0.33 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.95 2fs1 h ASN 7 Cb 1.23 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 2fs1 h ASN 7 CO -0.02 0.20 -0.50 -1.28 -1.65 0.00 0.00 177.43 174.18 2fs1 h SER 8 N 0.32 0.19 -0.31 5.81 0.87 -1.39 -3.01 113.55 116.03 2fs1 h SER 8 Ca 0.09 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2fs1 h SER 8 Cb -0.03 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2fs1 h SER 8 CO -0.02 0.66 0.02 0.25 -0.53 0.00 0.00 176.83 177.21 2fs1 h LEU 9 N 0.14 0.52 -2.18 2.23 6.46 -0.82 -2.70 115.31 118.96 2fs1 h LEU 9 Ca 0.00 -0.29 -0.00 0.00 -0.12 0.00 0.00 57.88 57.47 2fs1 h LEU 9 Cb 0.93 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 2fs1 h LEU 9 CO 0.07 0.68 -0.00 0.00 -0.62 0.00 0.00 178.44 178.58 2fs1 h ALA 10 N 0.85 1.00 0.21 1.25 0.00 -0.80 -2.80 119.26 118.97 2fs1 h ALA 10 Ca 0.09 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 2fs1 h ALA 10 Cb 0.41 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.23 2fs1 h ALA 10 CO 0.01 0.00 -1.25 0.37 0.00 0.00 0.00 179.25 178.38 2fs1 h GLN 11 N 0.00 0.44 -1.00 0.00 4.15 -1.36 0.19 115.11 117.53 2fs1 h GLN 11 Ca -0.00 -0.75 0.22 0.00 0.77 0.00 0.00 58.65 58.90 2fs1 h GLN 11 Cb 0.27 0.28 -0.10 0.00 0.21 0.00 0.00 27.48 28.14 2fs1 h GLN 11 CO 0.00 1.36 0.62 0.00 -1.93 0.00 0.00 178.83 178.88 2fs1 h ALA 12 N 0.11 1.92 0.00 3.38 0.00 -1.21 1.39 119.26 124.85 2fs1 h ALA 12 Ca -0.22 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2fs1 h ALA 12 Cb 1.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2fs1 h ALA 12 CO 0.22 -0.31 -0.64 1.57 0.00 0.00 0.00 179.25 180.09 2fs1 h LYS 13 N 0.58 0.00 -1.13 0.00 2.10 -1.61 0.71 116.57 117.22 2fs1 h LYS 13 Ca 0.58 0.00 0.32 0.00 -2.00 0.00 0.00 60.65 59.55 2fs1 h LYS 13 Cb 1.16 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.39 2fs1 h LYS 13 CO -0.35 0.48 0.73 0.93 -2.00 0.00 0.00 179.45 179.24 2fs1 h GLU 14 N -1.00 0.27 0.06 0.07 3.07 -0.24 1.06 114.58 117.87 2fs1 h GLU 14 Ca -0.12 -0.02 -0.18 0.00 -0.50 0.00 0.00 59.36 58.54 2fs1 h GLU 14 Cb 0.78 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2fs1 h GLU 14 CO -0.08 0.18 -0.90 0.00 -1.40 0.00 0.00 179.01 176.82 2fs1 h ALA 15 N 1.61 0.11 -0.23 3.43 0.00 0.17 -3.10 119.26 121.26 2fs1 h ALA 15 Ca 0.66 -0.90 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2fs1 h ALA 15 Cb 1.86 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 2fs1 h ALA 15 CO -0.33 0.50 0.18 0.00 0.00 0.00 0.00 179.25 179.60 2fs1 h ALA 16 N -0.12 2.13 0.00 0.00 0.00 0.16 0.13 119.26 121.57 2fs1 h ALA 16 Ca -0.21 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2fs1 h ALA 16 Cb 1.42 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2fs1 h ALA 16 CO -0.01 -0.30 -0.94 -0.84 0.00 0.00 0.00 179.25 177.16 2fs1 h ILE 17 N 0.00 1.32 -0.57 0.00 3.07 0.92 -3.11 117.51 119.13 2fs1 h ILE 17 Ca 0.11 -2.93 0.16 0.00 1.55 0.00 0.00 64.86 63.75 2fs1 h ILE 17 Cb 0.47 2.64 -0.02 0.00 -0.27 0.00 0.00 36.82 39.63 2fs1 h ILE 17 CO -0.00 0.75 0.41 0.50 -1.05 0.00 0.00 178.15 178.77 2fs1 h LYS 18 N 0.00 0.02 0.05 0.16 1.63 -0.88 0.69 116.57 118.24 2fs1 h LYS 18 Ca -0.04 -0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.47 2fs1 h LYS 18 Cb 1.67 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.27 2fs1 h LYS 18 CO 0.10 0.01 -1.51 1.49 -3.45 0.00 0.00 179.45 176.10 2fs1 h GLU 19 N 0.02 0.11 -0.04 1.90 4.81 -1.56 -2.24 114.58 117.58 2fs1 h GLU 19 Ca 0.27 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2fs1 h GLU 19 Cb 1.07 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2fs1 h GLU 19 CO -0.01 0.88 -0.39 1.25 -0.73 0.00 0.00 179.01 180.01 2fs1 h LEU 20 N 0.03 0.08 0.07 1.64 5.85 -0.35 0.17 115.31 122.80 2fs1 h LEU 20 Ca -0.22 -0.03 -0.30 0.00 0.84 0.00 0.00 57.88 58.17 2fs1 h LEU 20 Cb 1.96 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.94 2fs1 h LEU 20 CO 0.12 0.46 -1.61 0.07 -0.34 0.00 0.00 178.44 177.14 2fs1 h LYS 21 N 0.07 0.14 0.00 1.25 5.09 0.09 -2.66 116.57 120.55 2fs1 h LYS 21 Ca 0.01 -0.24 -0.13 0.00 0.09 0.00 0.00 60.65 60.37 2fs1 h LYS 21 Cb 0.71 0.09 -0.02 0.00 0.10 0.00 0.00 32.23 33.11 2fs1 h LYS 21 CO 0.05 0.91 -0.63 -0.56 -2.09 0.00 0.00 179.45 177.13 2fs1 h GLN 22 N 0.04 0.00 0.12 0.07 3.07 -1.24 -3.21 115.11 113.95 2fs1 h GLN 22 Ca -0.26 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.20 2fs1 h GLN 22 Cb 1.99 0.00 0.03 0.00 0.08 0.00 0.00 27.48 29.58 2fs1 h GLN 22 CO 0.12 0.63 -1.17 1.88 0.09 0.00 0.00 178.83 180.38 2fs1 h TYR 23 N 0.00 0.94 0.00 0.06 0.05 -0.76 -3.48 116.97 113.78 2fs1 h TYR 23 Ca -0.01 -0.60 0.00 0.00 0.05 0.00 0.00 58.73 58.17 2fs1 h TYR 23 Cb 1.22 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.89 2fs1 h TYR 23 CO 0.00 1.45 0.00 0.41 -1.05 0.00 0.00 178.16 178.97 2fs1 n GLY 24 N 1.41 0.70 3.16 3.88 0.00 -1.06 -5.09 105.19 108.20 2fs1 n GLY 24 Ca -0.14 0.00 -0.35 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 -1.16 0.00 -2.27 -0.61 5.41 -1.03 -4.88 119.36 114.82 2fs1 n ILE 25 Ca 0.00 -0.18 -0.36 0.00 1.00 0.00 0.00 62.75 63.21 2fs1 n ILE 25 Cb 0.00 -0.36 -0.01 0.00 -0.71 0.00 0.00 39.64 38.56 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 -1.50 2.70 0.62 7.39 0.00 -1.26 -4.89 107.32 110.38 2fs1 s GLY 26 Ca 0.48 0.87 0.36 0.00 0.00 0.00 0.00 44.72 46.43 2fs1 s GLY 26 CO 0.66 1.28 2.30 -0.55 0.00 0.00 0.00 173.10 176.79 2fs1 h ASP 27 N 1.64 0.00 -0.80 1.64 3.32 -1.95 -2.55 116.42 117.73 2fs1 h ASP 27 Ca -0.50 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.74 2fs1 h ASP 27 Cb 1.25 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.68 2fs1 h ASP 27 CO 0.59 0.00 0.19 0.22 -1.72 0.00 0.00 179.24 178.52 2fs1 h TYR 28 N 0.00 0.29 0.13 4.55 3.20 -1.99 -1.74 116.97 121.42 2fs1 h TYR 28 Ca -0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2fs1 h TYR 28 Cb 0.02 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2fs1 h TYR 28 CO 0.00 -0.13 -0.06 1.88 -1.64 0.00 0.00 178.16 178.20 2fs1 h TYR 29 N 0.25 -0.16 -0.90 -3.82 0.05 -1.84 0.89 116.97 111.43 2fs1 h TYR 29 Ca 0.47 -0.00 0.26 0.00 0.05 0.00 0.00 58.73 59.50 2fs1 h TYR 29 Cb 0.86 0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.62 2fs1 h TYR 29 CO -0.27 0.30 0.71 0.97 -1.05 0.00 0.00 178.16 178.81 2fs1 h ILE 30 N -0.75 0.43 0.00 -2.88 -0.00 -1.59 0.93 117.51 113.65 2fs1 h ILE 30 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 64.86 64.72 2fs1 h ILE 30 Cb 0.53 0.49 -0.02 0.00 -0.00 0.00 0.00 36.82 37.83 2fs1 h ILE 30 CO 0.03 0.00 -0.65 0.11 -0.00 0.00 0.00 178.15 177.64 2fs1 h LYS 31 N 0.00 0.00 0.00 2.19 1.79 -1.17 -3.27 116.57 116.11 2fs1 h LYS 31 Ca 0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 2fs1 h LYS 31 Cb 1.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.49 2fs1 h LYS 31 CO -0.00 0.96 0.29 1.37 -1.08 0.00 0.00 179.45 180.98 2fs1 h LEU 32 N -1.00 0.00 0.05 2.94 -0.00 0.27 -1.37 115.31 116.21 2fs1 h LEU 32 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2fs1 h LEU 32 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2fs1 h LEU 32 CO -0.11 0.00 -0.03 0.40 -0.00 0.00 0.00 178.44 178.71 2fs1 h ILE 33 N 0.00 0.46 -0.23 0.15 2.04 -1.00 -3.30 117.51 115.63 2fs1 h ILE 33 Ca 0.00 -1.26 0.07 0.00 1.00 0.00 0.00 64.86 64.67 2fs1 h ILE 33 Cb 0.57 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2fs1 h ILE 33 CO 0.00 0.15 0.42 -1.13 0.00 0.00 0.00 178.15 177.59 2fs1 h ASN 34 N -1.00 0.00 0.95 1.72 -0.73 -1.31 0.18 115.58 115.39 2fs1 h ASN 34 Ca -0.01 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.10 2fs1 h ASN 34 Cb 0.30 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 2fs1 h ASN 34 CO 0.01 0.00 -0.29 0.78 -0.37 0.00 0.00 177.43 177.56 2fs1 h ASN 35 N 0.00 0.00 -3.19 1.15 4.21 -1.56 -3.46 115.58 112.74 2fs1 h ASN 35 Ca 0.11 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 57.04 2fs1 h ASN 35 Cb 0.95 0.00 0.15 0.00 -1.12 0.00 0.00 38.32 38.29 2fs1 h ASN 35 CO -0.00 0.29 0.07 0.00 -1.29 0.00 0.00 177.43 176.50 2fs1 n ALA 36 N -2.25 -0.01 -0.72 -0.83 0.00 0.63 -4.90 120.51 112.43 2fs1 n ALA 36 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.65 2fs1 n ALA 36 Cb 0.48 -2.05 0.35 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.21 3.92 0.00 0.00 4.01 -1.26 -4.95 118.16 119.66 2fs1 n LYS 37 Ca 0.11 -2.92 0.00 0.00 -0.51 0.00 0.00 58.31 54.99 2fs1 n LYS 37 Cb 0.43 -1.96 0.00 0.00 -0.51 0.00 0.00 35.03 32.99 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 0.76 0.00 0.00 -0.18 -2.24 -1.26 -5.12 114.28 106.24 2fs1 n THR 38 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2fs1 n THR 38 Cb 0.95 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.33 2.28 3.14 -1.26 -4.66 118.33 117.49 2fs1 n VAL 39 Ca 0.00 0.00 0.18 0.00 -2.96 0.00 0.00 64.34 61.56 2fs1 n VAL 39 Cb 0.00 -0.31 0.42 0.00 -1.06 0.00 0.00 33.84 32.89 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 0.55 0.00 1.45 4.22 -2.00 0.29 114.58 119.09 2fs1 h GLU 40 Ca 0.00 -0.03 -0.18 0.00 0.08 0.00 0.00 59.36 59.23 2fs1 h GLU 40 Cb 0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2fs1 h GLU 40 CO 0.00 0.36 -0.92 0.78 -2.18 0.00 0.00 179.01 177.05 2fs1 h GLY 41 N 0.56 0.00 0.90 1.92 0.00 -1.97 -3.16 103.07 101.33 2fs1 h GLY 41 Ca 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.92 2fs1 h GLY 41 CO -0.37 0.00 -0.16 -2.08 0.00 0.00 0.00 176.54 173.94 2fs1 h VAL 42 N 0.00 0.66 -0.10 4.60 2.07 -0.72 1.03 116.25 123.79 2fs1 h VAL 42 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2fs1 h VAL 42 Cb 1.63 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2fs1 h VAL 42 CO 0.09 0.00 -0.02 1.05 0.02 0.00 0.00 177.57 178.72 2fs1 h GLU 43 N -0.39 0.20 0.00 1.57 4.11 -1.54 -2.77 114.58 115.75 2fs1 h GLU 43 Ca -0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 2fs1 h GLU 43 Cb 0.33 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2fs1 h GLU 43 CO 0.02 0.49 -0.10 0.66 0.07 0.00 0.00 179.01 180.15 2fs1 h SER 44 N -0.12 0.00 0.69 3.06 4.64 -1.51 -2.66 113.55 117.65 2fs1 h SER 44 Ca 0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2fs1 h SER 44 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2fs1 h SER 44 CO 0.01 0.10 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.51 2fs1 h LEU 45 N 0.00 -1.26 -0.19 5.97 -0.00 0.14 0.56 115.31 120.53 2fs1 h LEU 45 Ca -0.00 0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 57.90 2fs1 h LEU 45 Cb 0.42 0.38 -0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2fs1 h LEU 45 CO 0.01 -0.71 -0.12 0.50 -0.00 0.00 0.00 178.44 178.11 2fs1 h LYS 46 N -1.12 0.43 -0.01 1.13 3.11 -1.55 -1.31 116.57 117.24 2fs1 h LYS 46 Ca -0.09 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 2fs1 h LYS 46 Cb 0.92 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.15 2fs1 h LYS 46 CO 0.05 0.74 0.01 -0.97 -2.81 0.00 0.00 179.45 176.48 2fs1 h ASN 47 N 0.11 0.00 0.40 4.20 -1.24 -1.45 -0.16 115.58 117.44 2fs1 h ASN 47 Ca 0.04 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.77 2fs1 h ASN 47 Cb 0.63 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.70 2fs1 h ASN 47 CO 0.03 0.00 -1.21 -0.08 -1.29 0.00 0.00 177.43 174.89 2fs1 h GLU 48 N 0.00 0.42 0.00 6.67 4.81 0.38 -1.91 114.58 124.96 2fs1 h GLU 48 Ca 0.01 -0.61 -0.04 0.00 -0.13 0.00 0.00 59.36 58.58 2fs1 h GLU 48 Cb 0.03 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2fs1 h GLU 48 CO -0.00 1.26 -0.21 -0.84 -0.73 0.00 0.00 179.01 178.49 2fs1 h ILE 49 N 0.17 0.98 0.07 2.32 3.07 0.08 -2.12 117.51 122.09 2fs1 h ILE 49 Ca -0.15 -0.77 -0.26 0.00 1.55 0.00 0.00 64.86 65.23 2fs1 h ILE 49 Cb 1.89 1.44 -0.01 0.00 -0.27 0.00 0.00 36.82 39.87 2fs1 h ILE 49 CO 0.21 0.21 -1.21 -0.07 -1.05 0.00 0.00 178.15 176.24 2fs1 h LEU 50 N 0.00 0.24 -2.66 0.16 3.38 -1.04 -1.57 115.31 113.82 2fs1 h LEU 50 Ca -0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2fs1 h LEU 50 Cb 0.42 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2fs1 h LEU 50 CO 0.03 1.22 -0.01 0.50 0.09 0.00 0.00 178.44 180.27 2fs1 h LYS 51 N 0.04 0.00 -1.14 1.13 3.64 -0.65 -3.17 116.57 116.42 2fs1 h LYS 51 Ca -0.11 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.89 2fs1 h LYS 51 Cb 1.91 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 33.42 2fs1 h LYS 51 CO 0.17 0.01 -0.90 0.00 -2.27 0.00 0.00 179.45 176.45 2fs1 n ALA 52 N -2.11 1.12 0.32 5.00 0.00 -1.12 -5.01 120.51 118.70 2fs1 n ALA 52 Ca -0.02 -2.61 -0.16 0.00 0.00 0.00 0.00 53.44 50.65 2fs1 n ALA 52 Cb 0.12 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 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 2.95 -1.09 -9.83 0.00 3.38 -1.26 -3.43 115.31 106.03 2fs1 h LEU 53 Ca -0.00 0.07 -0.53 0.00 0.09 0.00 0.00 57.88 57.51 2fs1 h LEU 53 Cb 1.05 0.34 0.08 0.00 0.09 0.00 0.00 40.66 42.22 2fs1 h LEU 53 CO 0.35 -0.60 0.83 -2.16 0.09 0.00 0.00 178.44 176.94 2fs1 s PRO 54 N -5.40 4.15 0.15 1.13 0.04 -1.26 -4.91 135.00 128.90 2fs1 s PRO 54 Ca -0.15 2.52 -0.32 0.00 0.04 0.00 0.00 61.00 63.08 2fs1 s PRO 54 Cb 0.03 -3.03 -0.11 0.00 0.04 0.00 0.00 34.50 31.43 2fs1 s PRO 54 CO 0.50 -0.55 1.78 2.41 0.04 0.00 0.00 177.00 181.17 2fs1 n THR 55 N 1.71 0.21 0.42 1.26 -1.04 -1.26 -5.18 114.28 110.39 2fs1 n THR 55 Ca 0.06 -0.04 0.05 0.00 -2.04 0.00 0.00 64.05 62.08 2fs1 n THR 55 Cb 0.38 -2.02 0.04 0.00 -1.82 0.00 0.00 70.33 66.91 2fs1 n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81