#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 0.00 0.00 0.03 -0.58 -1.26 -4.62 120.64 114.21 2fs1 n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2fs1 n GLU 2 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 2.25 0.00 -2.19 0.62 0.00 -1.26 -5.08 120.51 114.85 2fs1 n ALA 3 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2fs1 n ALA 3 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2fs1 n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2fs1 n VAL 4 N -0.32 0.00 0.09 0.00 3.14 -1.26 -5.00 118.33 114.98 2fs1 n VAL 4 Ca 0.00 -0.18 -0.13 0.00 -2.96 0.00 0.00 64.34 61.07 2fs1 n VAL 4 Cb 0.00 0.45 -0.08 0.00 -1.06 0.00 0.00 33.84 33.15 2fs1 n VAL 4 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2fs1 h ASP 5 N 0.18 0.39 -0.22 6.55 3.58 -1.99 -3.20 116.42 121.71 2fs1 h ASP 5 Ca -0.14 -0.36 -0.09 0.00 0.42 0.00 0.00 57.03 56.85 2fs1 h ASP 5 Cb 0.96 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 2fs1 h ASP 5 CO -0.07 1.22 -0.17 0.00 -2.88 0.00 0.00 179.24 177.34 2fs1 h ALA 6 N 0.74 1.04 -0.19 -0.78 0.00 -1.97 -0.04 119.26 118.05 2fs1 h ALA 6 Ca -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2fs1 h ALA 6 Cb 1.74 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2fs1 h ALA 6 CO 0.17 0.58 0.07 -0.91 0.00 0.00 0.00 179.25 179.16 2fs1 h ASN 7 N 0.59 0.27 0.28 0.00 -0.26 -1.97 0.45 115.58 114.94 2fs1 h ASN 7 Ca 0.09 -0.18 -0.11 0.00 -0.56 0.00 0.00 56.30 55.54 2fs1 h ASN 7 Cb 0.63 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 2fs1 h ASN 7 CO 0.04 0.38 -0.43 0.28 -1.06 0.00 0.00 177.43 176.64 2fs1 h SER 8 N 0.14 0.20 -0.17 5.81 0.02 -1.53 -2.94 113.55 115.09 2fs1 h SER 8 Ca 0.06 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2fs1 h SER 8 Cb 0.20 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2fs1 h SER 8 CO -0.00 0.61 -0.23 0.25 -1.14 0.00 0.00 176.83 176.32 2fs1 h LEU 9 N 0.16 0.49 -2.12 5.07 6.46 -0.66 -3.05 115.31 121.66 2fs1 h LEU 9 Ca 0.01 -0.51 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 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 0.91 0.00 0.00 -0.62 0.00 0.00 178.44 178.79 2fs1 h ALA 10 N 0.60 1.00 0.17 1.25 0.00 -0.01 -2.65 119.26 119.62 2fs1 h ALA 10 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 2fs1 h ALA 10 Cb 0.79 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2fs1 h ALA 10 CO 0.05 0.00 -1.34 0.37 0.00 0.00 0.00 179.25 178.34 2fs1 h GLN 11 N 0.00 0.36 -0.99 0.00 4.15 -1.42 0.70 115.11 117.92 2fs1 h GLN 11 Ca 0.00 -0.62 0.23 0.00 0.77 0.00 0.00 58.65 59.03 2fs1 h GLN 11 Cb 0.15 0.23 -0.09 0.00 0.21 0.00 0.00 27.48 27.98 2fs1 h GLN 11 CO 0.00 1.30 0.63 0.00 -1.93 0.00 0.00 178.83 178.83 2fs1 h ALA 12 N 0.07 2.07 0.00 3.38 0.00 -1.39 1.51 119.26 124.90 2fs1 h ALA 12 Ca -0.26 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2fs1 h ALA 12 Cb 1.90 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2fs1 h ALA 12 CO 0.16 -0.44 -0.73 1.57 0.00 0.00 0.00 179.25 179.81 2fs1 h LYS 13 N 0.50 0.00 -1.08 0.00 2.10 -1.63 0.13 116.57 116.58 2fs1 h LYS 13 Ca 0.56 0.00 0.29 0.00 -2.00 0.00 0.00 60.65 59.49 2fs1 h LYS 13 Cb 1.25 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.48 2fs1 h LYS 13 CO -0.29 0.63 0.70 0.93 -2.00 0.00 0.00 179.45 179.42 2fs1 h GLU 14 N -1.00 0.33 0.11 0.07 3.07 -0.35 1.26 114.58 118.06 2fs1 h GLU 14 Ca -0.17 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 58.44 2fs1 h GLU 14 Cb 0.91 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 2fs1 h GLU 14 CO -0.10 0.22 -1.17 0.00 -1.40 0.00 0.00 179.01 176.56 2fs1 h ALA 15 N 1.61 0.11 0.00 3.43 0.00 0.20 -3.14 119.26 121.47 2fs1 h ALA 15 Ca 0.62 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2fs1 h ALA 15 Cb 1.66 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 2fs1 h ALA 15 CO -0.30 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.54 2fs1 h ALA 16 N -0.05 1.50 0.00 0.00 0.00 0.17 -1.62 119.26 119.26 2fs1 h ALA 16 Ca -0.25 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.38 2fs1 h ALA 16 Cb 1.65 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2fs1 h ALA 16 CO 0.06 0.08 -1.10 -0.84 0.00 0.00 0.00 179.25 177.45 2fs1 h ILE 17 N 0.00 1.52 -0.96 0.00 3.07 0.13 -3.17 117.51 118.10 2fs1 h ILE 17 Ca -0.00 -3.24 0.17 0.00 1.55 0.00 0.00 64.86 63.34 2fs1 h ILE 17 Cb 0.16 2.75 -0.09 0.00 -0.27 0.00 0.00 36.82 39.38 2fs1 h ILE 17 CO 0.01 0.87 0.61 0.50 -1.05 0.00 0.00 178.15 179.08 2fs1 h LYS 18 N 0.00 0.70 -0.06 0.16 1.63 -1.24 0.43 116.57 118.19 2fs1 h LYS 18 Ca -0.06 -0.04 -0.20 0.00 -0.85 0.00 0.00 60.65 59.50 2fs1 h LYS 18 Cb 1.79 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 33.26 2fs1 h LYS 18 CO 0.12 0.46 -0.80 0.93 -3.45 0.00 0.00 179.45 176.71 2fs1 h GLU 19 N 0.72 0.44 -0.32 1.90 3.07 -1.59 0.15 114.58 118.95 2fs1 h GLU 19 Ca 0.51 -0.39 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 2fs1 h GLU 19 Cb 0.84 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 2fs1 h GLU 19 CO -0.28 1.04 0.12 1.25 -1.40 0.00 0.00 179.01 179.74 2fs1 h LEU 20 N 0.28 0.40 0.11 1.33 5.85 -0.30 0.67 115.31 123.66 2fs1 h LEU 20 Ca -0.05 -0.04 -0.31 0.00 0.84 0.00 0.00 57.88 58.33 2fs1 h LEU 20 Cb 1.40 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 2fs1 h LEU 20 CO 0.14 0.38 -1.56 0.07 -0.34 0.00 0.00 178.44 177.13 2fs1 h LYS 21 N 0.45 0.22 -0.02 1.25 2.10 -0.51 -2.10 116.57 117.95 2fs1 h LYS 21 Ca 0.11 -0.38 -0.11 0.00 -2.00 0.00 0.00 60.65 58.27 2fs1 h LYS 21 Cb 0.11 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 2fs1 h LYS 21 CO -0.01 1.07 -0.48 0.37 -2.00 0.00 0.00 179.45 178.40 2fs1 h GLN 22 N 0.06 0.05 0.19 0.07 4.15 -0.43 -3.10 115.11 116.10 2fs1 h GLN 22 Ca -0.25 -0.03 -0.26 0.00 0.77 0.00 0.00 58.65 58.88 2fs1 h GLN 22 Cb 2.01 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.73 2fs1 h GLN 22 CO 0.15 0.52 -1.15 1.88 -1.93 0.00 0.00 178.83 178.30 2fs1 h TYR 23 N 0.04 0.79 0.00 3.99 0.05 0.26 -3.48 116.97 118.62 2fs1 h TYR 23 Ca -0.00 -0.57 0.00 0.00 0.05 0.00 0.00 58.73 58.21 2fs1 h TYR 23 Cb 0.86 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.57 2fs1 h TYR 23 CO 0.00 1.44 0.00 0.41 -1.05 0.00 0.00 178.16 178.96 2fs1 n GLY 24 N 1.66 0.74 3.16 3.88 0.00 -0.84 -5.08 105.19 108.70 2fs1 n GLY 24 Ca -0.15 0.00 -0.34 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 -1.04 0.00 -1.81 -0.61 5.41 -0.89 -4.91 119.36 115.51 2fs1 n ILE 25 Ca 0.00 -0.18 -0.32 0.00 1.00 0.00 0.00 62.75 63.25 2fs1 n ILE 25 Cb 0.00 -0.38 0.04 0.00 -0.71 0.00 0.00 39.64 38.59 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 -1.53 2.03 0.55 7.39 0.00 -1.26 -4.87 107.32 109.63 2fs1 s GLY 26 Ca 0.47 0.39 0.32 0.00 0.00 0.00 0.00 44.72 45.90 2fs1 s GLY 26 CO 0.64 0.72 2.10 -0.55 0.00 0.00 0.00 173.10 176.00 2fs1 h ASP 27 N 0.00 0.00 -0.80 1.64 3.32 -1.95 -2.96 116.42 115.67 2fs1 h ASP 27 Ca -0.46 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.78 2fs1 h ASP 27 Cb 1.23 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.65 2fs1 h ASP 27 CO 0.56 0.08 0.19 0.22 -1.72 0.00 0.00 179.24 178.57 2fs1 h TYR 28 N 0.00 0.29 0.03 4.55 3.20 -1.99 -1.60 116.97 121.45 2fs1 h TYR 28 Ca -0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2fs1 h TYR 28 Cb 0.34 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2fs1 h TYR 28 CO 0.00 -0.14 -0.01 1.88 -1.64 0.00 0.00 178.16 178.25 2fs1 h TYR 29 N 0.24 -0.03 -0.68 -3.82 0.05 -1.91 0.85 116.97 111.67 2fs1 h TYR 29 Ca 0.47 -0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.45 2fs1 h TYR 29 Cb 0.86 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 2fs1 h TYR 29 CO -0.27 0.56 0.57 0.97 -1.05 0.00 0.00 178.16 178.94 2fs1 h ILE 30 N -0.66 0.46 0.00 -2.88 -0.00 -1.57 0.39 117.51 113.24 2fs1 h ILE 30 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 64.86 64.71 2fs1 h ILE 30 Cb 0.61 0.58 -0.02 0.00 -0.00 0.00 0.00 36.82 37.99 2fs1 h ILE 30 CO 0.01 0.00 -0.79 0.11 -0.00 0.00 0.00 178.15 177.48 2fs1 h LYS 31 N 0.00 0.00 0.00 2.19 1.79 -1.16 -3.26 116.57 116.13 2fs1 h LYS 31 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2fs1 h LYS 31 Cb 1.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 2fs1 h LYS 31 CO -0.00 0.97 0.31 1.37 -1.08 0.00 0.00 179.45 181.01 2fs1 h LEU 32 N -1.00 0.00 0.06 2.94 -0.00 0.21 -1.04 115.31 116.48 2fs1 h LEU 32 Ca -0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.66 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 -0.13 0.00 -0.03 0.40 -0.00 0.00 0.00 178.44 178.68 2fs1 h ILE 33 N 0.00 0.48 -0.24 0.15 2.04 -1.09 -3.30 117.51 115.56 2fs1 h ILE 33 Ca 0.00 -1.27 0.07 0.00 1.00 0.00 0.00 64.86 64.66 2fs1 h ILE 33 Cb 0.61 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2fs1 h ILE 33 CO 0.00 0.16 0.44 -1.13 0.00 0.00 0.00 178.15 177.62 2fs1 h ASN 34 N -1.00 0.00 0.60 1.72 -1.24 -1.24 0.19 115.58 114.61 2fs1 h ASN 34 Ca -0.01 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.91 2fs1 h ASN 34 Cb 0.32 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2fs1 h ASN 34 CO 0.01 0.00 -0.42 -1.13 -1.29 0.00 0.00 177.43 174.60 2fs1 h ASN 35 N 0.00 0.00 -3.60 1.15 -0.00 -1.54 -3.45 115.58 108.14 2fs1 h ASN 35 Ca 0.11 0.00 -0.56 0.00 -0.00 0.00 0.00 56.30 55.85 2fs1 h ASN 35 Cb 0.99 0.00 0.18 0.00 -0.00 0.00 0.00 38.32 39.49 2fs1 h ASN 35 CO -0.00 0.42 -0.01 0.00 -0.00 0.00 0.00 177.43 177.84 2fs1 n ALA 36 N -2.38 -0.42 -0.10 1.57 0.00 0.68 -4.95 120.51 114.91 2fs1 n ALA 36 Ca -0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 2fs1 n ALA 36 Cb 0.49 -2.05 -0.14 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.40 0.67 0.00 0.00 4.01 -1.26 -4.98 118.16 115.20 2fs1 n LYS 37 Ca 0.13 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 2fs1 n LYS 37 Cb 0.49 -1.55 0.00 0.00 -0.51 0.00 0.00 35.03 33.46 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 -3.07 0.00 0.00 -0.18 -2.24 -1.26 -5.09 114.28 102.43 2fs1 n THR 38 Ca -0.38 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2fs1 n THR 38 Cb 1.06 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 -4.64 118.33 117.52 2fs1 n VAL 39 Ca 0.00 0.00 0.23 0.00 -2.96 0.00 0.00 64.34 61.61 2fs1 n VAL 39 Cb 0.00 -0.28 0.51 0.00 -1.06 0.00 0.00 33.84 33.01 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 0.37 0.00 1.45 4.81 -1.98 0.38 114.58 119.60 2fs1 h GLU 40 Ca 0.00 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 2fs1 h GLU 40 Cb 0.14 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2fs1 h GLU 40 CO 0.00 0.25 -1.11 0.78 -0.73 0.00 0.00 179.01 178.19 2fs1 h GLY 41 N 0.38 0.00 0.91 1.92 0.00 -1.97 -3.18 103.07 101.13 2fs1 h GLY 41 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2fs1 h GLY 41 CO -0.30 0.00 -0.06 -2.08 0.00 0.00 0.00 176.54 174.10 2fs1 h VAL 42 N 0.00 0.87 -0.00 4.60 2.07 -0.53 0.95 116.25 124.20 2fs1 h VAL 42 Ca -0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2fs1 h VAL 42 Cb 1.72 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2fs1 h VAL 42 CO 0.09 0.00 -0.00 1.05 0.02 0.00 0.00 177.57 178.73 2fs1 h GLU 43 N -0.12 0.00 0.00 1.57 4.11 -1.55 -2.88 114.58 115.72 2fs1 h GLU 43 Ca 0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 2fs1 h GLU 43 Cb 0.12 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2fs1 h GLU 43 CO -0.03 0.42 -0.07 0.66 0.07 0.00 0.00 179.01 180.06 2fs1 h SER 44 N -0.41 0.00 0.64 3.06 4.64 -1.52 -2.68 113.55 117.28 2fs1 h SER 44 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2fs1 h SER 44 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2fs1 h SER 44 CO 0.00 0.07 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.47 2fs1 h LEU 45 N 0.00 -1.29 -0.15 5.97 -0.00 0.12 0.57 115.31 120.52 2fs1 h LEU 45 Ca -0.00 0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2fs1 h LEU 45 Cb 0.31 0.40 -0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2fs1 h LEU 45 CO 0.01 -0.70 -0.07 0.50 -0.00 0.00 0.00 178.44 178.18 2fs1 h LYS 46 N -1.10 0.31 -0.09 1.13 3.11 -1.55 -1.10 116.57 117.28 2fs1 h LYS 46 Ca -0.08 -0.13 0.03 0.00 -2.81 0.00 0.00 60.65 57.65 2fs1 h LYS 46 Cb 0.91 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.13 2fs1 h LYS 46 CO 0.02 0.63 0.07 -0.91 -2.81 0.00 0.00 179.45 176.45 2fs1 h ASN 47 N -0.02 0.00 0.22 4.20 4.21 -1.45 -0.12 115.58 122.62 2fs1 h ASN 47 Ca 0.03 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.25 2fs1 h ASN 47 Cb 0.53 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.76 2fs1 h ASN 47 CO 0.02 0.00 -1.22 -0.08 -1.29 0.00 0.00 177.43 174.86 2fs1 h GLU 48 N 0.00 0.56 0.00 0.81 4.81 0.40 -2.08 114.58 119.08 2fs1 h GLU 48 Ca 0.04 -0.75 -0.03 0.00 -0.13 0.00 0.00 59.36 58.50 2fs1 h GLU 48 Cb 0.19 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2fs1 h GLU 48 CO -0.00 1.33 -0.13 -0.84 -0.73 0.00 0.00 179.01 178.64 2fs1 h ILE 49 N 0.24 0.93 0.06 2.32 3.07 0.23 -1.57 117.51 122.78 2fs1 h ILE 49 Ca -0.17 -0.47 -0.24 0.00 1.55 0.00 0.00 64.86 65.53 2fs1 h ILE 49 Cb 1.89 1.27 -0.02 0.00 -0.27 0.00 0.00 36.82 39.69 2fs1 h ILE 49 CO 0.23 0.13 -1.13 -0.07 -1.05 0.00 0.00 178.15 176.25 2fs1 h LEU 50 N 0.00 0.19 -2.63 0.16 3.38 -1.03 -2.53 115.31 112.85 2fs1 h LEU 50 Ca -0.00 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2fs1 h LEU 50 Cb 0.26 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2fs1 h LEU 50 CO 0.02 1.16 0.04 0.11 0.09 0.00 0.00 178.44 179.86 2fs1 h LYS 51 N 0.03 0.00 -1.63 1.13 6.56 -0.56 -3.04 116.57 119.07 2fs1 h LYS 51 Ca -0.07 0.00 -0.44 0.00 -1.06 0.00 0.00 60.65 59.08 2fs1 h LYS 51 Cb 1.87 0.00 -0.37 0.00 -0.57 0.00 0.00 32.23 33.16 2fs1 h LYS 51 CO 0.16 0.00 -1.10 0.00 -2.06 0.00 0.00 179.45 176.45 2fs1 n ALA 52 N -2.20 1.86 -1.58 3.86 0.00 -1.16 -5.09 120.51 116.19 2fs1 n ALA 52 Ca -0.02 -3.12 -0.44 0.00 0.00 0.00 0.00 53.44 49.85 2fs1 n ALA 52 Cb 0.12 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 2fs1 n ALA 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fs1 n LEU 53 N 0.23 3.10 -4.73 0.00 4.77 -0.96 -4.94 117.00 114.48 2fs1 n LEU 53 Ca 0.21 0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 56.11 2fs1 n LEU 53 Cb 0.69 -1.52 0.21 0.00 -2.33 0.00 0.00 43.42 40.46 2fs1 n LEU 53 CO 0.19 -0.71 0.71 -2.16 -1.33 0.00 0.00 177.39 174.10 2fs1 s PRO 54 N 6.37 -0.25 -0.32 3.23 0.04 -1.26 -4.72 135.00 138.09 2fs1 s PRO 54 Ca 1.02 -0.10 -0.03 0.00 0.04 0.00 0.00 61.00 61.93 2fs1 s PRO 54 Cb -0.40 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2fs1 s PRO 54 CO 0.37 -3.06 0.11 2.41 0.04 0.00 0.00 177.00 176.87 2fs1 n THR 55 N -4.29-11.44 1.94 1.26 -1.04 -1.26 -5.17 114.28 94.28 2fs1 n THR 55 Ca 0.12 1.62 0.16 0.00 -2.04 0.00 0.00 64.05 63.91 2fs1 n THR 55 Cb 0.59 -6.82 0.90 0.00 -1.82 0.00 0.00 70.33 63.18 2fs1 n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81