#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 -2.00 3.17 4.07 -1.26 -5.15 120.64 119.47 2fs1 n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2fs1 n GLU 2 Cb 0.00 -0.28 0.00 0.00 -0.06 0.00 0.00 31.44 31.10 2fs1 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fs1 n ALA 3 N -2.54 -2.09 -2.25 4.31 0.00 -1.26 -5.02 120.51 111.67 2fs1 n ALA 3 Ca 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 2fs1 n ALA 3 Cb 0.18 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 1.81 0.05 -0.04 0.00 0.31 -1.26 -4.95 118.33 114.26 2fs1 n VAL 4 Ca 0.00 -0.52 -0.12 0.00 -0.01 0.00 0.00 64.34 63.68 2fs1 n VAL 4 Cb 0.00 0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 33.59 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 0.51 0.20 -0.51 4.52 2.03 -1.99 -2.47 116.42 118.72 2fs1 h ASP 5 Ca -0.43 -0.40 -0.01 0.00 -0.73 0.00 0.00 57.03 55.46 2fs1 h ASP 5 Cb 1.56 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 39.98 2fs1 h ASP 5 CO -0.13 0.55 0.27 0.00 -1.03 0.00 0.00 179.24 178.91 2fs1 h ALA 6 N 0.66 1.47 -0.16 4.15 0.00 -1.98 0.12 119.26 123.51 2fs1 h ALA 6 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2fs1 h ALA 6 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2fs1 h ALA 6 CO 0.01 0.43 0.02 -0.97 0.00 0.00 0.00 179.25 178.75 2fs1 h ASN 7 N 0.76 0.26 0.25 0.00 -1.24 -1.93 -0.61 115.58 113.07 2fs1 h ASN 7 Ca 0.19 -0.27 -0.10 0.00 0.71 0.00 0.00 56.30 56.84 2fs1 h ASN 7 Cb 0.06 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2fs1 h ASN 7 CO -0.03 0.46 -0.38 -1.28 -1.29 0.00 0.00 177.43 174.91 2fs1 h SER 8 N 0.05 0.20 -0.30 1.15 0.87 -1.13 -2.97 113.55 111.42 2fs1 h SER 8 Ca 0.05 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2fs1 h SER 8 Cb 0.31 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2fs1 h SER 8 CO 0.00 0.57 -0.01 0.25 -0.53 0.00 0.00 176.83 177.11 2fs1 h LEU 9 N 0.16 0.52 -2.33 2.23 6.46 -0.52 -2.77 115.31 119.06 2fs1 h LEU 9 Ca 0.02 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 2fs1 h LEU 9 Cb 0.75 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2fs1 h LEU 9 CO 0.06 0.71 0.00 0.00 -0.62 0.00 0.00 178.44 178.59 2fs1 h ALA 10 N 0.83 1.00 0.15 1.25 0.00 -0.96 -2.80 119.26 118.72 2fs1 h ALA 10 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2fs1 h ALA 10 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2fs1 h ALA 10 CO 0.02 0.00 -0.92 0.37 0.00 0.00 0.00 179.25 178.71 2fs1 h GLN 11 N 0.00 0.31 -1.02 0.00 4.15 -1.36 0.34 115.11 117.53 2fs1 h GLN 11 Ca 0.00 -0.53 0.25 0.00 0.77 0.00 0.00 58.65 59.14 2fs1 h GLN 11 Cb 0.21 0.20 -0.10 0.00 0.21 0.00 0.00 27.48 28.00 2fs1 h GLN 11 CO 0.00 1.25 0.65 0.00 -1.93 0.00 0.00 178.83 178.80 2fs1 h ALA 12 N 0.07 2.10 0.00 3.38 0.00 -1.29 1.44 119.26 124.96 2fs1 h ALA 12 Ca -0.17 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2fs1 h ALA 12 Cb 1.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2fs1 h ALA 12 CO 0.15 -0.50 -0.49 1.57 0.00 0.00 0.00 179.25 179.98 2fs1 h LYS 13 N 0.47 0.00 -1.21 0.00 2.10 -1.61 -0.28 116.57 116.04 2fs1 h LYS 13 Ca 0.59 0.00 0.37 0.00 -2.00 0.00 0.00 60.65 59.60 2fs1 h LYS 13 Cb 1.36 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.58 2fs1 h LYS 13 CO -0.32 0.19 0.78 0.93 -2.00 0.00 0.00 179.45 179.03 2fs1 h GLU 14 N -1.00 0.20 0.14 0.07 5.08 0.10 1.37 114.58 120.54 2fs1 h GLU 14 Ca -0.05 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.02 2fs1 h GLU 14 Cb 0.54 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2fs1 h GLU 14 CO -0.03 0.13 -1.37 0.00 -1.00 0.00 0.00 179.01 176.74 2fs1 h ALA 15 N 1.60 0.10 0.00 3.43 0.00 0.18 -3.18 119.26 121.39 2fs1 h ALA 15 Ca 0.72 -1.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2fs1 h ALA 15 Cb 2.15 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 20.32 2fs1 h ALA 15 CO -0.35 0.77 -0.13 0.00 0.00 0.00 0.00 179.25 179.53 2fs1 h ALA 16 N 0.02 1.41 0.05 0.00 0.00 0.16 -2.20 119.26 118.69 2fs1 h ALA 16 Ca -0.28 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.28 2fs1 h ALA 16 Cb 1.83 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2fs1 h ALA 16 CO 0.11 0.17 -1.06 -0.84 0.00 0.00 0.00 179.25 177.63 2fs1 h ILE 17 N 0.00 1.59 -0.63 0.00 3.07 0.15 -3.10 117.51 118.58 2fs1 h ILE 17 Ca -0.00 -3.11 0.12 0.00 1.55 0.00 0.00 64.86 63.42 2fs1 h ILE 17 Cb 0.31 2.79 -0.04 0.00 -0.27 0.00 0.00 36.82 39.62 2fs1 h ILE 17 CO 0.02 0.90 0.43 0.50 -1.05 0.00 0.00 178.15 178.94 2fs1 h LYS 18 N 0.05 0.36 0.01 0.16 3.11 -1.37 0.14 116.57 119.03 2fs1 h LYS 18 Ca -0.06 -0.02 -0.24 0.00 -2.81 0.00 0.00 60.65 57.52 2fs1 h LYS 18 Cb 1.78 -0.08 0.01 0.00 -1.00 0.00 0.00 32.23 32.93 2fs1 h LYS 18 CO 0.16 0.24 -0.98 0.93 -2.81 0.00 0.00 179.45 176.98 2fs1 h GLU 19 N 0.37 0.44 -0.33 1.90 3.07 -1.54 -0.81 114.58 117.68 2fs1 h GLU 19 Ca 0.30 -0.49 -0.03 0.00 -0.50 0.00 0.00 59.36 58.64 2fs1 h GLU 19 Cb 0.67 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 2fs1 h GLU 19 CO -0.08 1.15 0.09 1.25 -1.40 0.00 0.00 179.01 180.01 2fs1 h LEU 20 N 0.24 0.43 0.14 1.33 5.85 -0.74 0.89 115.31 123.45 2fs1 h LEU 20 Ca -0.09 -0.05 -0.29 0.00 0.84 0.00 0.00 57.88 58.28 2fs1 h LEU 20 Cb 1.63 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2fs1 h LEU 20 CO 0.17 0.44 -1.38 0.07 -0.34 0.00 0.00 178.44 177.40 2fs1 h LYS 21 N 0.47 0.30 0.00 1.25 2.10 -1.02 -0.22 116.57 119.45 2fs1 h LYS 21 Ca 0.11 -0.51 -0.10 0.00 -2.00 0.00 0.00 60.65 58.16 2fs1 h LYS 21 Cb 0.17 0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2fs1 h LYS 21 CO -0.00 1.21 -0.48 0.37 -2.00 0.00 0.00 179.45 178.55 2fs1 h GLN 22 N 0.08 0.00 0.13 0.07 -0.00 -0.52 -3.19 115.11 111.68 2fs1 h GLN 22 Ca -0.19 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.21 2fs1 h GLN 22 Cb 2.01 0.00 0.01 0.00 0.00 0.00 0.00 27.48 29.50 2fs1 h GLN 22 CO 0.20 0.48 -1.24 1.88 0.00 0.00 0.00 178.83 180.15 2fs1 h TYR 23 N 0.00 0.50 0.00 3.99 0.05 0.75 -3.49 116.97 118.77 2fs1 h TYR 23 Ca -0.00 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.41 2fs1 h TYR 23 Cb 0.93 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.65 2fs1 h TYR 23 CO 0.00 1.48 0.00 0.41 -1.05 0.00 0.00 178.16 179.00 2fs1 n GLY 24 N 1.72 0.71 3.14 3.88 0.00 -0.13 -5.07 105.19 109.44 2fs1 n GLY 24 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.27 0.00 -2.24 -0.61 5.41 -0.99 -4.88 119.36 114.78 2fs1 n ILE 25 Ca 0.00 -0.17 -0.37 0.00 1.00 0.00 0.00 62.75 63.21 2fs1 n ILE 25 Cb 0.00 -0.45 -0.01 0.00 -0.71 0.00 0.00 39.64 38.47 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 -1.70 2.80 0.63 7.39 0.00 -1.26 -4.89 107.32 110.29 2fs1 s GLY 26 Ca 0.46 0.96 0.36 0.00 0.00 0.00 0.00 44.72 46.50 2fs1 s GLY 26 CO 0.56 1.43 2.27 1.29 0.00 0.00 0.00 173.10 178.66 2fs1 h ASP 27 N 2.14 0.00 -0.77 1.64 2.03 -1.95 -2.41 116.42 117.10 2fs1 h ASP 27 Ca -0.49 0.00 0.18 0.00 -0.73 0.00 0.00 57.03 55.98 2fs1 h ASP 27 Cb 1.25 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.63 2fs1 h ASP 27 CO 0.60 0.00 0.16 0.22 -1.03 0.00 0.00 179.24 179.19 2fs1 h TYR 28 N 0.00 0.23 -0.05 4.15 3.20 -1.99 -1.41 116.97 121.10 2fs1 h TYR 28 Ca 0.01 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 2fs1 h TYR 28 Cb 0.09 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2fs1 h TYR 28 CO 0.00 -0.14 -0.23 1.88 -1.64 0.00 0.00 178.16 178.03 2fs1 h TYR 29 N 0.22 0.33 -0.40 -3.82 0.05 -1.81 0.81 116.97 112.35 2fs1 h TYR 29 Ca 0.44 -0.14 0.12 0.00 0.05 0.00 0.00 58.73 59.19 2fs1 h TYR 29 Cb 0.80 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 2fs1 h TYR 29 CO -0.29 0.86 0.34 0.97 -1.05 0.00 0.00 178.16 178.98 2fs1 h ILE 30 N -0.29 0.60 0.00 -2.88 -0.00 -1.54 -0.90 117.51 112.50 2fs1 h ILE 30 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 64.86 64.70 2fs1 h ILE 30 Cb 0.89 0.75 -0.02 0.00 -0.00 0.00 0.00 36.82 38.44 2fs1 h ILE 30 CO 0.05 0.00 -0.77 0.11 -0.00 0.00 0.00 178.15 177.54 2fs1 h LYS 31 N 0.00 0.00 0.00 2.19 6.56 -1.13 -3.28 116.57 120.92 2fs1 h LYS 31 Ca 0.19 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 2fs1 h LYS 31 Cb 0.86 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.52 2fs1 h LYS 31 CO -0.00 1.00 0.34 1.37 -2.06 0.00 0.00 179.45 180.10 2fs1 h LEU 32 N -0.99 0.00 0.05 2.94 -0.00 0.15 -0.93 115.31 116.52 2fs1 h LEU 32 Ca -0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2fs1 h LEU 32 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2fs1 h LEU 32 CO -0.13 0.00 -0.02 0.40 -0.00 0.00 0.00 178.44 178.69 2fs1 h ILE 33 N 0.00 0.49 -0.28 0.15 2.04 -1.30 -3.30 117.51 115.31 2fs1 h ILE 33 Ca 0.00 -1.29 0.08 0.00 1.00 0.00 0.00 64.86 64.65 2fs1 h ILE 33 Cb 0.68 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2fs1 h ILE 33 CO 0.00 0.16 0.52 -1.13 0.00 0.00 0.00 178.15 177.70 2fs1 h ASN 34 N -1.00 0.00 1.43 1.72 -1.24 -1.23 0.45 115.58 115.71 2fs1 h ASN 34 Ca -0.01 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 2fs1 h ASN 34 Cb 0.31 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 2fs1 h ASN 34 CO 0.01 0.00 -0.09 0.78 -1.29 0.00 0.00 177.43 176.84 2fs1 h ASN 35 N 0.00 0.00 -3.96 1.15 4.21 -1.55 -3.46 115.58 111.97 2fs1 h ASN 35 Ca 0.13 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 57.09 2fs1 h ASN 35 Cb 1.17 0.00 0.17 0.00 -1.12 0.00 0.00 38.32 38.54 2fs1 h ASN 35 CO -0.00 0.09 0.36 0.00 -1.29 0.00 0.00 177.43 176.58 2fs1 n ALA 36 N -2.13 0.62 -0.09 -0.83 0.00 0.16 -4.95 120.51 113.28 2fs1 n ALA 36 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 2fs1 n ALA 36 Cb 0.46 -2.24 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 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 -1.89 0.68 0.00 0.00 0.00 -1.26 -4.98 118.16 110.70 2fs1 n LYS 37 Ca 0.15 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 2fs1 n LYS 37 Cb 0.48 -1.56 0.00 0.00 -0.00 0.00 0.00 35.03 33.96 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 -2.89 0.00 0.00 0.58 -2.24 -1.26 -5.10 114.28 103.38 2fs1 n THR 38 Ca -0.33 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2fs1 n THR 38 Cb 1.12 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 -4.62 118.33 117.54 2fs1 n VAL 39 Ca 0.00 0.00 0.21 0.00 -2.96 0.00 0.00 64.34 61.59 2fs1 n VAL 39 Cb 0.00 -0.38 0.46 0.00 -1.06 0.00 0.00 33.84 32.87 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 0.45 0.00 1.45 4.81 -1.99 0.48 114.58 119.78 2fs1 h GLU 40 Ca 0.00 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 2fs1 h GLU 40 Cb 0.27 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2fs1 h GLU 40 CO 0.00 0.30 -0.79 0.78 -0.73 0.00 0.00 179.01 178.57 2fs1 h GLY 41 N 0.46 0.00 0.93 1.92 0.00 -1.98 -3.18 103.07 101.24 2fs1 h GLY 41 Ca 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.91 2fs1 h GLY 41 CO -0.35 0.00 -0.27 -2.08 0.00 0.00 0.00 176.54 173.84 2fs1 h VAL 42 N 0.00 0.44 -0.42 4.60 2.07 -0.33 0.97 116.25 123.58 2fs1 h VAL 42 Ca -0.04 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2fs1 h VAL 42 Cb 1.53 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2fs1 h VAL 42 CO 0.08 0.02 0.20 1.05 0.02 0.00 0.00 177.57 178.94 2fs1 h GLU 43 N -0.82 0.60 0.00 1.57 4.11 -1.53 -2.14 114.58 116.37 2fs1 h GLU 43 Ca -0.08 -0.09 -0.05 0.00 0.07 0.00 0.00 59.36 59.21 2fs1 h GLU 43 Cb 0.60 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2fs1 h GLU 43 CO 0.12 0.53 -0.25 0.66 0.07 0.00 0.00 179.01 180.14 2fs1 h SER 44 N 0.54 0.00 0.63 3.06 4.64 -1.52 -2.57 113.55 118.32 2fs1 h SER 44 Ca 0.14 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 2fs1 h SER 44 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2fs1 h SER 44 CO -0.02 0.25 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.63 2fs1 h LEU 45 N 0.00 -1.29 -0.15 5.97 -0.00 0.17 0.58 115.31 120.58 2fs1 h LEU 45 Ca -0.00 0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.92 2fs1 h LEU 45 Cb 0.69 0.40 -0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2fs1 h LEU 45 CO 0.03 -0.70 -0.10 0.50 -0.00 0.00 0.00 178.44 178.17 2fs1 h LYS 46 N -1.08 0.34 -0.13 1.13 3.11 -1.56 -1.51 116.57 116.85 2fs1 h LYS 46 Ca -0.08 -0.16 0.04 0.00 -2.81 0.00 0.00 60.65 57.64 2fs1 h LYS 46 Cb 0.90 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.13 2fs1 h LYS 46 CO 0.01 0.69 0.11 -0.97 -2.81 0.00 0.00 179.45 176.48 2fs1 h ASN 47 N -0.02 0.00 0.04 4.20 -0.00 -1.43 0.01 115.58 118.38 2fs1 h ASN 47 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 56.30 56.08 2fs1 h ASN 47 Cb 0.60 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.95 2fs1 h ASN 47 CO 0.03 0.00 -1.01 -0.33 -0.00 0.00 0.00 177.43 176.12 2fs1 h GLU 48 N 0.00 0.62 0.00 6.67 5.08 0.40 -1.11 114.58 126.24 2fs1 h GLU 48 Ca 0.06 -0.72 -0.01 0.00 -1.00 0.00 0.00 59.36 57.69 2fs1 h GLU 48 Cb 0.29 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2fs1 h GLU 48 CO -0.00 1.30 -0.06 -0.84 -1.00 0.00 0.00 179.01 178.41 2fs1 h ILE 49 N 0.25 0.89 0.04 3.13 3.07 -0.01 -1.20 117.51 123.69 2fs1 h ILE 49 Ca -0.14 -0.21 -0.26 0.00 1.55 0.00 0.00 64.86 65.80 2fs1 h ILE 49 Cb 1.69 1.12 -0.02 0.00 -0.27 0.00 0.00 36.82 39.33 2fs1 h ILE 49 CO 0.20 0.06 -1.30 -0.07 -1.05 0.00 0.00 178.15 175.98 2fs1 h LEU 50 N 0.00 0.14 -2.04 0.16 3.38 -0.99 -3.19 115.31 112.78 2fs1 h LEU 50 Ca -0.00 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 57.89 2fs1 h LEU 50 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2fs1 h LEU 50 CO 0.01 1.15 0.38 0.50 0.09 0.00 0.00 178.44 180.57 2fs1 h LYS 51 N 0.02 0.00 -0.97 1.13 3.64 0.09 -1.43 116.57 119.05 2fs1 h LYS 51 Ca -0.14 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.79 2fs1 h LYS 51 Cb 1.90 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 33.31 2fs1 h LYS 51 CO 0.13 0.00 -0.94 0.00 -2.27 0.00 0.00 179.45 176.37 2fs1 n ALA 52 N -2.32 4.15 -0.09 5.00 0.00 -1.18 -4.84 120.51 121.23 2fs1 n ALA 52 Ca 0.05 -3.58 -0.21 0.00 0.00 0.00 0.00 53.44 49.70 2fs1 n ALA 52 Cb 0.54 -0.65 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 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 2.58 0.05 -8.34 0.00 6.46 -1.24 -3.45 115.31 111.36 2fs1 h LEU 53 Ca 0.13 -0.59 -0.48 0.00 -0.12 0.00 0.00 57.88 56.82 2fs1 h LEU 53 Cb 1.22 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.10 2fs1 h LEU 53 CO 0.61 1.49 1.69 -2.65 -0.62 0.00 0.00 178.44 178.96 2fs1 n PRO 54 N -4.35 0.59 -1.85 5.25 -0.02 -1.26 -4.66 135.00 128.70 2fs1 n PRO 54 Ca -0.30 -0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.16 2fs1 n PRO 54 Cb 0.71 -2.59 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 7.77 0.25 0.42 3.45 -1.04 -1.26 -5.20 114.28 118.67 2fs1 n THR 55 Ca 0.50 -1.06 0.05 0.00 -2.04 0.00 0.00 64.05 61.49 2fs1 n THR 55 Cb 0.32 0.91 0.04 0.00 -1.82 0.00 0.00 70.33 69.78 2fs1 n THR 55 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64