#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 0.56 -0.30 2.12 2.02 -1.26 -5.14 118.70 116.70 2fs1 s GLU 2 Ca 0.00 0.75 -0.11 0.00 0.02 0.00 0.00 54.97 55.63 2fs1 s GLU 2 Cb 0.00 0.22 0.18 0.00 0.10 0.00 0.00 34.13 34.63 2fs1 s GLU 2 CO 0.00 -0.09 0.98 0.00 0.02 0.00 0.00 175.26 176.17 2fs1 s ALA 3 N 0.55 -3.32 -0.27 5.21 0.00 -1.26 -5.05 121.76 117.62 2fs1 s ALA 3 Ca -0.02 1.47 0.16 0.00 0.00 0.00 0.00 51.96 53.56 2fs1 s ALA 3 Cb -0.04 -2.49 0.41 0.00 0.00 0.00 0.00 23.12 21.00 2fs1 s ALA 3 CO -0.03 -1.51 1.35 1.33 0.00 0.00 0.00 175.76 176.90 2fs1 n VAL 4 N 5.43 0.42 0.13 0.00 0.24 -1.26 -4.93 118.33 118.36 2fs1 n VAL 4 Ca -0.04 -1.56 0.18 0.00 -2.04 0.00 0.00 64.34 60.87 2fs1 n VAL 4 Cb 0.54 1.07 0.76 0.00 -1.47 0.00 0.00 33.84 34.73 2fs1 n VAL 4 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2fs1 h ASP 5 N 1.46 0.00 -0.10 -1.34 3.04 -2.03 -0.04 116.42 117.41 2fs1 h ASP 5 Ca -0.35 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.47 2fs1 h ASP 5 Cb 1.32 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.61 2fs1 h ASP 5 CO -0.06 0.00 0.18 0.00 -2.04 0.00 0.00 179.24 177.32 2fs1 h ALA 6 N 1.73 1.51 -0.37 4.15 0.00 -1.99 -2.02 119.26 122.27 2fs1 h ALA 6 Ca 0.15 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2fs1 h ALA 6 Cb 0.71 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2fs1 h ALA 6 CO -0.00 -0.23 0.12 -0.91 0.00 0.00 0.00 179.25 178.23 2fs1 h ASN 7 N 0.00 0.12 0.31 0.00 2.35 -1.42 0.78 115.58 117.72 2fs1 h ASN 7 Ca 0.05 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 2fs1 h ASN 7 Cb 0.41 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2fs1 h ASN 7 CO -0.00 0.11 -0.45 -1.28 -1.65 0.00 0.00 177.43 174.15 2fs1 h SER 8 N 0.27 0.18 -0.19 5.81 0.87 -1.57 -2.96 113.55 115.96 2fs1 h SER 8 Ca 0.17 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 2fs1 h SER 8 Cb 0.15 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2fs1 h SER 8 CO -0.18 0.61 -0.19 0.25 -0.53 0.00 0.00 176.83 176.79 2fs1 h LEU 9 N 0.14 0.49 -2.05 2.23 6.46 -1.17 -3.00 115.31 118.42 2fs1 h LEU 9 Ca 0.01 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 2fs1 h LEU 9 Cb 0.86 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2fs1 h LEU 9 CO 0.07 0.87 0.00 0.00 -0.62 0.00 0.00 178.44 178.76 2fs1 h ALA 10 N 0.63 1.00 0.18 1.25 0.00 0.63 -2.58 119.26 120.37 2fs1 h ALA 10 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 2fs1 h ALA 10 Cb 0.74 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.55 2fs1 h ALA 10 CO 0.05 0.00 -1.08 0.37 0.00 0.00 0.00 179.25 178.58 2fs1 h GLN 11 N 0.00 0.38 -0.98 0.00 4.15 -1.38 0.38 115.11 117.65 2fs1 h GLN 11 Ca 0.00 -0.64 0.22 0.00 0.77 0.00 0.00 58.65 58.99 2fs1 h GLN 11 Cb 0.15 0.24 -0.09 0.00 0.21 0.00 0.00 27.48 27.99 2fs1 h GLN 11 CO 0.00 1.31 0.63 0.00 -1.93 0.00 0.00 178.83 178.83 2fs1 h ALA 12 N 0.10 2.02 0.00 3.38 0.00 -1.39 1.53 119.26 124.89 2fs1 h ALA 12 Ca -0.19 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2fs1 h ALA 12 Cb 1.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2fs1 h ALA 12 CO 0.19 -0.38 -0.46 1.57 0.00 0.00 0.00 179.25 180.17 2fs1 h LYS 13 N 0.53 0.00 -1.23 0.00 2.10 -1.60 -0.41 116.57 115.96 2fs1 h LYS 13 Ca 0.55 0.00 0.38 0.00 -2.00 0.00 0.00 60.65 59.58 2fs1 h LYS 13 Cb 1.18 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.39 2fs1 h LYS 13 CO -0.29 0.16 0.79 0.93 -2.00 0.00 0.00 179.45 179.04 2fs1 h GLU 14 N -1.00 0.17 0.15 0.07 5.08 0.10 3.28 114.58 122.44 2fs1 h GLU 14 Ca -0.04 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 2fs1 h GLU 14 Cb 0.51 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.73 2fs1 h GLU 14 CO -0.03 0.11 -1.22 0.00 -1.00 0.00 0.00 179.01 176.88 2fs1 h ALA 15 N 1.61 0.02 0.00 3.43 0.00 0.20 -3.11 119.26 121.40 2fs1 h ALA 15 Ca 0.75 -0.90 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2fs1 h ALA 15 Cb 2.24 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 2fs1 h ALA 15 CO -0.38 0.64 -0.23 0.00 0.00 0.00 0.00 179.25 179.28 2fs1 h ALA 16 N 0.05 1.15 -0.09 0.00 0.00 0.18 -2.48 119.26 118.06 2fs1 h ALA 16 Ca -0.24 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 2fs1 h ALA 16 Cb 1.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2fs1 h ALA 16 CO 0.14 0.29 -0.63 0.82 0.00 0.00 0.00 179.25 179.87 2fs1 h ILE 17 N 0.00 1.37 -0.09 0.00 2.04 0.56 -2.57 117.51 118.83 2fs1 h ILE 17 Ca -0.00 -1.99 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 2fs1 h ILE 17 Cb 0.61 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2fs1 h ILE 17 CO 0.03 0.60 -0.16 0.50 0.00 0.00 0.00 178.15 179.12 2fs1 h LYS 18 N 0.25 0.13 0.00 2.37 3.64 -1.37 -1.97 116.57 119.63 2fs1 h LYS 18 Ca -0.01 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.10 2fs1 h LYS 18 Cb 1.16 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2fs1 h LYS 18 CO 0.10 0.30 -0.92 0.93 -2.27 0.00 0.00 179.45 177.59 2fs1 h GLU 19 N 0.13 0.62 -0.48 1.90 3.07 -1.49 -0.89 114.58 117.45 2fs1 h GLU 19 Ca 0.03 -0.67 0.03 0.00 -0.50 0.00 0.00 59.36 58.24 2fs1 h GLU 19 Cb 0.36 0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 2fs1 h GLU 19 CO 0.02 1.27 0.32 1.25 -1.40 0.00 0.00 179.01 180.47 2fs1 h LEU 20 N 0.26 0.46 0.16 1.33 5.85 -1.05 0.88 115.31 123.20 2fs1 h LEU 20 Ca -0.12 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.31 2fs1 h LEU 20 Cb 1.59 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.53 2fs1 h LEU 20 CO 0.18 0.32 -1.34 0.07 -0.34 0.00 0.00 178.44 177.33 2fs1 h LYS 21 N 0.53 0.33 0.00 1.25 2.10 -1.35 -0.07 116.57 119.36 2fs1 h LYS 21 Ca 0.19 -0.56 -0.09 0.00 -2.00 0.00 0.00 60.65 58.19 2fs1 h LYS 21 Cb 0.11 0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 2fs1 h LYS 21 CO -0.05 1.26 -0.44 1.96 -2.00 0.00 0.00 179.45 180.18 2fs1 h GLN 22 N 0.09 0.00 0.15 0.07 7.50 -0.02 -3.13 115.11 119.76 2fs1 h GLN 22 Ca -0.18 0.00 -0.26 0.00 0.50 0.00 0.00 58.65 58.71 2fs1 h GLN 22 Cb 2.02 0.00 0.01 0.00 0.05 0.00 0.00 27.48 29.56 2fs1 h GLN 22 CO 0.21 0.44 -1.25 1.88 -1.50 0.00 0.00 178.83 178.62 2fs1 h TYR 23 N 0.00 0.56 0.00 2.96 0.05 0.74 -3.49 116.97 117.79 2fs1 h TYR 23 Ca -0.00 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.37 2fs1 h TYR 23 Cb 0.82 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.54 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 0.72 3.16 3.88 0.00 -0.07 -5.08 105.19 109.53 2fs1 n GLY 24 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.52 0.00 -2.21 -0.61 5.41 -1.03 -4.88 119.36 114.53 2fs1 n ILE 25 Ca 0.00 -0.19 -0.37 0.00 1.00 0.00 0.00 62.75 63.19 2fs1 n ILE 25 Cb 0.00 -0.48 -0.01 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 -1.74 2.80 0.63 7.39 0.00 -1.26 -4.89 107.32 110.25 2fs1 s GLY 26 Ca 0.48 0.99 0.36 0.00 0.00 0.00 0.00 44.72 46.54 2fs1 s GLY 26 CO 0.58 1.46 2.27 1.29 0.00 0.00 0.00 173.10 178.69 2fs1 h ASP 27 N 2.06 0.00 -0.82 1.64 3.04 -1.96 -2.34 116.42 118.03 2fs1 h ASP 27 Ca -0.49 0.00 0.20 0.00 -3.24 0.00 0.00 57.03 53.49 2fs1 h ASP 27 Cb 1.25 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 39.42 2fs1 h ASP 27 CO 0.60 0.00 0.26 0.22 -2.04 0.00 0.00 179.24 178.29 2fs1 h TYR 28 N 0.00 0.42 0.22 4.15 5.03 -1.99 -1.94 116.97 122.86 2fs1 h TYR 28 Ca 0.01 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 2fs1 h TYR 28 Cb 0.10 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.33 2fs1 h TYR 28 CO 0.00 -0.09 -0.11 1.88 -1.32 0.00 0.00 178.16 178.52 2fs1 h TYR 29 N 0.31 -0.28 -1.56 -3.82 0.05 -1.80 0.55 116.97 110.42 2fs1 h TYR 29 Ca 0.49 -0.01 0.46 0.00 0.05 0.00 0.00 58.73 59.72 2fs1 h TYR 29 Cb 0.91 0.09 -0.07 0.00 1.01 0.00 0.00 36.73 38.67 2fs1 h TYR 29 CO -0.22 0.06 1.11 0.97 -1.05 0.00 0.00 178.16 179.03 2fs1 h ILE 30 N -0.96 0.20 0.02 -2.88 -0.00 -1.60 0.51 117.51 112.80 2fs1 h ILE 30 Ca -0.03 -0.01 -0.14 0.00 -0.00 0.00 0.00 64.86 64.69 2fs1 h ILE 30 Cb 0.46 0.18 -0.01 0.00 -0.00 0.00 0.00 36.82 37.45 2fs1 h ILE 30 CO 0.05 0.00 -0.72 0.11 -0.00 0.00 0.00 178.15 177.59 2fs1 h LYS 31 N 0.02 0.05 0.00 2.19 1.79 -1.29 -3.27 116.57 116.05 2fs1 h LYS 31 Ca 0.76 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 2fs1 h LYS 31 Cb 2.97 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 33.65 2fs1 h LYS 31 CO -0.05 1.04 0.27 1.37 -1.08 0.00 0.00 179.45 181.00 2fs1 h LEU 32 N -0.87 0.00 0.07 2.94 -0.00 0.49 -1.21 115.31 116.73 2fs1 h LEU 32 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2fs1 h LEU 32 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 2fs1 h LEU 32 CO -0.07 0.00 -0.04 0.40 -0.00 0.00 0.00 178.44 178.74 2fs1 h ILE 33 N 0.00 0.52 -0.27 0.15 2.04 -0.85 -3.29 117.51 115.81 2fs1 h ILE 33 Ca 0.00 -1.26 0.08 0.00 1.00 0.00 0.00 64.86 64.68 2fs1 h ILE 33 Cb 0.54 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2fs1 h ILE 33 CO 0.00 0.16 0.47 -1.13 0.00 0.00 0.00 178.15 177.66 2fs1 h ASN 34 N -1.00 0.00 0.70 1.72 -1.24 -1.28 0.28 115.58 114.77 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 0.35 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 2fs1 h ASN 34 CO 0.02 0.00 -0.43 -1.13 -1.29 0.00 0.00 177.43 174.60 2fs1 h ASN 35 N 0.00 0.00 -3.43 1.15 -1.24 -1.55 -3.45 115.58 107.05 2fs1 h ASN 35 Ca 0.13 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.56 2fs1 h ASN 35 Cb 1.07 0.00 0.17 0.00 0.73 0.00 0.00 38.32 40.28 2fs1 h ASN 35 CO -0.00 0.43 -0.02 0.00 -1.29 0.00 0.00 177.43 176.55 2fs1 n ALA 36 N -2.35 -0.19 -0.09 1.57 0.00 0.99 -4.94 120.51 115.50 2fs1 n ALA 36 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 2fs1 n ALA 36 Cb 0.51 -2.03 -0.14 0.00 0.00 0.00 0.00 19.45 17.79 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 -0.82 0.68 0.00 0.00 4.01 -1.26 -4.98 118.16 115.78 2fs1 n LYS 37 Ca 0.13 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 2fs1 n LYS 37 Cb 0.48 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.42 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 -3.11 0.00 0.00 -0.18 -2.24 -1.26 -5.09 114.28 102.39 2fs1 n THR 38 Ca -0.37 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2fs1 n THR 38 Cb 1.06 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.28 2.28 3.14 -1.26 -4.57 118.33 117.64 2fs1 n VAL 39 Ca 0.00 0.00 0.31 0.00 -2.96 0.00 0.00 64.34 61.69 2fs1 n VAL 39 Cb 0.00 -0.45 0.70 0.00 -1.06 0.00 0.00 33.84 33.03 2fs1 n VAL 39 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2fs1 h GLU 40 N 0.00 0.07 0.00 1.45 3.07 -1.98 0.42 114.58 117.61 2fs1 h GLU 40 Ca 0.00 -0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.60 2fs1 h GLU 40 Cb 0.35 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 2fs1 h GLU 40 CO 0.00 0.05 -1.48 0.78 -1.40 0.00 0.00 179.01 176.96 2fs1 h GLY 41 N 0.08 0.00 0.83 -3.84 0.00 -1.97 -3.22 103.07 94.94 2fs1 h GLY 41 Ca 0.53 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.87 2fs1 h GLY 41 CO -0.06 0.00 -0.02 -2.08 0.00 0.00 0.00 176.54 174.38 2fs1 h VAL 42 N 0.00 0.91 0.07 4.60 2.07 -0.42 0.98 116.25 124.45 2fs1 h VAL 42 Ca -0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2fs1 h VAL 42 Cb 1.91 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2fs1 h VAL 42 CO 0.09 0.00 -0.03 1.05 0.02 0.00 0.00 177.57 178.70 2fs1 h GLU 43 N -0.00 -0.09 0.00 1.57 4.11 -1.59 -2.92 114.58 115.67 2fs1 h GLU 43 Ca 0.04 0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 2fs1 h GLU 43 Cb 0.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2fs1 h GLU 43 CO -0.09 0.32 -0.06 0.66 0.07 0.00 0.00 179.01 179.91 2fs1 h SER 44 N -0.51 0.00 0.86 3.06 4.64 -1.55 -2.37 113.55 117.69 2fs1 h SER 44 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2fs1 h SER 44 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2fs1 h SER 44 CO 0.02 0.06 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.48 2fs1 h LEU 45 N 0.00 -1.20 -0.18 5.97 -0.00 0.12 0.27 115.31 120.29 2fs1 h LEU 45 Ca -0.00 0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 57.87 2fs1 h LEU 45 Cb 0.26 0.34 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2fs1 h LEU 45 CO 0.01 -0.77 -0.13 0.50 -0.00 0.00 0.00 178.44 178.04 2fs1 h LYS 46 N -1.25 0.41 -0.10 1.13 3.11 -1.53 -1.19 116.57 117.15 2fs1 h LYS 46 Ca -0.12 -0.20 0.03 0.00 -2.81 0.00 0.00 60.65 57.56 2fs1 h LYS 46 Cb 0.98 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.21 2fs1 h LYS 46 CO 0.15 0.74 0.10 -0.97 -2.81 0.00 0.00 179.45 176.66 2fs1 h ASN 47 N 0.07 0.00 0.35 4.20 -0.73 -1.44 0.77 115.58 118.81 2fs1 h ASN 47 Ca 0.03 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.88 2fs1 h ASN 47 Cb 0.65 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.26 2fs1 h ASN 47 CO 0.04 0.00 -1.45 -0.08 -0.37 0.00 0.00 177.43 175.56 2fs1 h GLU 48 N 0.00 0.47 -0.27 6.67 4.81 -0.21 -2.74 114.58 123.31 2fs1 h GLU 48 Ca 0.05 -0.80 -0.02 0.00 -0.13 0.00 0.00 59.36 58.46 2fs1 h GLU 48 Cb 0.25 0.30 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2fs1 h GLU 48 CO -0.00 1.38 0.06 -0.84 -0.73 0.00 0.00 179.01 178.87 2fs1 h ILE 49 N 0.13 1.13 -0.07 2.32 3.07 0.19 -1.35 117.51 122.93 2fs1 h ILE 49 Ca -0.24 -0.48 -0.15 0.00 1.55 0.00 0.00 64.86 65.55 2fs1 h ILE 49 Cb 2.12 0.87 -0.01 0.00 -0.27 0.00 0.00 36.82 39.53 2fs1 h ILE 49 CO 0.25 0.17 -0.63 -0.07 -1.05 0.00 0.00 178.15 176.82 2fs1 h LEU 50 N 0.38 0.30 -2.38 0.16 3.38 -0.94 -2.35 115.31 113.87 2fs1 h LEU 50 Ca 0.09 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2fs1 h LEU 50 Cb 0.16 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2fs1 h LEU 50 CO -0.00 0.85 0.07 0.50 0.09 0.00 0.00 178.44 179.95 2fs1 h LYS 51 N 0.19 0.00 -1.67 1.13 3.64 -0.92 -3.22 116.57 115.72 2fs1 h LYS 51 Ca -0.01 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.88 2fs1 h LYS 51 Cb 1.14 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.63 2fs1 h LYS 51 CO 0.10 0.00 -0.96 0.00 -2.27 0.00 0.00 179.45 176.32 2fs1 n ALA 52 N -2.33 1.67 0.09 5.00 0.00 -1.02 -5.00 120.51 118.92 2fs1 n ALA 52 Ca -0.01 -2.93 -0.12 0.00 0.00 0.00 0.00 53.44 50.38 2fs1 n ALA 52 Cb 0.16 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 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 4.26 -0.45 -9.43 0.00 5.85 -1.45 -3.43 115.31 110.66 2fs1 h LEU 53 Ca 0.06 0.06 -0.62 0.00 0.84 0.00 0.00 57.88 58.21 2fs1 h LEU 53 Cb 0.92 0.18 0.09 0.00 0.37 0.00 0.00 40.66 42.21 2fs1 h LEU 53 CO 0.41 -0.23 0.34 -2.65 -0.34 0.00 0.00 178.44 175.97 2fs1 n PRO 54 N -5.29 1.44 -2.21 5.25 -0.02 -1.26 -4.84 135.00 128.06 2fs1 n PRO 54 Ca -0.06 0.51 -0.36 0.00 -2.02 0.00 0.00 63.50 61.57 2fs1 n PRO 54 Cb 0.21 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 2fs1 n PRO 54 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2fs1 s THR 55 N -0.31 3.52 0.00 3.45 -4.23 -1.26 -5.18 115.64 111.63 2fs1 s THR 55 Ca 0.69 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 2fs1 s THR 55 Cb -0.77 -4.29 0.00 0.00 1.34 0.00 0.00 72.50 68.78 2fs1 s THR 55 CO 0.53 -1.24 0.00 -1.84 -0.54 0.00 0.00 174.62 171.53