#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ms1 n LYS 3 N 0.00 -4.39 -1.65 -0.52 5.02 -1.26 -4.84 118.16 110.52 3ms1 n LYS 3 Ca 0.00 3.32 -0.47 0.00 -2.02 0.00 0.00 58.31 59.14 3ms1 n LYS 3 Cb 0.00 -4.81 -0.04 0.00 -0.02 0.00 0.00 35.03 30.16 3ms1 n LYS 3 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3ms1 n MET 4 N 1.75 1.87 -3.21 1.97 2.81 -1.26 -4.94 117.12 116.12 3ms1 n MET 4 Ca -0.39 0.67 -0.40 0.00 -1.81 0.00 0.00 57.70 55.77 3ms1 n MET 4 Cb 0.61 -2.36 -0.07 0.00 -0.71 0.00 0.00 33.22 30.69 3ms1 n MET 4 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ms1 s LYS 5 N 0.32 4.18 0.21 0.03 1.02 -1.26 -4.90 119.74 119.34 3ms1 s LYS 5 Ca 0.76 0.46 -0.32 0.00 0.02 0.00 0.00 55.97 56.88 3ms1 s LYS 5 Cb -0.73 -3.58 -0.12 0.00 -0.52 0.00 0.00 37.83 32.88 3ms1 s LYS 5 CO 0.44 -0.20 1.67 0.25 -0.92 0.00 0.00 175.35 176.58 3ms1 n THR 6 N 4.68 0.17 -2.14 2.17 -2.24 -1.26 -4.86 114.28 110.79 3ms1 n THR 6 Ca -0.04 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.37 3ms1 n THR 6 Cb 0.50 -1.87 -0.04 0.00 -2.10 0.00 0.00 70.33 66.82 3ms1 n THR 6 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3ms1 s HIS 7 N 0.91 1.88 0.37 4.78 2.46 -1.26 -4.81 115.29 119.62 3ms1 s HIS 7 Ca 0.74 0.46 0.08 0.00 0.47 0.00 0.00 55.06 56.81 3ms1 s HIS 7 Cb -0.55 -4.18 0.79 0.00 -0.13 0.00 0.00 32.58 28.51 3ms1 s HIS 7 CO 0.36 -1.98 1.93 0.87 -2.47 0.00 0.00 174.74 173.45 3ms1 h LYS 8 N 12.25 0.69 0.00 2.88 1.79 -1.97 0.37 116.57 132.57 3ms1 h LYS 8 Ca -0.04 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3ms1 h LYS 8 Cb 1.06 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 3ms1 h LYS 8 CO 1.24 0.45 -0.01 0.78 -1.08 0.00 0.00 179.45 180.84 3ms1 h GLY 9 N 0.71 0.00 0.23 3.86 0.00 -2.00 -2.50 103.07 103.36 3ms1 h GLY 9 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.31 3ms1 h GLY 9 CO -0.13 0.00 -2.29 0.00 0.00 0.00 0.00 176.54 174.12 3ms1 n ALA 10 N -2.22 1.30 -0.31 3.60 0.00 0.06 -4.41 120.51 118.53 3ms1 n ALA 10 Ca -0.03 -0.98 -0.05 0.00 0.00 0.00 0.00 53.44 52.38 3ms1 n ALA 10 Cb 0.10 -0.32 0.07 0.00 0.00 0.00 0.00 19.45 19.30 3ms1 n ALA 10 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ms1 h LYS 11 N 0.02 1.21 0.00 0.00 3.11 -1.19 -1.72 116.57 118.00 3ms1 h LYS 11 Ca -0.51 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.14 3ms1 h LYS 11 Cb 1.99 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 33.01 3ms1 h LYS 11 CO -0.01 0.94 0.00 1.63 -2.81 0.00 0.00 179.45 179.20 3ms1 n LYS 12 N -4.30 0.21 0.00 1.90 5.02 -0.96 -2.90 118.16 117.13 3ms1 n LYS 12 Ca 0.08 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3ms1 n LYS 12 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3ms1 n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3ms1 n ARG 13 N -1.10 0.00 -3.67 1.97 1.85 -0.88 -5.08 116.66 109.75 3ms1 n ARG 13 Ca 0.05 -0.06 -0.09 0.00 -1.00 0.00 0.00 57.85 56.75 3ms1 n ARG 13 Cb 0.04 -0.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.86 3ms1 n ARG 13 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3ms1 s VAL 14 N 0.00 -0.37 -0.06 8.89 1.01 -0.70 -4.58 120.40 124.60 3ms1 s VAL 14 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.14 3ms1 s VAL 14 Cb 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3ms1 s VAL 14 CO 0.00 0.05 -0.11 -0.75 0.00 0.00 0.00 175.10 174.29 3ms1 s LYS 15 N 2.07 2.60 0.09 2.72 2.20 -0.99 -4.59 119.74 123.86 3ms1 s LYS 15 Ca -0.05 -0.64 -0.22 0.00 -0.36 0.00 0.00 55.97 54.70 3ms1 s LYS 15 Cb -0.10 -2.47 -0.07 0.00 -1.51 0.00 0.00 37.83 33.68 3ms1 s LYS 15 CO -0.13 0.64 0.65 -1.50 -0.36 0.00 0.00 175.35 174.65 3ms1 s ILE 16 N -0.77 4.63 0.88 5.43 2.07 -1.26 -1.43 121.20 130.75 3ms1 s ILE 16 Ca 0.12 1.40 -0.11 0.00 -1.41 0.00 0.00 60.65 60.65 3ms1 s ILE 16 Cb -0.11 -3.99 0.12 0.00 0.13 0.00 0.00 42.46 38.61 3ms1 s ILE 16 CO 0.01 0.52 1.09 0.42 -1.91 0.00 0.00 174.94 175.08 3ms1 s THR 17 N -0.98 2.75 0.44 4.00 -4.23 0.25 -4.93 115.64 112.94 3ms1 s THR 17 Ca 0.32 0.24 0.15 0.00 -1.18 0.00 0.00 61.69 61.22 3ms1 s THR 17 Cb -0.21 -2.65 0.19 0.00 1.34 0.00 0.00 72.50 71.17 3ms1 s THR 17 CO 0.21 -0.32 1.99 0.00 -0.54 0.00 0.00 174.62 175.97 3ms1 h ALA 18 N -1.53 1.66 0.13 3.99 0.00 -1.98 -3.30 119.26 118.24 3ms1 h ALA 18 Ca -0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 3ms1 h ALA 18 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ms1 h ALA 18 CO 0.52 0.23 -0.06 0.66 0.00 0.00 0.00 179.25 180.60 3ms1 h SER 19 N 0.00 -0.15 0.00 0.00 4.64 -2.05 -3.47 113.55 112.52 3ms1 h SER 19 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ms1 h SER 19 Cb 0.33 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3ms1 h SER 19 CO 0.02 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3ms1 n GLY 20 N 0.86 0.00 3.91 -0.77 0.00 -1.24 -5.16 105.19 102.79 3ms1 n GLY 20 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3ms1 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ms1 s LYS 21 N 0.00 3.51 -0.04 1.61 1.02 -1.26 -4.87 119.74 119.71 3ms1 s LYS 21 Ca 0.00 0.20 0.04 0.00 0.02 0.00 0.00 55.97 56.23 3ms1 s LYS 21 Cb 0.00 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 3ms1 s LYS 21 CO 0.00 -0.24 -0.16 0.08 -0.92 0.00 0.00 175.35 174.12 3ms1 s VAL 22 N -2.76 2.96 0.01 3.17 1.01 -1.26 0.85 120.40 124.37 3ms1 s VAL 22 Ca 0.48 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3ms1 s VAL 22 Cb -0.10 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3ms1 s VAL 22 CO 0.45 0.57 -0.09 -0.69 0.00 0.00 0.00 175.10 175.34 3ms1 s VAL 23 N -0.73 0.71 0.14 2.92 1.01 -0.52 -3.81 120.40 120.13 3ms1 s VAL 23 Ca 0.12 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 3ms1 s VAL 23 Cb -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.66 3ms1 s VAL 23 CO 0.01 0.08 0.36 0.00 0.00 0.00 0.00 175.10 175.54 3ms1 s ALA 24 N -0.46 -0.56 0.72 5.51 0.00 -1.15 -2.33 121.76 123.49 3ms1 s ALA 24 Ca 0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 3ms1 s ALA 24 Cb -0.05 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.84 3ms1 s ALA 24 CO 0.00 -0.66 1.15 -1.64 0.00 0.00 0.00 175.76 174.61 3ms1 s MET 25 N -3.87 2.32 0.26 0.00 -1.94 -1.26 -2.07 119.30 112.73 3ms1 s MET 25 Ca 0.08 1.52 -0.30 0.00 -1.71 0.00 0.00 55.69 55.29 3ms1 s MET 25 Cb 0.02 -1.88 -0.10 0.00 2.01 0.00 0.00 34.83 34.89 3ms1 s MET 25 CO -0.07 -1.65 1.36 0.15 -0.01 0.00 0.00 175.02 174.81 3ms1 s LYS 26 N -4.17 4.33 0.63 2.03 -0.14 -1.24 -4.86 119.74 116.32 3ms1 s LYS 26 Ca 0.69 2.20 -0.11 0.00 -1.36 0.00 0.00 55.97 57.39 3ms1 s LYS 26 Cb -0.24 -3.12 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 3ms1 s LYS 26 CO 0.46 -0.30 1.04 0.95 -0.76 0.00 0.00 175.35 176.74 3ms1 s THR 27 N -0.29 4.55 -0.30 2.17 -4.23 -1.26 -4.68 115.64 111.60 3ms1 s THR 27 Ca 0.56 0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 61.88 3ms1 s THR 27 Cb -0.40 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.63 3ms1 s THR 27 CO 0.44 -1.08 0.02 0.61 -0.54 0.00 0.00 174.62 174.07 3ms1 n GLY 28 N -2.78 -4.38 0.00 3.99 0.00 -1.26 -4.99 105.19 95.77 3ms1 n GLY 28 Ca 0.06 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.65 3ms1 n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ms1 n LYS 29 N 0.79 0.00 -0.12 1.61 4.81 -1.26 -4.97 118.16 119.02 3ms1 n LYS 29 Ca -0.03 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.22 3ms1 n LYS 29 Cb 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.00 3ms1 n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3ms1 n ARG 30 N 0.00 0.60 -0.07 1.64 5.12 -1.26 -4.74 116.66 117.95 3ms1 n ARG 30 Ca 0.00 0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 55.96 3ms1 n ARG 30 Cb 0.04 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 29.83 3ms1 n ARG 30 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 3ms1 n HIS 31 N -3.40 0.00 0.03 -1.55 -0.00 -1.26 -4.59 115.22 104.46 3ms1 n HIS 31 Ca -0.45 0.00 0.22 0.00 0.46 0.00 0.00 57.72 57.95 3ms1 n HIS 31 Cb 0.94 -0.50 0.70 0.00 -0.12 0.00 0.00 29.99 31.01 3ms1 n HIS 31 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 3ms1 h LEU 32 N -0.72 0.00 -9.57 0.27 -0.00 -1.94 -3.43 115.31 99.92 3ms1 h LEU 32 Ca -0.20 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.10 3ms1 h LEU 32 Cb 1.01 0.00 0.17 0.00 -0.00 0.00 0.00 40.66 41.83 3ms1 h LEU 32 CO -0.12 0.00 -0.26 -3.20 -0.00 0.00 0.00 178.44 174.86 3ms1 n ASN 33 N -3.66 -0.54 0.00 0.17 4.05 -1.26 -4.82 115.26 109.20 3ms1 n ASN 33 Ca 0.10 0.78 0.00 0.00 0.45 0.00 0.00 54.58 55.91 3ms1 n ASN 33 Cb 0.77 -1.22 0.00 0.00 1.23 0.00 0.00 39.78 40.56 3ms1 n ASN 33 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 177.26 171.54 3ms1 n TRP 34 N -1.59 -0.23 0.00 1.20 4.27 -1.26 -5.02 117.44 114.81 3ms1 n TRP 34 Ca 0.12 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.73 3ms1 n TRP 34 Cb 0.47 0.05 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 3ms1 n TRP 34 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 3ms1 n GLN 35 N -1.23 0.00 -3.21 -2.67 7.27 -1.26 -5.17 117.38 111.11 3ms1 n GLN 35 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 3ms1 n GLN 35 Cb 0.00 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.65 3ms1 n GLN 35 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3ms1 s LYS 36 N 0.00 3.39 0.37 3.69 1.02 -1.26 -5.04 119.74 121.91 3ms1 s LYS 36 Ca 0.00 -0.32 -0.27 0.00 0.02 0.00 0.00 55.97 55.40 3ms1 s LYS 36 Cb 0.00 -2.61 -0.11 0.00 -0.52 0.00 0.00 37.83 34.59 3ms1 s LYS 36 CO 0.00 0.01 1.30 -1.13 -0.92 0.00 0.00 175.35 174.61 3ms1 n SER 37 N -1.91 2.79 0.20 2.83 3.41 -1.26 -4.81 113.62 114.87 3ms1 n SER 37 Ca -0.03 1.17 0.18 0.00 -0.26 0.00 0.00 58.87 59.94 3ms1 n SER 37 Cb 0.56 -1.50 0.77 0.00 -0.26 0.00 0.00 64.21 63.79 3ms1 n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ms1 h GLY 38 N 2.42 0.00 0.69 5.00 0.00 -2.00 0.29 103.07 109.47 3ms1 h GLY 38 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3ms1 h GLY 38 CO 0.62 0.00 -0.16 1.70 0.00 0.00 0.00 176.54 178.70 3ms1 h LYS 39 N 0.00 -0.42 -0.03 4.80 3.64 -1.99 -2.81 116.57 119.76 3ms1 h LYS 39 Ca 0.11 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3ms1 h LYS 39 Cb 0.89 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 3ms1 h LYS 39 CO -0.00 -0.11 -0.38 0.93 -2.27 0.00 0.00 179.45 177.62 3ms1 h GLU 40 N -0.75 -0.43 -0.81 1.90 4.39 -1.28 0.64 114.58 118.24 3ms1 h GLU 40 Ca -0.04 0.03 0.21 0.00 0.34 0.00 0.00 59.36 59.90 3ms1 h GLU 40 Cb 0.50 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 3ms1 h GLU 40 CO 0.07 -0.29 0.56 -0.84 -1.16 0.00 0.00 179.01 177.36 3ms1 h ILE 41 N -0.45 0.65 0.20 3.13 3.07 -1.63 0.20 117.51 122.67 3ms1 h ILE 41 Ca 0.01 -0.05 -0.27 0.00 1.55 0.00 0.00 64.86 66.10 3ms1 h ILE 41 Cb 0.49 0.48 0.03 0.00 -0.27 0.00 0.00 36.82 37.55 3ms1 h ILE 41 CO -0.27 0.03 -1.18 -0.09 -1.05 0.00 0.00 178.15 175.59 3ms1 h ARG 42 N 0.16 0.45 -0.22 0.16 2.43 -0.98 -3.05 114.38 113.33 3ms1 h ARG 42 Ca 0.40 -0.75 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3ms1 h ARG 42 Cb 1.33 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 31.14 3ms1 h ARG 42 CO -0.07 1.36 0.13 1.96 -1.51 0.00 0.00 179.97 181.84 3ms1 h GLN 43 N -0.06 0.29 0.00 0.20 1.08 0.25 -0.64 115.11 116.22 3ms1 h GLN 43 Ca -0.20 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3ms1 h GLN 43 Cb 1.93 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.30 3ms1 h GLN 43 CO 0.22 0.21 -0.03 1.63 -0.95 0.00 0.00 178.83 179.91 3ms1 n LYS 44 N -4.49 0.03 0.10 1.46 4.76 0.47 -3.67 118.16 116.82 3ms1 n LYS 44 Ca 0.00 0.02 -0.05 0.00 -2.87 0.00 0.00 58.31 55.42 3ms1 n LYS 44 Cb 0.09 -1.53 0.11 0.00 -1.84 0.00 0.00 35.03 31.85 3ms1 n LYS 44 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3ms1 h GLY 45 N 4.94 0.18 -3.76 0.72 0.00 -1.00 -3.35 103.07 100.81 3ms1 h GLY 45 Ca 0.00 -0.24 -0.55 0.00 0.00 0.00 0.00 47.33 46.54 3ms1 h GLY 45 CO 0.00 0.22 -0.18 1.09 0.00 0.00 0.00 176.54 177.67 3ms1 s ARG 46 N -3.61 3.73 0.23 4.80 1.70 -1.24 -4.85 118.95 119.71 3ms1 s ARG 46 Ca -0.03 0.14 -0.04 0.00 -0.47 0.00 0.00 55.73 55.33 3ms1 s ARG 46 Cb 0.12 -2.71 0.05 0.00 -0.57 0.00 0.00 34.95 31.85 3ms1 s ARG 46 CO 0.79 0.35 0.31 1.63 -1.08 0.00 0.00 175.30 177.30 3ms1 n LYS 47 N -0.15 -0.37 -3.81 3.89 5.02 -1.26 -3.61 118.16 117.88 3ms1 n LYS 47 Ca -0.01 -0.48 -0.05 0.00 -2.02 0.00 0.00 58.31 55.76 3ms1 n LYS 47 Cb 0.52 -0.32 -0.02 0.00 -0.02 0.00 0.00 35.03 35.19 3ms1 n LYS 47 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3ms1 s PHE 48 N -1.67 -0.15 0.47 2.13 -0.12 -0.88 -4.87 117.98 112.89 3ms1 s PHE 48 Ca 0.18 -0.24 0.02 0.00 -0.05 0.00 0.00 56.93 56.84 3ms1 s PHE 48 Cb -0.01 0.68 0.01 0.00 -0.63 0.00 0.00 43.02 43.07 3ms1 s PHE 48 CO 0.12 -1.03 0.67 0.08 -0.05 0.00 0.00 175.22 175.01 3ms1 s VAL 49 N -3.55 3.40 0.00 -2.49 1.01 -1.26 -2.93 120.40 114.58 3ms1 s VAL 49 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3ms1 s VAL 49 Cb -0.04 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3ms1 s VAL 49 CO 0.05 -0.15 0.00 0.18 0.00 0.00 0.00 175.10 175.18 3ms1 n LEU 50 N -2.09 0.00 0.00 3.92 4.77 -1.25 -5.00 117.00 117.35 3ms1 n LEU 50 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3ms1 n LEU 50 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3ms1 n LEU 50 CO 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.51 3ms1 n ALA 51 N -3.00 0.00 0.11 -1.18 0.00 -1.26 -4.92 120.51 110.26 3ms1 n ALA 51 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3ms1 n ALA 51 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3ms1 n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ms1 h LYS 52 N 0.00 -0.29 0.00 0.00 6.56 -2.03 -3.11 116.57 117.71 3ms1 h LYS 52 Ca 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 3ms1 h LYS 52 Cb 0.00 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 3ms1 h LYS 52 CO 0.00 0.06 0.02 -0.35 -2.06 0.00 0.00 179.45 177.12 3ms1 n PRO 53 N -5.06 0.00 -0.18 3.15 -0.04 -1.26 -0.44 135.00 131.17 3ms1 n PRO 53 Ca -0.09 0.46 -0.03 0.00 -0.04 0.00 0.00 63.50 63.80 3ms1 n PRO 53 Cb 0.25 -1.52 0.07 0.00 -0.04 0.00 0.00 33.50 32.25 3ms1 n PRO 53 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ms1 h GLU 54 N 0.00 0.46 -0.77 0.54 5.08 -1.90 -0.86 114.58 117.13 3ms1 h GLU 54 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ms1 h GLU 54 Cb 0.05 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3ms1 h GLU 54 CO 0.00 0.31 0.40 0.00 -1.00 0.00 0.00 179.01 178.72 3ms1 h ALA 55 N 1.32 1.26 0.22 3.43 0.00 -0.94 -2.02 119.26 122.52 3ms1 h ALA 55 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ms1 h ALA 55 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ms1 h ALA 55 CO -0.20 0.59 -0.22 0.93 0.00 0.00 0.00 179.25 180.35 3ms1 h GLU 56 N 1.08 -0.45 0.00 0.00 5.08 -1.32 -2.50 114.58 116.47 3ms1 h GLU 56 Ca 0.27 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3ms1 h GLU 56 Cb 0.06 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3ms1 h GLU 56 CO -0.04 -0.30 0.00 0.00 -1.00 0.00 0.00 179.01 177.67 3ms1 h ARG 57 N -0.47 0.00 -0.34 2.33 3.08 -1.02 -2.12 114.38 115.84 3ms1 h ARG 57 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3ms1 h ARG 57 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3ms1 h ARG 57 CO -0.05 0.00 -0.03 0.82 -1.07 0.00 0.00 179.97 179.64 3ms1 h ILE 58 N 0.00 1.27 0.00 2.04 1.08 -0.93 -3.08 117.51 117.89 3ms1 h ILE 58 Ca 0.00 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 3ms1 h ILE 58 Cb 0.42 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 3ms1 h ILE 58 CO 0.00 0.34 0.00 0.29 -0.69 0.00 0.00 178.15 178.09 3ms1 n LYS 59 N -4.48 0.41 0.00 2.37 4.76 -0.79 -3.04 118.16 117.38 3ms1 n LYS 59 Ca -0.02 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.40 3ms1 n LYS 59 Cb 0.29 -1.10 -0.01 0.00 -1.84 0.00 0.00 35.03 32.38 3ms1 n LYS 59 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3ms1 n LEU 60 N -0.12 1.05 -0.75 -0.35 4.77 -1.16 -4.69 117.00 115.76 3ms1 n LEU 60 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3ms1 n LEU 60 Cb 0.05 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3ms1 n LEU 60 CO 0.00 -0.57 0.27 0.18 -1.33 0.00 0.00 177.39 175.94 3ms1 n LEU 61 N -3.50 1.44 0.11 2.23 4.77 -1.17 -4.12 117.00 116.76 3ms1 n LEU 61 Ca -0.04 -0.72 -0.13 0.00 -0.03 0.00 0.00 56.01 55.09 3ms1 n LEU 61 Cb 0.13 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 3ms1 n LEU 61 CO 0.05 0.27 0.66 -0.07 -1.33 0.00 0.00 177.39 176.97 3ms1 h LEU 62 N 0.78 -0.89 -1.97 2.23 3.38 -1.82 -0.66 115.31 116.37 3ms1 h LEU 62 Ca 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ms1 h LEU 62 Cb 0.54 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3ms1 h LEU 62 CO 0.00 -0.40 -0.03 -0.65 0.09 0.00 0.00 178.44 177.45 3ms1 h PRO 63 N -0.53 0.00 0.00 1.13 0.11 -1.91 -3.52 132.00 127.28 3ms1 h PRO 63 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3ms1 h PRO 63 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3ms1 h PRO 63 CO -0.19 0.03 0.00 0.98 -0.21 0.00 0.00 178.00 178.61