#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mit n SER 1 N 0.00 0.00 -4.53 1.61 3.41 -1.26 -5.06 113.62 107.79 1mit n SER 1 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1mit n SER 1 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1mit n SER 1 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1mit s SER 2 N -0.63 5.48 0.89 4.04 1.04 -1.26 -5.00 113.70 118.27 1mit s SER 2 Ca 0.00 -0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.21 1mit s SER 2 Cb 0.00 -1.98 0.16 0.00 0.10 0.00 0.00 66.02 64.29 1mit s SER 2 CO 0.00 0.01 1.25 0.00 0.98 0.00 0.00 173.24 175.48 1mit n PRO 4 N -3.54 1.25 0.00 0.00 -0.02 -1.26 -4.65 135.00 126.78 1mit n PRO 4 Ca 0.13 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1mit n PRO 4 Cb 0.60 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1mit n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mit n GLY 5 N 1.01 -0.34 3.65 -1.23 0.00 -1.26 -4.86 105.19 102.16 1mit n GLY 5 Ca 0.13 -1.77 -0.54 0.00 0.00 0.00 0.00 46.02 43.84 1mit n GLY 5 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mit n LYS 6 N -0.31 1.24 0.03 1.61 4.81 -1.25 -4.83 118.16 119.45 1mit n LYS 6 Ca 0.00 0.45 0.11 0.00 -0.87 0.00 0.00 58.31 58.00 1mit n LYS 6 Cb 0.00 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 32.93 1mit n LYS 6 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1mit n SER 7 N 4.06 0.59 -3.64 3.14 7.64 -1.26 -4.80 113.62 119.36 1mit n SER 7 Ca 0.22 -0.19 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 1mit n SER 7 Cb 0.17 0.87 -0.07 0.00 -1.01 0.00 0.00 64.21 64.17 1mit n SER 7 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1mit s SER 8 N -4.03 -0.75 0.32 6.43 1.04 -1.25 -1.96 113.70 113.49 1mit s SER 8 Ca 0.03 1.43 0.05 0.00 0.48 0.00 0.00 55.95 57.93 1mit s SER 8 Cb 0.14 1.43 -0.02 0.00 0.10 0.00 0.00 66.02 67.68 1mit s SER 8 CO 0.81 -0.24 0.47 0.26 0.98 0.00 0.00 173.24 175.51 1mit s TRP 9 N 0.50 3.25 0.00 5.02 0.51 0.37 -4.89 118.94 123.71 1mit s TRP 9 Ca -0.01 -0.07 0.00 0.00 -2.12 0.00 0.00 56.10 53.90 1mit s TRP 9 Cb -0.05 -1.90 0.00 0.00 -0.81 0.00 0.00 33.47 30.71 1mit s TRP 9 CO -0.01 0.09 0.00 -0.35 -0.51 0.00 0.00 176.95 176.16 1mit n PRO 10 N -1.64 0.00 -3.23 4.98 -0.04 -1.26 -4.54 135.00 129.28 1mit n PRO 10 Ca -0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 1mit n PRO 10 Cb 0.58 -0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 1mit n PRO 10 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1mit s HIS 11 N 0.00 0.17 -2.16 0.54 2.46 -1.26 -4.79 115.29 110.24 1mit s HIS 11 Ca 0.00 -1.62 0.18 0.00 0.47 0.00 0.00 55.06 54.08 1mit s HIS 11 Cb 0.00 -0.52 0.53 0.00 -0.13 0.00 0.00 32.58 32.45 1mit s HIS 11 CO 0.00 -0.97 1.42 1.28 -2.47 0.00 0.00 174.74 174.00 1mit n LEU 12 N 3.14 2.30 -4.70 8.88 4.77 -1.26 -4.89 117.00 125.23 1mit n LEU 12 Ca 0.23 -1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 54.73 1mit n LEU 12 Cb 0.49 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1mit n LEU 12 CO 0.06 0.53 1.16 -0.69 -1.33 0.00 0.00 177.39 177.13 1mit s VAL 13 N -1.55 3.20 0.00 4.08 1.01 -1.25 -1.53 120.40 124.36 1mit s VAL 13 Ca 0.32 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1mit s VAL 13 Cb 0.17 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1mit s VAL 13 CO 0.24 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1mit n GLY 14 N 3.68 0.76 1.41 4.51 0.00 -0.99 -4.84 105.19 109.72 1mit n GLY 14 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1mit n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mit n VAL 15 N -2.00 1.59 -0.24 1.61 0.31 -0.58 -4.85 118.33 114.18 1mit n VAL 15 Ca 0.00 -1.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.33 1mit n VAL 15 Cb 0.00 0.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1mit n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mit n GLY 16 N 0.97 -3.49 0.44 2.92 0.00 -1.26 -3.74 105.19 101.02 1mit n GLY 16 Ca 0.22 -0.93 0.25 0.00 0.00 0.00 0.00 46.02 45.55 1mit n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mit h GLY 17 N 0.36 0.36 0.42 -0.02 0.00 -1.92 -1.26 103.07 101.01 1mit h GLY 17 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1mit h GLY 17 CO 0.00 -0.01 -0.20 1.48 0.00 0.00 0.00 176.54 177.81 1mit h SER 18 N 0.16 -0.48 -0.61 0.19 4.64 -1.99 0.29 113.55 115.75 1mit h SER 18 Ca 0.44 0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.90 1mit h SER 18 Cb 1.48 0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 63.59 1mit h SER 18 CO -0.08 -0.32 0.03 0.58 -0.87 0.00 0.00 176.83 176.17 1mit h VAL 19 N -0.60 0.52 -0.67 0.95 2.07 -1.49 0.16 116.25 117.20 1mit h VAL 19 Ca -0.06 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1mit h VAL 19 Cb 0.43 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1mit h VAL 19 CO 0.09 0.03 0.37 0.00 0.02 0.00 0.00 177.57 178.08 1mit h ALA 20 N 1.54 0.91 -0.18 1.67 0.00 -1.17 -1.48 119.26 120.55 1mit h ALA 20 Ca 0.32 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1mit h ALA 20 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1mit h ALA 20 CO -0.50 0.04 0.12 -0.22 0.00 0.00 0.00 179.25 178.69 1mit h LYS 21 N 0.68 0.24 -0.70 0.00 3.64 0.23 -1.58 116.57 119.08 1mit h LYS 21 Ca 0.30 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.79 1mit h LYS 21 Cb 0.20 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1mit h LYS 21 CO -0.19 0.17 0.47 0.00 -2.27 0.00 0.00 179.45 177.62 1mit h ALA 22 N 1.06 2.00 -0.36 5.00 0.00 -0.29 -0.75 119.26 125.92 1mit h ALA 22 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1mit h ALA 22 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mit h ALA 22 CO -0.01 -0.17 -0.03 0.82 0.00 0.00 0.00 179.25 179.86 1mit h ILE 23 N 0.48 1.27 -0.71 0.00 2.04 -0.34 0.72 117.51 120.96 1mit h ILE 23 Ca 0.33 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1mit h ILE 23 Cb 0.64 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1mit h ILE 23 CO -0.11 0.35 0.39 0.40 0.00 0.00 0.00 178.15 179.19 1mit h ILE 24 N 0.46 1.21 -0.04 -0.67 2.04 -0.51 1.33 117.51 121.33 1mit h ILE 24 Ca 0.10 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 1mit h ILE 24 Cb 0.51 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1mit h ILE 24 CO 0.03 0.23 -0.30 -0.33 0.00 0.00 0.00 178.15 177.77 1mit h GLU 25 N 0.99 0.28 0.00 2.37 5.08 -1.13 0.21 114.58 122.38 1mit h GLU 25 Ca 0.25 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1mit h GLU 25 Cb 0.02 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1mit h GLU 25 CO -0.04 0.91 0.00 0.00 -1.00 0.00 0.00 179.01 178.88 1mit h ARG 26 N -0.26 0.00 0.03 2.33 3.08 -0.61 -2.73 114.38 116.22 1mit h ARG 26 Ca -0.03 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.72 1mit h ARG 26 Cb 0.98 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.99 1mit h ARG 26 CO 0.06 0.00 -1.77 1.04 -1.07 0.00 0.00 179.97 178.23 1mit n GLN 27 N -3.02 0.66 -3.31 0.04 1.13 0.45 -4.76 117.38 108.57 1mit n GLN 27 Ca 0.02 0.29 -0.11 0.00 -1.94 0.00 0.00 57.00 55.26 1mit n GLN 27 Cb 0.41 -1.78 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 1mit n GLN 27 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1mit s ASN 28 N -6.32 0.29 0.00 1.08 3.84 0.73 -3.92 114.94 110.64 1mit s ASN 28 Ca -0.09 -1.29 0.00 0.00 0.21 0.00 0.00 52.86 51.69 1mit s ASN 28 Cb 0.08 1.02 0.00 0.00 -0.55 0.00 0.00 41.25 41.80 1mit s ASN 28 CO 0.81 -0.23 0.96 -2.65 -2.79 0.00 0.00 177.10 173.20 1mit n PRO 29 N 4.34 0.00 -0.04 0.43 -0.02 -1.04 -0.20 135.00 138.48 1mit n PRO 29 Ca 0.11 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1mit n PRO 29 Cb 0.49 -1.52 0.25 0.00 -0.02 0.00 0.00 33.50 32.70 1mit n PRO 29 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1mit n ASN 30 N -1.46 2.59 -4.18 2.55 4.13 -1.26 -4.88 115.26 112.75 1mit n ASN 30 Ca 0.00 -1.85 -0.27 0.00 1.68 0.00 0.00 54.58 54.14 1mit n ASN 30 Cb 0.02 -0.05 -0.16 0.00 -1.54 0.00 0.00 39.78 38.05 1mit n ASN 30 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1mit s VAL 31 N -1.90 1.57 0.23 2.41 -7.23 0.72 -4.55 120.40 111.65 1mit s VAL 31 Ca 0.33 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.53 1mit s VAL 31 Cb 0.20 -1.33 -0.08 0.00 0.56 0.00 0.00 36.38 35.73 1mit s VAL 31 CO 0.31 0.45 0.65 -0.75 -0.31 0.00 0.00 175.10 175.45 1mit s LYS 32 N -0.17 4.03 -0.47 4.82 2.47 -0.35 -4.50 119.74 125.57 1mit s LYS 32 Ca 0.00 0.61 -0.18 0.00 -1.56 0.00 0.00 55.97 54.85 1mit s LYS 32 Cb -0.10 -2.72 0.05 0.00 -1.46 0.00 0.00 37.83 33.59 1mit s LYS 32 CO 0.01 0.33 0.51 0.00 0.16 0.00 0.00 175.35 176.37 1mit s ALA 33 N -1.69 3.44 0.22 3.13 0.00 -1.26 0.17 121.76 125.76 1mit s ALA 33 Ca 0.46 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1mit s ALA 33 Cb -0.13 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1mit s ALA 33 CO 0.19 -1.80 0.41 0.08 0.00 0.00 0.00 175.76 174.65 1mit s VAL 34 N 2.26 5.19 -0.29 0.00 1.01 -0.06 -4.92 120.40 123.59 1mit s VAL 34 Ca 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1mit s VAL 34 Cb -0.19 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.54 1mit s VAL 34 CO 0.12 -0.21 0.13 -0.63 0.00 0.00 0.00 175.10 174.51 1mit s ILE 35 N -1.91 -0.08 0.10 2.22 1.01 -1.22 0.74 121.20 122.06 1mit s ILE 35 Ca 0.39 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.38 1mit s ILE 35 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1mit s ILE 35 CO 0.29 -0.71 -0.20 -0.76 0.00 0.00 0.00 174.94 173.57 1mit s LEU 36 N 2.11 2.30 0.19 2.97 1.43 0.41 -4.96 118.68 123.13 1mit s LEU 36 Ca 0.09 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 1mit s LEU 36 Cb -0.16 -0.81 -0.09 0.00 0.03 0.00 0.00 46.19 45.16 1mit s LEU 36 CO -0.36 0.03 1.37 -1.61 0.23 0.00 0.00 176.35 176.01 1mit s GLU 37 N -1.93 4.34 -0.94 1.70 2.02 -1.26 -1.63 118.70 121.00 1mit s GLU 37 Ca 0.05 2.13 -0.21 0.00 0.02 0.00 0.00 54.97 56.96 1mit s GLU 37 Cb -0.10 -3.19 -0.25 0.00 0.10 0.00 0.00 34.13 30.70 1mit s GLU 37 CO 0.04 -0.35 2.43 -1.91 0.02 0.00 0.00 175.26 175.50 1mit n GLU 38 N 2.92 0.14 0.00 1.61 2.13 -0.46 0.07 120.64 127.04 1mit n GLU 38 Ca 0.08 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1mit n GLU 38 Cb 0.42 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1mit n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mit n GLY 39 N 6.08 0.85 3.53 8.31 0.00 -1.26 -4.94 105.19 117.77 1mit n GLY 39 Ca 0.63 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 46.13 1mit n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mit n THR 40 N 0.00 0.27 -1.55 2.61 -1.04 0.11 -4.75 114.28 109.94 1mit n THR 40 Ca 0.00 -0.19 -0.25 0.00 -2.04 0.00 0.00 64.05 61.57 1mit n THR 40 Cb 0.00 -1.59 -0.07 0.00 -1.82 0.00 0.00 70.33 66.85 1mit n THR 40 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1mit n PRO 41 N 7.39 0.66 -1.70 -2.82 -0.02 -1.26 -4.89 135.00 132.36 1mit n PRO 41 Ca 0.35 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1mit n PRO 41 Cb 0.22 -3.21 0.00 0.00 -0.02 0.00 0.00 33.50 30.49 1mit n PRO 41 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1mit n VAL 42 N 8.11 0.00 -0.80 -1.45 0.24 -1.26 -5.13 118.33 118.04 1mit n VAL 42 Ca 0.46 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.46 1mit n VAL 42 Cb 0.42 -0.21 0.27 0.00 -1.47 0.00 0.00 33.84 32.85 1mit n VAL 42 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1mit s THR 43 N -0.49 1.38 -0.17 3.34 2.01 -1.26 -5.00 115.64 115.44 1mit s THR 43 Ca 0.00 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.04 1mit s THR 43 Cb 0.00 -2.33 -0.13 0.00 0.01 0.00 0.00 72.50 70.04 1mit s THR 43 CO 0.00 0.00 -0.11 1.17 -0.69 0.00 0.00 174.62 174.99 1mit n LYS 44 N -5.17 0.74 -2.52 4.92 0.00 -1.26 -4.96 118.16 109.91 1mit n LYS 44 Ca 0.14 0.08 -0.41 0.00 0.00 0.00 0.00 58.31 58.12 1mit n LYS 44 Cb 0.60 -1.36 -0.04 0.00 0.00 0.00 0.00 35.03 34.23 1mit n LYS 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1mit s ASP 45 N -5.52 7.27 0.07 3.14 1.11 -1.26 -5.04 116.67 116.44 1mit s ASP 45 Ca -0.20 2.10 0.02 0.00 0.18 0.00 0.00 52.55 54.65 1mit s ASP 45 Cb 0.06 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 1mit s ASP 45 CO 0.46 -0.21 0.12 -0.36 1.18 0.00 0.00 175.17 176.36 1mit s PHE 46 N -0.34 3.29 -0.07 4.23 0.08 -1.26 -5.11 117.98 118.80 1mit s PHE 46 Ca 0.49 0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.71 1mit s PHE 46 Cb -0.30 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 1mit s PHE 46 CO 0.35 0.54 -0.20 1.03 -0.10 0.00 0.00 175.22 176.85 1mit s ARG 47 N -2.38 2.72 0.00 0.44 0.52 -1.26 -4.93 118.95 114.06 1mit s ARG 47 Ca 0.30 -0.80 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 1mit s ARG 47 Cb -0.12 -2.32 0.28 0.00 0.52 0.00 0.00 34.95 33.31 1mit s ARG 47 CO 0.23 0.41 1.02 0.00 0.02 0.00 0.00 175.30 176.99 1mit n ASN 49 N -1.29 3.73 -3.29 0.00 2.04 -1.26 -4.77 115.26 110.41 1mit n ASN 49 Ca 0.03 -3.47 -0.08 0.00 -0.44 0.00 0.00 54.58 50.61 1mit n ASN 49 Cb 0.05 -0.72 -0.05 0.00 -2.53 0.00 0.00 39.78 36.52 1mit n ASN 49 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1mit s ARG 50 N -3.14 0.46 -0.65 -3.83 0.52 -0.40 -1.21 118.95 110.70 1mit s ARG 50 Ca 0.51 0.08 -0.28 0.00 -0.52 0.00 0.00 55.73 55.52 1mit s ARG 50 Cb 0.43 -0.28 0.03 0.00 0.52 0.00 0.00 34.95 35.65 1mit s ARG 50 CO 0.08 -1.06 1.26 0.08 0.02 0.00 0.00 175.30 175.69 1mit s VAL 51 N 2.46 3.86 -0.74 3.52 1.01 0.13 -4.67 120.40 125.96 1mit s VAL 51 Ca 0.10 0.66 -0.27 0.00 0.00 0.00 0.00 61.98 62.47 1mit s VAL 51 Cb -0.12 -4.77 0.03 0.00 0.00 0.00 0.00 36.38 31.51 1mit s VAL 51 CO -0.27 -1.55 1.31 -0.60 0.00 0.00 0.00 175.10 174.00 1mit s ARG 52 N 5.38 3.18 0.13 2.72 6.06 -1.26 -0.88 118.95 134.28 1mit s ARG 52 Ca 0.41 -0.23 -0.19 0.00 -2.50 0.00 0.00 55.73 53.22 1mit s ARG 52 Cb -0.08 -4.23 -0.07 0.00 0.06 0.00 0.00 34.95 30.63 1mit s ARG 52 CO 0.21 -2.18 0.61 0.42 -2.50 0.00 0.00 175.30 171.86 1mit s ILE 53 N 5.88 4.70 0.21 4.11 1.01 0.23 -4.44 121.20 132.89 1mit s ILE 53 Ca 0.37 1.17 0.04 0.00 0.00 0.00 0.00 60.65 62.23 1mit s ILE 53 Cb -0.08 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1mit s ILE 53 CO 0.14 0.39 -0.04 0.26 0.00 0.00 0.00 174.94 175.69 1mit s TRP 54 N -1.30 1.53 -0.12 3.97 0.52 -0.87 -0.44 118.94 122.22 1mit s TRP 54 Ca 0.35 -0.84 0.03 0.00 0.02 0.00 0.00 56.10 55.66 1mit s TRP 54 Cb -0.18 -0.85 0.00 0.00 -1.15 0.00 0.00 33.47 31.29 1mit s TRP 54 CO 0.20 0.04 -0.21 0.14 0.02 0.00 0.00 176.95 177.14 1mit s VAL 55 N -3.33 2.24 0.09 4.03 -7.23 -0.64 0.28 120.40 115.83 1mit s VAL 55 Ca 0.25 -0.94 -0.25 0.00 -1.81 0.00 0.00 61.98 59.23 1mit s VAL 55 Cb 0.04 -1.89 -0.06 0.00 0.56 0.00 0.00 36.38 35.03 1mit s VAL 55 CO 0.07 0.55 0.77 0.54 -0.31 0.00 0.00 175.10 176.72 1mit s ASN 56 N 0.54 7.28 0.62 4.85 4.22 -0.13 -1.35 114.94 130.97 1mit s ASN 56 Ca -0.13 1.53 0.22 0.00 -2.14 0.00 0.00 52.86 52.34 1mit s ASN 56 Cb -0.17 -2.48 0.91 0.00 1.28 0.00 0.00 41.25 40.79 1mit s ASN 56 CO 0.04 0.09 1.40 0.07 -2.04 0.00 0.00 177.10 176.67 1mit h LYS 57 N 5.13 0.00 0.00 3.55 2.10 -1.92 0.55 116.57 125.98 1mit h LYS 57 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1mit h LYS 57 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1mit h LYS 57 CO 0.69 0.00 0.05 0.54 -2.00 0.00 0.00 179.45 178.72 1mit n ARG 58 N -3.16 0.00 -1.55 0.07 5.12 -1.26 -4.69 116.66 111.19 1mit n ARG 58 Ca 0.14 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 1mit n ARG 58 Cb 1.18 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 1mit n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mit n GLY 59 N -1.16 0.95 3.26 -0.13 0.00 0.19 -5.08 105.19 103.22 1mit n GLY 59 Ca 0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 1mit n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mit s LEU 60 N -0.42 1.43 -0.41 0.99 1.02 -0.99 -4.99 118.68 115.30 1mit s LEU 60 Ca 0.00 -1.45 -0.09 0.00 0.02 0.00 0.00 54.13 52.61 1mit s LEU 60 Cb 0.00 0.26 0.08 0.00 0.02 0.00 0.00 46.19 46.55 1mit s LEU 60 CO 0.00 -0.84 0.25 -0.69 0.02 0.00 0.00 176.35 175.09 1mit s VAL 61 N -3.88 4.17 -1.13 -1.59 1.01 -1.26 -0.96 120.40 116.76 1mit s VAL 61 Ca 0.38 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 1mit s VAL 61 Cb 0.06 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 33.01 1mit s VAL 61 CO 0.15 -0.49 1.44 0.68 0.00 0.00 0.00 175.10 176.88 1mit s VAL 62 N 1.42 4.51 -0.50 2.92 -7.23 0.81 -2.35 120.40 119.97 1mit s VAL 62 Ca 0.03 -1.84 -0.22 0.00 -1.81 0.00 0.00 61.98 58.14 1mit s VAL 62 Cb -0.23 -4.98 0.04 0.00 0.56 0.00 0.00 36.38 31.77 1mit s VAL 62 CO 0.02 -1.76 0.76 -0.44 -0.31 0.00 0.00 175.10 173.37 1mit s SER 63 N 3.80 6.31 -0.47 4.85 0.01 -1.25 -2.06 113.70 124.89 1mit s SER 63 Ca 0.44 -0.48 -0.28 0.00 1.31 0.00 0.00 55.95 56.94 1mit s SER 63 Cb -0.01 -2.36 -0.08 0.00 0.21 0.00 0.00 66.02 63.78 1mit s SER 63 CO -0.02 -0.99 2.39 -2.65 0.41 0.00 0.00 173.24 172.37 1mit n PRO 64 N 6.73 1.13 0.00 12.44 -0.02 -1.26 -4.67 135.00 149.35 1mit n PRO 64 Ca -0.01 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1mit n PRO 64 Cb 0.47 -3.15 0.00 0.00 -0.02 0.00 0.00 33.50 30.79 1mit n PRO 64 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1mit n PRO 65 N 8.85 0.18 -3.67 0.52 -0.02 -1.26 -4.47 135.00 135.12 1mit n PRO 65 Ca 0.39 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1mit n PRO 65 Cb 0.46 -1.16 -0.12 0.00 -0.02 0.00 0.00 33.50 32.66 1mit n PRO 65 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1mit s ARG 66 N -0.62 0.21 0.56 -0.52 1.04 -1.26 0.14 118.95 118.50 1mit s ARG 66 Ca 0.00 0.78 -0.13 0.00 -1.04 0.00 0.00 55.73 55.34 1mit s ARG 66 Cb 0.00 0.03 -0.06 0.00 -2.04 0.00 0.00 34.95 32.88 1mit s ARG 66 CO 0.00 -0.25 0.99 -1.50 -0.04 0.00 0.00 175.30 174.50 1mit s ILE 67 N 2.23 4.65 -1.91 4.99 2.07 -0.83 -4.98 121.20 127.43 1mit s ILE 67 Ca -0.02 0.97 0.15 0.00 -1.41 0.00 0.00 60.65 60.35 1mit s ILE 67 Cb -0.12 -3.80 0.12 0.00 0.13 0.00 0.00 42.46 38.79 1mit s ILE 67 CO -0.10 -0.93 0.98 0.61 -1.91 0.00 0.00 174.94 173.60