#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbn h GLU 2 N 0.00 0.63 -6.94 0.03 5.08 -2.08 -3.46 114.58 107.84 2kbn h GLU 2 Ca 0.00 -0.55 -0.56 0.00 -1.00 0.00 0.00 59.36 57.25 2kbn h GLU 2 Cb 0.00 0.13 0.14 0.00 0.50 0.00 0.00 28.75 29.51 2kbn h GLU 2 CO 0.00 1.17 0.50 -2.30 -1.00 0.00 0.00 179.01 177.37 2kbn n PRO 3 N -3.88 1.66 -2.32 2.33 -0.02 -1.26 -4.90 135.00 126.62 2kbn n PRO 3 Ca -0.07 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2kbn n PRO 3 Cb 0.76 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2kbn n PRO 3 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2kbn n GLN 4 N -0.65 3.72 -2.06 -0.52 3.00 -1.26 -4.99 117.38 114.63 2kbn n GLN 4 Ca 0.10 -3.54 -0.41 0.00 -0.01 0.00 0.00 57.00 53.14 2kbn n GLN 4 Cb 0.43 -2.89 -0.02 0.00 0.00 0.00 0.00 30.24 27.76 2kbn n GLN 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kbn s LEU 5 N -0.37 4.41 -0.05 1.08 1.43 -1.25 -2.16 118.68 121.76 2kbn s LEU 5 Ca 0.40 2.76 0.03 0.00 -1.03 0.00 0.00 54.13 56.29 2kbn s LEU 5 Cb 0.10 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.68 2kbn s LEU 5 CO -0.00 -0.60 -0.13 -0.89 0.23 0.00 0.00 176.35 174.96 2kbn s THR 6 N -1.11 1.13 0.42 5.49 2.01 -0.53 -4.92 115.64 118.12 2kbn s THR 6 Ca 0.50 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.76 2kbn s THR 6 Cb -0.41 -1.01 -0.09 0.00 0.01 0.00 0.00 72.50 71.00 2kbn s THR 6 CO 0.55 0.35 1.04 -0.54 -0.69 0.00 0.00 174.62 175.33 2kbn s LYS 7 N 0.45 4.10 0.16 4.92 1.02 -1.26 -4.74 119.74 124.39 2kbn s LYS 7 Ca -0.10 1.47 -0.13 0.00 0.02 0.00 0.00 55.97 57.23 2kbn s LYS 7 Cb -0.14 -2.45 0.04 0.00 -0.52 0.00 0.00 37.83 34.77 2kbn s LYS 7 CO 0.03 -0.19 1.69 0.82 -0.92 0.00 0.00 175.35 176.78 2kbn h ILE 8 N 2.07 1.23 0.00 2.17 2.04 -1.98 -2.07 117.51 120.97 2kbn h ILE 8 Ca -0.49 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 2kbn h ILE 8 Cb 1.21 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2kbn h ILE 8 CO 0.62 0.28 -0.03 1.62 0.00 0.00 0.00 178.15 180.64 2kbn h VAL 9 N 0.73 0.29 0.00 1.67 3.04 -1.93 0.65 116.25 120.70 2kbn h VAL 9 Ca 0.17 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2kbn h VAL 9 Cb 0.26 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2kbn h VAL 9 CO -0.01 0.03 0.00 -0.67 -1.01 0.00 0.00 177.57 175.91 2kbn n ASP 10 N -3.45 0.00 -4.65 3.17 2.03 -0.78 -4.71 116.55 108.17 2kbn n ASP 10 Ca -0.02 -0.05 -0.42 0.00 0.52 0.00 0.00 54.79 54.81 2kbn n ASP 10 Cb 0.13 -0.29 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 2kbn n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kbn s ILE 11 N -2.58 4.73 0.00 5.18 1.01 0.22 -4.78 121.20 124.97 2kbn s ILE 11 Ca 0.23 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.63 2kbn s ILE 11 Cb 0.16 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2kbn s ILE 11 CO 0.37 -0.18 0.45 1.33 0.00 0.00 0.00 174.94 176.91 2kbn n VAL 12 N 5.38 0.00 -4.02 2.92 0.24 -1.26 -5.05 118.33 116.55 2kbn n VAL 12 Ca 0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.27 2kbn n VAL 12 Cb 0.47 0.34 -0.13 0.00 -1.47 0.00 0.00 33.84 33.06 2kbn n VAL 12 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kbn s GLU 13 N 0.00 0.32 0.27 7.34 2.02 -1.26 -5.14 118.70 122.25 2kbn s GLU 13 Ca 0.00 -0.40 -0.23 0.00 0.02 0.00 0.00 54.97 54.36 2kbn s GLU 13 Cb 0.00 -0.14 -0.09 0.00 0.10 0.00 0.00 34.13 34.00 2kbn s GLU 13 CO 0.00 0.03 0.84 -0.80 0.02 0.00 0.00 175.26 175.34 2kbn s ASN 14 N -0.82 7.20 0.03 -0.19 0.01 -1.26 -4.74 114.94 115.17 2kbn s ASN 14 Ca -0.06 1.63 0.00 0.00 -0.71 0.00 0.00 52.86 53.72 2kbn s ASN 14 Cb -0.06 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2kbn s ASN 14 CO -0.00 -0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.18 2kbn n GLY 15 N 0.65 -4.98 3.64 0.66 0.00 -0.55 -5.04 105.19 99.57 2kbn n GLY 15 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 2kbn n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kbn s GLN 16 N -1.05 0.38 -0.14 1.61 0.74 -1.26 -4.88 119.66 115.06 2kbn s GLN 16 Ca 0.00 0.64 -0.16 0.00 0.05 0.00 0.00 55.36 55.89 2kbn s GLN 16 Cb 0.00 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.14 2kbn s GLN 16 CO 0.00 -0.08 0.39 -1.58 -0.55 0.00 0.00 175.29 173.47 2kbn s TRP 17 N 1.31 3.49 -0.01 1.67 0.52 -1.26 -2.32 118.94 122.33 2kbn s TRP 17 Ca -0.09 0.75 -0.30 0.00 0.02 0.00 0.00 56.10 56.49 2kbn s TRP 17 Cb -0.04 -2.46 0.12 0.00 -1.15 0.00 0.00 33.47 29.94 2kbn s TRP 17 CO -0.15 0.19 1.28 0.00 0.02 0.00 0.00 176.95 178.30 2kbn s ALA 18 N 0.57 -2.26 -0.04 0.98 0.00 -1.06 -4.96 121.76 114.98 2kbn s ALA 18 Ca 0.22 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 2kbn s ALA 18 Cb -0.14 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2kbn s ALA 18 CO 0.07 -1.07 0.09 -0.80 0.00 0.00 0.00 175.76 174.05 2kbn s ASN 19 N -3.11 5.80 0.01 0.00 0.01 -0.92 -2.55 114.94 114.19 2kbn s ASN 19 Ca 0.16 0.23 0.01 0.00 -0.71 0.00 0.00 52.86 52.55 2kbn s ASN 19 Cb 0.04 -1.72 -0.01 0.00 0.41 0.00 0.00 41.25 39.96 2kbn s ASN 19 CO -0.03 0.32 -0.03 -0.76 -1.51 0.00 0.00 177.10 175.08 2kbn s LEU 20 N -1.48 2.14 -0.05 0.60 1.02 -0.34 -1.45 118.68 119.12 2kbn s LEU 20 Ca 0.20 -0.30 0.06 0.00 0.02 0.00 0.00 54.13 54.11 2kbn s LEU 20 Cb -0.12 -0.04 -0.01 0.00 0.02 0.00 0.00 46.19 46.04 2kbn s LEU 20 CO 0.11 -0.14 -0.25 -0.75 0.02 0.00 0.00 176.35 175.34 2kbn s LYS 21 N -0.86 2.50 0.12 1.70 2.20 -1.26 -1.63 119.74 122.50 2kbn s LYS 21 Ca -0.07 -0.90 -0.26 0.00 -0.36 0.00 0.00 55.97 54.38 2kbn s LYS 21 Cb -0.06 -2.16 0.07 0.00 -1.51 0.00 0.00 37.83 34.17 2kbn s LYS 21 CO -0.00 0.41 0.92 0.00 -0.36 0.00 0.00 175.35 176.32 2kbn s ALA 22 N -0.24 -1.68 -0.06 3.13 0.00 -1.12 -4.96 121.76 116.83 2kbn s ALA 22 Ca -0.01 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 2kbn s ALA 22 Cb -0.13 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2kbn s ALA 22 CO 0.03 -0.94 0.04 0.21 0.00 0.00 0.00 175.76 175.10 2kbn s LYS 23 N -3.29 3.03 -0.08 0.00 2.20 -0.61 -2.14 119.74 118.87 2kbn s LYS 23 Ca 0.10 -0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 55.00 2kbn s LYS 23 Cb -0.01 -2.84 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2kbn s LYS 23 CO -0.01 0.69 0.95 0.08 -0.36 0.00 0.00 175.35 176.69 2kbn s VAL 24 N -1.01 4.85 -0.06 4.02 1.01 -1.10 -0.02 120.40 128.09 2kbn s VAL 24 Ca 0.17 1.94 -0.05 0.00 0.00 0.00 0.00 61.98 64.03 2kbn s VAL 24 Cb -0.12 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2kbn s VAL 24 CO 0.06 0.08 -0.11 -0.38 0.00 0.00 0.00 175.10 174.76 2kbn n ILE 25 N 4.30 0.51 -3.85 2.22 5.41 -1.18 -2.36 119.36 124.42 2kbn n ILE 25 Ca 0.06 0.38 -0.12 0.00 1.00 0.00 0.00 62.75 64.08 2kbn n ILE 25 Cb 0.50 -1.80 -0.12 0.00 -0.71 0.00 0.00 39.64 37.51 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2kbn s GLN 26 N -1.60 0.28 -0.04 0.38 -1.52 -1.26 -4.57 119.66 111.33 2kbn s GLN 26 Ca -0.09 -0.04 -0.04 0.00 -1.95 0.00 0.00 55.36 53.25 2kbn s GLN 26 Cb 0.01 0.12 0.01 0.00 -0.22 0.00 0.00 33.01 32.94 2kbn s GLN 26 CO 0.13 -0.05 0.11 -0.48 -0.25 0.00 0.00 175.29 174.75 2kbn s LEU 27 N -0.48 1.54 0.11 2.90 0.05 -1.26 -2.58 118.68 118.96 2kbn s LEU 27 Ca -0.06 0.23 0.08 0.00 0.05 0.00 0.00 54.13 54.44 2kbn s LEU 27 Cb -0.04 0.39 -0.04 0.00 -2.05 0.00 0.00 46.19 44.45 2kbn s LEU 27 CO 0.01 -0.04 -0.15 0.26 -0.55 0.00 0.00 176.35 175.87 2kbn s TRP 28 N 0.10 2.62 0.32 3.48 0.51 -0.54 -4.95 118.94 120.47 2kbn s TRP 28 Ca -0.00 -0.22 -0.29 0.00 -2.12 0.00 0.00 56.10 53.47 2kbn s TRP 28 Cb -0.01 -1.38 -0.11 0.00 -0.81 0.00 0.00 33.47 31.16 2kbn s TRP 28 CO -0.00 0.40 1.44 -1.83 -0.51 0.00 0.00 176.95 176.45 2kbn s GLU 29 N -2.16 4.22 0.02 4.98 -1.05 -1.26 -2.66 118.70 120.80 2kbn s GLU 29 Ca 0.19 2.40 0.00 0.00 -0.15 0.00 0.00 54.97 57.41 2kbn s GLU 29 Cb -0.11 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 2kbn s GLU 29 CO 0.12 -0.41 0.00 -1.71 0.95 0.00 0.00 175.26 174.20 2kbn n ASN 30 N 1.27 0.23 -1.21 0.83 5.15 -0.96 -4.89 115.26 115.69 2kbn n ASN 30 Ca 0.03 0.03 -0.08 0.00 -0.60 0.00 0.00 54.58 53.97 2kbn n ASN 30 Cb 0.40 -0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.55 2kbn n ASN 30 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2kbn n THR 31 N -2.72 0.00 0.07 -0.44 -2.24 -0.72 -4.75 114.28 103.48 2kbn n THR 31 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2kbn n THR 31 Cb 0.00 -0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 2kbn n THR 31 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2kbn h HIS 32 N 0.00 -0.12 -0.51 4.78 6.17 -1.87 -3.46 115.15 120.14 2kbn h HIS 32 Ca -0.16 -0.00 0.22 0.00 0.71 0.00 0.00 60.37 61.14 2kbn h HIS 32 Cb 0.51 0.04 -0.25 0.00 2.52 0.00 0.00 27.41 30.23 2kbn h HIS 32 CO 0.22 0.08 0.33 -2.00 0.71 0.00 0.00 177.93 177.26 2kbn s GLU 33 N -5.47 0.17 0.00 5.26 2.12 -1.26 -4.91 118.70 114.60 2kbn s GLU 33 Ca -0.14 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.58 2kbn s GLU 33 Cb 0.04 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.66 2kbn s GLU 33 CO 0.65 -0.09 0.00 0.45 -0.54 0.00 0.00 175.26 175.73 2kbn n SER 34 N 4.94 -0.89 -4.33 -1.70 2.88 -1.26 -4.87 113.62 108.38 2kbn n SER 34 Ca -0.08 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.14 2kbn n SER 34 Cb 0.54 -2.11 -0.15 0.00 -0.75 0.00 0.00 64.21 61.74 2kbn n SER 34 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kbn s ILE 35 N -0.78 2.80 -0.01 2.46 1.01 -1.26 -3.36 121.20 122.06 2kbn s ILE 35 Ca 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 2kbn s ILE 35 Cb 0.00 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 2kbn s ILE 35 CO 0.00 0.53 -0.01 -1.28 0.00 0.00 0.00 174.94 174.19 2kbn h SER 36 N 6.69 0.00 -4.87 3.58 0.87 -1.26 -1.91 113.55 116.65 2kbn h SER 36 Ca -0.24 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.13 2kbn h SER 36 Cb 1.22 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.03 2kbn h SER 36 CO 0.53 0.07 -0.68 -1.10 -0.53 0.00 0.00 176.83 175.12 2kbn s GLN 37 N -1.09 0.80 0.01 2.24 -0.21 -1.26 -1.92 119.66 118.24 2kbn s GLN 37 Ca -0.01 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.04 2kbn s GLN 37 Cb 0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.97 2kbn s GLN 37 CO 0.01 -0.08 -0.01 0.54 -2.12 0.00 0.00 175.29 173.63 2kbn s VAL 38 N -3.76 0.04 0.00 1.09 0.11 -1.09 -2.36 120.40 114.43 2kbn s VAL 38 Ca 0.13 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 2kbn s VAL 38 Cb 0.06 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.82 2kbn s VAL 38 CO -0.05 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 2kbn n GLY 39 N 2.58 2.22 3.13 6.54 0.00 -1.09 -1.47 105.19 117.11 2kbn n GLY 39 Ca -0.16 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 2kbn n GLY 39 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kbn s LEU 40 N 0.00 2.29 -0.13 0.99 2.34 -1.07 -1.99 118.68 121.12 2kbn s LEU 40 Ca 0.00 -0.63 0.00 0.00 0.06 0.00 0.00 54.13 53.56 2kbn s LEU 40 Cb 0.00 -0.36 -0.01 0.00 -0.56 0.00 0.00 46.19 45.26 2kbn s LEU 40 CO 0.00 -0.15 -0.14 -0.76 -1.06 0.00 0.00 176.35 174.24 2kbn s LEU 41 N -1.81 2.65 0.38 1.48 1.43 0.38 -3.07 118.68 120.12 2kbn s LEU 41 Ca -0.04 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 2kbn s LEU 41 Cb -0.09 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 2kbn s LEU 41 CO 0.01 0.16 0.78 -0.83 0.23 0.00 0.00 176.35 176.70 2kbn s GLY 42 N 0.39 2.12 -0.21 -3.19 0.00 0.97 -2.38 107.32 105.02 2kbn s GLY 42 Ca -0.11 -0.06 -0.31 0.00 0.00 0.00 0.00 44.72 44.24 2kbn s GLY 42 CO 0.06 0.14 1.16 -0.35 0.00 0.00 0.00 173.10 174.11 2kbn s ASP 43 N -2.78 -0.21 0.45 1.64 2.15 -0.41 -1.57 116.67 115.95 2kbn s ASP 43 Ca 0.53 0.18 0.23 0.00 0.43 0.00 0.00 52.55 53.93 2kbn s ASP 43 Cb -0.10 0.18 1.27 0.00 -0.30 0.00 0.00 42.92 43.97 2kbn s ASP 43 CO 0.25 -0.22 1.68 -0.08 -0.17 0.00 0.00 175.17 176.63 2kbn h GLU 44 N 2.25 0.00 -0.02 4.34 4.81 -1.90 0.56 114.58 124.63 2kbn h GLU 44 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2kbn h GLU 44 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2kbn h GLU 44 CO 0.26 0.00 -0.06 0.25 -0.73 0.00 0.00 179.01 178.73 2kbn n THR 45 N -2.44 0.00 0.00 0.32 -2.24 -1.26 -5.05 114.28 103.62 2kbn n THR 45 Ca -0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2kbn n THR 45 Cb 0.22 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2kbn n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kbn n GLY 46 N 1.24 0.48 3.28 3.38 0.00 0.20 -4.48 105.19 109.29 2kbn n GLY 46 Ca 0.17 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 2kbn n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kbn s ILE 47 N -1.13 1.63 0.00 -0.61 -4.36 -1.26 -1.28 121.20 114.19 2kbn s ILE 47 Ca 0.00 -1.64 -0.12 0.00 -0.26 0.00 0.00 60.65 58.63 2kbn s ILE 47 Cb 0.00 -1.58 0.01 0.00 1.25 0.00 0.00 42.46 42.15 2kbn s ILE 47 CO 0.00 -0.19 0.25 -0.51 0.24 0.00 0.00 174.94 174.73 2kbn s ILE 48 N -1.54 0.07 0.28 8.37 2.07 -1.00 -4.95 121.20 124.50 2kbn s ILE 48 Ca 0.08 -0.60 -0.17 0.00 -1.41 0.00 0.00 60.65 58.55 2kbn s ILE 48 Cb -0.08 -0.63 -0.09 0.00 0.13 0.00 0.00 42.46 41.79 2kbn s ILE 48 CO 0.04 -0.33 0.73 -0.54 -1.91 0.00 0.00 174.94 172.93 2kbn s LYS 49 N -1.60 4.11 0.07 3.50 3.01 -1.26 -0.47 119.74 127.10 2kbn s LYS 49 Ca -0.12 0.75 -0.05 0.00 -1.01 0.00 0.00 55.97 55.54 2kbn s LYS 49 Cb -0.05 -2.62 -0.02 0.00 -1.01 0.00 0.00 37.83 34.13 2kbn s LYS 49 CO 0.02 0.26 0.09 -0.59 0.51 0.00 0.00 175.35 175.64 2kbn s PHE 50 N -1.79 0.31 -0.02 3.18 -0.71 -0.84 -1.77 117.98 116.34 2kbn s PHE 50 Ca 0.49 -0.78 -0.03 0.00 -1.04 0.00 0.00 56.93 55.58 2kbn s PHE 50 Cb -0.13 -0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.48 2kbn s PHE 50 CO 0.19 -0.47 0.06 -0.08 -1.34 0.00 0.00 175.22 173.58 2kbn s THR 51 N -3.81 0.02 -0.23 -4.49 -1.32 -1.02 -2.65 115.64 102.13 2kbn s THR 51 Ca 0.05 -0.19 -0.07 0.00 -1.21 0.00 0.00 61.69 60.26 2kbn s THR 51 Cb 0.06 -0.16 -0.03 0.00 -1.51 0.00 0.00 72.50 70.86 2kbn s THR 51 CO -0.10 -0.11 0.07 -0.63 -2.21 0.00 0.00 174.62 171.64 2kbn s ILE 52 N -0.31 4.46 -0.01 5.08 1.01 -0.99 -1.56 121.20 128.87 2kbn s ILE 52 Ca -0.04 -0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.31 2kbn s ILE 52 Cb -0.03 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 2kbn s ILE 52 CO 0.00 0.37 0.49 0.26 0.00 0.00 0.00 174.94 176.06 2kbn s TRP 53 N 1.30 3.69 -0.90 3.97 0.52 -0.85 -0.71 118.94 125.96 2kbn s TRP 53 Ca 0.05 1.07 0.17 0.00 0.02 0.00 0.00 56.10 57.40 2kbn s TRP 53 Cb -0.15 -2.45 0.70 0.00 -1.15 0.00 0.00 33.47 30.43 2kbn s TRP 53 CO 0.04 0.48 1.52 1.63 0.02 0.00 0.00 176.95 180.64 2kbn n LYS 54 N 2.36 0.04 -0.30 4.98 5.02 -1.21 -2.85 118.16 126.20 2kbn n LYS 54 Ca -0.10 0.28 -0.05 0.00 -2.02 0.00 0.00 58.31 56.41 2kbn n LYS 54 Cb 0.52 -1.57 0.07 0.00 -0.02 0.00 0.00 35.03 34.02 2kbn n LYS 54 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2kbn h ASN 55 N 0.00 1.03 1.05 4.39 -0.26 -1.92 -1.03 115.58 118.83 2kbn h ASN 55 Ca 0.00 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 2kbn h ASN 55 Cb 0.28 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 2kbn h ASN 55 CO 0.00 0.84 0.00 0.00 -1.06 0.00 0.00 177.43 177.21 2kbn n ALA 56 N -2.38 2.21 -3.38 -0.83 0.00 -1.13 -4.82 120.51 110.18 2kbn n ALA 56 Ca 0.08 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 2kbn n ALA 56 Cb 0.10 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.15 2kbn n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kbn n GLU 57 N -1.72 -1.60 -4.22 0.00 1.02 -0.39 -4.99 120.64 108.74 2kbn n GLU 57 Ca 0.06 0.91 -0.32 0.00 -0.02 0.00 0.00 57.16 57.79 2kbn n GLU 57 Cb 0.34 -4.96 -0.08 0.00 -0.02 0.00 0.00 31.44 26.72 2kbn n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kbn s LEU 58 N -5.29 3.54 0.79 -4.62 1.43 -1.26 -5.12 118.68 108.15 2kbn s LEU 58 Ca 0.29 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 2kbn s LEU 58 Cb -0.07 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.10 2kbn s LEU 58 CO 0.79 0.24 1.09 -2.16 0.23 0.00 0.00 176.35 176.54 2kbn s PRO 59 N -1.84 2.15 0.42 1.29 0.04 -1.26 -5.00 135.00 130.80 2kbn s PRO 59 Ca 0.22 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.91 2kbn s PRO 59 Cb -0.12 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2kbn s PRO 59 CO 0.14 -1.64 1.25 -0.51 0.04 0.00 0.00 177.00 176.27 2kbn s LEU 60 N -5.86 4.17 -0.01 -3.56 1.43 -1.26 -5.00 118.68 108.59 2kbn s LEU 60 Ca 0.61 2.52 -0.17 0.00 -1.03 0.00 0.00 54.13 56.06 2kbn s LEU 60 Cb -0.16 -3.99 -0.06 0.00 0.03 0.00 0.00 46.19 42.02 2kbn s LEU 60 CO 0.56 -0.83 0.48 -0.76 0.23 0.00 0.00 176.35 176.02 2kbn s LEU 61 N -2.56 4.43 0.36 1.79 1.02 -1.26 -5.07 118.68 117.40 2kbn s LEU 61 Ca 0.58 1.01 -0.21 0.00 0.02 0.00 0.00 54.13 55.53 2kbn s LEU 61 Cb -0.35 -2.71 -0.10 0.00 0.02 0.00 0.00 46.19 43.05 2kbn s LEU 61 CO 0.44 0.22 0.88 -1.61 0.02 0.00 0.00 176.35 176.30 2kbn s GLU 62 N -0.60 4.28 0.25 1.70 2.02 -1.26 -5.03 118.70 120.06 2kbn s GLU 62 Ca 0.26 1.05 -0.29 0.00 0.02 0.00 0.00 54.97 56.01 2kbn s GLU 62 Cb -0.17 -2.47 -0.09 0.00 0.10 0.00 0.00 34.13 31.50 2kbn s GLU 62 CO 0.14 0.13 0.95 -0.65 0.02 0.00 0.00 175.26 175.86 2kbn s GLN 63 N -2.72 4.81 -0.05 1.61 -0.21 -1.26 -3.84 119.66 118.00 2kbn s GLN 63 Ca 0.55 1.49 -0.00 0.00 0.02 0.00 0.00 55.36 57.42 2kbn s GLN 63 Cb -0.13 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 30.68 2kbn s GLN 63 CO 0.17 0.47 0.02 0.41 -2.12 0.00 0.00 175.29 174.24 2kbn n GLY 64 N 1.34 0.64 2.94 3.09 0.00 -1.00 -5.06 105.19 107.15 2kbn n GLY 64 Ca -0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2kbn n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbn s GLU 65 N -4.56 0.16 0.28 1.61 2.02 -1.25 -5.01 118.70 111.94 2kbn s GLU 65 Ca 0.01 -0.18 -0.25 0.00 0.02 0.00 0.00 54.97 54.56 2kbn s GLU 65 Cb -0.00 0.06 -0.09 0.00 0.10 0.00 0.00 34.13 34.19 2kbn s GLU 65 CO 0.01 -0.03 0.88 -1.54 0.02 0.00 0.00 175.26 174.60 2kbn s SER 66 N -0.53 7.32 0.00 -0.19 1.04 -1.26 -2.70 113.70 117.38 2kbn s SER 66 Ca -0.06 1.74 0.01 0.00 0.48 0.00 0.00 55.95 58.12 2kbn s SER 66 Cb -0.04 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 2kbn s SER 66 CO -0.00 0.01 -0.03 -0.31 0.98 0.00 0.00 173.24 173.89 2kbn s TYR 67 N -1.50 0.24 -0.31 5.02 2.02 -0.91 -2.67 117.35 119.24 2kbn s TYR 67 Ca 0.46 -0.14 -0.07 0.00 -0.37 0.00 0.00 57.07 56.96 2kbn s TYR 67 Cb -0.19 -0.15 0.02 0.00 -0.40 0.00 0.00 41.96 41.23 2kbn s TYR 67 CO 0.24 -0.03 0.09 -1.17 -1.57 0.00 0.00 175.55 173.11 2kbn s LEU 68 N -0.36 4.01 -0.19 -1.29 2.96 -0.48 -2.79 118.68 120.53 2kbn s LEU 68 Ca -0.02 -0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 2kbn s LEU 68 Cb -0.03 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 2kbn s LEU 68 CO -0.00 -0.24 0.14 -0.76 -1.32 0.00 0.00 176.35 174.17 2kbn s LEU 69 N 1.47 4.23 0.08 -0.68 1.02 -0.65 -2.23 118.68 121.93 2kbn s LEU 69 Ca 0.01 0.28 0.07 0.00 0.02 0.00 0.00 54.13 54.51 2kbn s LEU 69 Cb -0.18 -2.10 -0.03 0.00 0.02 0.00 0.00 46.19 43.90 2kbn s LEU 69 CO 0.03 0.20 -0.19 -0.13 0.02 0.00 0.00 176.35 176.28 2kbn s ARG 70 N 0.19 1.10 -1.13 1.70 0.52 -0.93 -1.20 118.95 119.19 2kbn s ARG 70 Ca 0.09 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.22 2kbn s ARG 70 Cb -0.11 -1.26 -0.03 0.00 0.52 0.00 0.00 34.95 34.06 2kbn s ARG 70 CO -0.01 0.30 0.94 0.45 0.02 0.00 0.00 175.30 177.00 2kbn n SER 71 N 1.34 -4.29 -4.64 0.23 2.88 -1.23 -2.61 113.62 105.30 2kbn n SER 71 Ca -0.19 -0.69 -0.23 0.00 -1.33 0.00 0.00 58.87 56.43 2kbn n SER 71 Cb 0.54 -5.04 -0.07 0.00 -0.75 0.00 0.00 64.21 58.89 2kbn n SER 71 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2kbn s VAL 72 N -3.40 3.28 -0.09 2.46 -7.23 -1.06 -3.95 120.40 110.41 2kbn s VAL 72 Ca 0.24 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2kbn s VAL 72 Cb -0.03 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 2kbn s VAL 72 CO 0.74 -0.35 -0.14 0.54 -0.31 0.00 0.00 175.10 175.59 2kbn s VAL 73 N -2.36 3.06 -0.25 1.32 0.11 -1.20 -2.58 120.40 118.51 2kbn s VAL 73 Ca 0.32 -0.69 -0.27 0.00 -2.93 0.00 0.00 61.98 58.41 2kbn s VAL 73 Cb -0.05 -2.24 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 2kbn s VAL 73 CO 0.20 0.56 0.94 -0.69 -3.33 0.00 0.00 175.10 172.77 2kbn s VAL 74 N -0.16 4.74 0.56 2.04 1.01 -0.98 -1.19 120.40 126.41 2kbn s VAL 74 Ca -0.01 1.77 0.02 0.00 0.00 0.00 0.00 61.98 63.76 2kbn s VAL 74 Cb -0.13 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.06 2kbn s VAL 74 CO 0.03 -0.16 0.78 -0.83 0.00 0.00 0.00 175.10 174.92 2kbn s GLY 75 N 1.31 1.83 -0.16 4.51 0.00 0.11 -1.48 107.32 113.44 2kbn s GLY 75 Ca 0.40 -1.39 -0.07 0.00 0.00 0.00 0.00 44.72 43.66 2kbn s GLY 75 CO 0.07 -1.09 0.08 -1.83 0.00 0.00 0.00 173.10 170.34 2kbn s GLU 76 N -4.76 3.76 -0.32 2.90 -1.05 -1.26 -2.65 118.70 115.31 2kbn s GLU 76 Ca 0.58 -0.29 -0.02 0.00 -0.15 0.00 0.00 54.97 55.09 2kbn s GLU 76 Cb -0.10 -3.18 0.11 0.00 -0.44 0.00 0.00 34.13 30.53 2kbn s GLU 76 CO 0.38 0.44 0.15 -0.47 0.95 0.00 0.00 175.26 176.72 2kbn s TYR 77 N -0.10 0.94 0.00 4.83 5.04 -0.92 -4.85 117.35 122.29 2kbn s TYR 77 Ca 0.08 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.28 2kbn s TYR 77 Cb -0.12 -1.21 0.00 0.00 0.35 0.00 0.00 41.96 40.98 2kbn s TYR 77 CO 0.01 -0.84 0.00 0.27 -1.34 0.00 0.00 175.55 173.65 2kbn n ASN 78 N 4.69 0.00 0.00 4.32 0.23 -1.26 0.45 115.26 123.70 2kbn n ASN 78 Ca 0.01 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.16 2kbn n ASN 78 Cb 0.40 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.60 2kbn n ASN 78 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2kbn n ASP 79 N -0.64 0.00 -4.81 0.53 8.00 -1.26 -4.77 116.55 113.60 2kbn n ASP 79 Ca 0.00 0.07 -0.26 0.00 0.71 0.00 0.00 54.79 55.30 2kbn n ASP 79 Cb 0.00 -0.31 -0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2kbn n ASP 79 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kbn n ARG 80 N -1.31 0.69 -4.23 -1.24 1.74 0.17 -5.15 116.66 107.32 2kbn n ARG 80 Ca 0.09 -3.44 -0.18 0.00 -0.77 0.00 0.00 57.85 53.56 2kbn n ARG 80 Cb 0.17 0.40 -0.11 0.00 -1.02 0.00 0.00 32.46 31.90 2kbn n ARG 80 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2kbn s PHE 81 N -2.72 1.36 0.09 -1.55 0.08 -1.25 -2.17 117.98 111.80 2kbn s PHE 81 Ca 0.29 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.77 2kbn s PHE 81 Cb -0.02 -0.71 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 2kbn s PHE 81 CO 0.19 0.12 0.00 1.14 -0.10 0.00 0.00 175.22 176.58 2kbn s GLN 82 N -2.65 0.76 -0.13 0.44 -2.07 -1.08 -4.22 119.66 110.70 2kbn s GLN 82 Ca 0.08 -1.32 -0.01 0.00 -1.82 0.00 0.00 55.36 52.29 2kbn s GLN 82 Cb -0.05 0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 32.05 2kbn s GLN 82 CO 0.03 -0.17 -0.08 0.14 -1.32 0.00 0.00 175.29 173.88 2kbn s VAL 83 N -3.96 3.48 -0.26 3.63 -7.23 -0.73 0.09 120.40 115.43 2kbn s VAL 83 Ca 0.15 -0.52 -0.07 0.00 -1.81 0.00 0.00 61.98 59.72 2kbn s VAL 83 Cb 0.08 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 2kbn s VAL 83 CO -0.05 0.53 0.08 -1.10 -0.31 0.00 0.00 175.10 174.25 2kbn s GLN 84 N 0.14 3.51 -0.66 4.82 -0.21 -0.34 -2.45 119.66 124.48 2kbn s GLN 84 Ca -0.04 -0.58 -0.21 0.00 0.02 0.00 0.00 55.36 54.55 2kbn s GLN 84 Cb -0.14 -3.36 0.08 0.00 1.00 0.00 0.00 33.01 30.59 2kbn s GLN 84 CO 0.04 -0.26 0.90 0.08 -2.12 0.00 0.00 175.29 173.93 2kbn s VAL 85 N 1.59 4.48 0.26 1.09 1.01 -0.60 -3.20 120.40 125.03 2kbn s VAL 85 Ca 0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2kbn s VAL 85 Cb -0.16 -4.64 0.01 0.00 0.00 0.00 0.00 36.38 31.60 2kbn s VAL 85 CO 0.04 -1.37 0.41 -0.46 0.00 0.00 0.00 175.10 173.71 2kbn n ASN 86 N 7.26 -1.14 0.00 3.32 0.23 -1.26 -2.01 115.26 121.66 2kbn n ASN 86 Ca -0.04 -2.34 0.00 0.00 -0.53 0.00 0.00 54.58 51.67 2kbn n ASN 86 Cb 0.45 2.06 0.00 0.00 -2.08 0.00 0.00 39.78 40.21 2kbn n ASN 86 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2kbn n LYS 87 N -0.42 0.00 -0.47 -3.83 3.00 -1.26 -2.16 118.16 113.02 2kbn n LYS 87 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.34 2kbn n LYS 87 Cb 0.43 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.67 2kbn n LYS 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2kbn n ASN 88 N 5.43 3.49 -4.70 3.14 6.94 -1.26 -4.46 115.26 123.84 2kbn n ASN 88 Ca 0.00 -2.49 -0.40 0.00 -0.02 0.00 0.00 54.58 51.67 2kbn n ASN 88 Cb 0.00 -0.60 0.02 0.00 -2.36 0.00 0.00 39.78 36.84 2kbn n ASN 88 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2kbn n SER 89 N 0.33 2.36 -4.22 0.53 7.64 -0.92 -4.89 113.62 114.45 2kbn n SER 89 Ca 0.15 1.05 -0.18 0.00 1.01 0.00 0.00 58.87 60.89 2kbn n SER 89 Cb 0.75 -1.50 -0.11 0.00 -1.01 0.00 0.00 64.21 62.33 2kbn n SER 89 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kbn s SER 90 N -0.69 1.92 -0.03 6.43 0.01 -1.07 -4.94 113.70 115.33 2kbn s SER 90 Ca 0.65 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 57.18 2kbn s SER 90 Cb -0.48 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2kbn s SER 90 CO 0.55 -0.12 -0.09 -0.63 0.41 0.00 0.00 173.24 173.36 2kbn s ILE 91 N -1.84 0.84 -0.03 1.44 1.01 -1.26 -2.20 121.20 119.16 2kbn s ILE 91 Ca 0.05 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2kbn s ILE 91 Cb -0.07 -0.75 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 2kbn s ILE 91 CO 0.03 0.26 -0.14 -1.61 0.00 0.00 0.00 174.94 173.48 2kbn s GLU 92 N 0.27 1.38 -0.13 2.79 0.41 -0.95 -4.93 118.70 117.55 2kbn s GLU 92 Ca -0.05 -0.48 -0.28 0.00 -0.41 0.00 0.00 54.97 53.76 2kbn s GLU 92 Cb -0.10 -1.24 -0.01 0.00 -1.78 0.00 0.00 34.13 30.99 2kbn s GLU 92 CO 0.01 0.21 0.92 0.21 -0.49 0.00 0.00 175.26 176.12 2kbn s LYS 93 N 0.04 4.38 -0.17 1.61 2.20 -1.26 -1.39 119.74 125.14 2kbn s LYS 93 Ca -0.02 1.22 -0.07 0.00 -0.36 0.00 0.00 55.97 56.74 2kbn s LYS 93 Cb -0.09 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 2kbn s LYS 93 CO 0.01 -0.30 0.06 -0.51 -0.36 0.00 0.00 175.35 174.25 2kbn s LEU 94 N 2.00 3.84 0.00 5.43 1.02 -1.09 -4.96 118.68 124.92 2kbn s LEU 94 Ca 0.44 0.11 0.30 0.00 0.02 0.00 0.00 54.13 55.00 2kbn s LEU 94 Cb -0.18 -1.96 1.43 0.00 0.02 0.00 0.00 46.19 45.50 2kbn s LEU 94 CO 0.16 0.21 2.01 -0.24 0.02 0.00 0.00 176.35 178.50 2kbn n SER 95 N 3.32 0.04 -4.25 2.29 2.88 -1.26 -4.33 113.62 112.31 2kbn n SER 95 Ca -0.17 -0.03 -0.40 0.00 -1.33 0.00 0.00 58.87 56.94 2kbn n SER 95 Cb 0.52 -0.31 -0.10 0.00 -0.75 0.00 0.00 64.21 63.57 2kbn n SER 95 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2kbn s GLU 96 N -2.67 2.55 0.48 -1.46 2.12 -1.26 -5.08 118.70 113.39 2kbn s GLU 96 Ca 0.25 -1.49 -0.21 0.00 0.36 0.00 0.00 54.97 53.88 2kbn s GLU 96 Cb 0.20 -3.76 -0.08 0.00 0.26 0.00 0.00 34.13 30.75 2kbn s GLU 96 CO 0.48 -0.96 1.05 -1.25 -0.54 0.00 0.00 175.26 174.04 2kbn s PRO 97 N 1.40 3.82 0.09 4.30 0.04 -1.26 -4.95 135.00 138.43 2kbn s PRO 97 Ca 0.03 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.20 2kbn s PRO 97 Cb -0.23 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 2kbn s PRO 97 CO 0.01 -0.42 0.86 0.96 0.04 0.00 0.00 177.00 178.45 2kbn s ILE 98 N -1.92 4.59 -0.02 0.56 -4.36 -1.26 -4.99 121.20 113.80 2kbn s ILE 98 Ca 0.66 1.85 -0.30 0.00 -0.26 0.00 0.00 60.65 62.61 2kbn s ILE 98 Cb -0.18 -4.22 -0.06 0.00 1.25 0.00 0.00 42.46 39.25 2kbn s ILE 98 CO 0.22 0.35 1.62 -0.70 0.24 0.00 0.00 174.94 176.67 2kbn s GLU 99 N -0.12 4.20 0.00 0.37 2.12 -1.26 -4.84 118.70 119.17 2kbn s GLU 99 Ca 0.42 2.19 0.14 0.00 0.36 0.00 0.00 54.97 58.08 2kbn s GLU 99 Cb -0.22 -3.83 0.07 0.00 0.26 0.00 0.00 34.13 30.41 2kbn s GLU 99 CO 0.27 -0.78 0.88 1.33 -0.54 0.00 0.00 175.26 176.42 2kbn n VAL 100 N 5.17 0.00 -0.15 3.70 0.24 -1.26 -4.42 118.33 121.61 2kbn n VAL 100 Ca 0.16 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2kbn n VAL 100 Cb 0.42 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 2kbn n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kbn n GLY 101 N 0.87 0.07 0.22 7.63 0.00 -1.26 -4.89 105.19 107.83 2kbn n GLY 101 Ca 0.07 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.37 2kbn n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kbn n LEU 102 N 0.00 0.97 0.00 0.99 4.77 -1.26 -4.93 117.00 117.54 2kbn n LEU 102 Ca 0.00 -0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.49 2kbn n LEU 102 Cb 0.00 -0.14 0.25 0.00 -2.33 0.00 0.00 43.42 41.20 2kbn n LEU 102 CO 0.00 0.19 0.30 -0.62 -1.33 0.00 0.00 177.39 175.93 2kbn n GLU 103 N -0.76 -4.43 -2.33 3.23 -0.58 -1.26 -4.73 120.64 109.77 2kbn n GLU 103 Ca 0.11 -1.25 -0.01 0.00 -0.42 0.00 0.00 57.16 55.60 2kbn n GLU 103 Cb 0.35 -1.61 -0.01 0.00 -0.57 0.00 0.00 31.44 29.60 2kbn n GLU 103 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2kbn n HIS 104 N -5.39 -3.31 -4.00 -0.32 -0.00 -1.26 -5.06 115.22 95.88 2kbn n HIS 104 Ca 0.12 1.96 -0.10 0.00 0.46 0.00 0.00 57.72 60.16 2kbn n HIS 104 Cb 0.51 -2.97 -0.07 0.00 -0.12 0.00 0.00 29.99 27.34 2kbn n HIS 104 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kbn s HIS 105 N -0.42 0.50 0.16 1.57 -3.43 -1.26 -5.18 115.29 107.23 2kbn s HIS 105 Ca -0.03 -0.86 0.05 0.00 -0.80 0.00 0.00 55.06 53.42 2kbn s HIS 105 Cb 0.00 -0.12 -0.05 0.00 -1.43 0.00 0.00 32.58 30.99 2kbn s HIS 105 CO 0.09 -0.72 -0.10 -1.01 -2.00 0.00 0.00 174.74 171.00 2kbn s HIS 106 N -3.99 1.36 0.17 0.38 3.76 -1.26 -5.16 115.29 110.55 2kbn s HIS 106 Ca 0.20 -0.74 -0.10 0.00 -0.15 0.00 0.00 55.06 54.27 2kbn s HIS 106 Cb 0.04 -0.69 -0.01 0.00 1.11 0.00 0.00 32.58 33.03 2kbn s HIS 106 CO 0.02 0.12 0.31 -3.38 -0.85 0.00 0.00 174.74 170.96 2kbn s HIS 107 N -3.27 0.37 0.00 1.40 -3.43 -1.26 -5.00 115.29 104.10 2kbn s HIS 107 Ca 0.18 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 2kbn s HIS 107 Cb 0.02 -0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.16 2kbn s HIS 107 CO 0.02 -0.75 0.00 1.58 -2.00 0.00 0.00 174.74 173.59 2kbn n HIS 108 N -0.24 0.00 0.00 0.38 -0.00 -1.26 -5.38 115.22 108.72 2kbn n HIS 108 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2kbn n HIS 108 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.62 2kbn n HIS 108 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06