#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 0.24 -7.06 2.12 4.81 -2.10 -3.44 114.58 109.14 2kbn h GLU 2 Ca 0.00 -0.10 -0.44 0.00 -0.13 0.00 0.00 59.36 58.69 2kbn h GLU 2 Cb 0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2kbn h GLU 2 CO 0.00 0.58 0.34 -1.25 -0.73 0.00 0.00 179.01 177.95 2kbn s PRO 3 N -4.56 4.20 -1.03 0.92 0.04 -1.26 -4.96 135.00 128.35 2kbn s PRO 3 Ca -0.15 1.13 -0.23 0.00 0.04 0.00 0.00 61.00 61.79 2kbn s PRO 3 Cb 0.05 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.45 2kbn s PRO 3 CO 0.72 -0.05 1.54 -1.14 0.04 0.00 0.00 177.00 178.11 2kbn s GLN 4 N -3.20 3.48 0.36 4.56 0.74 -1.26 -4.97 119.66 119.37 2kbn s GLN 4 Ca 0.62 -1.09 -0.25 0.00 0.05 0.00 0.00 55.36 54.69 2kbn s GLN 4 Cb -0.09 -5.34 -0.09 0.00 1.10 0.00 0.00 33.01 28.59 2kbn s GLN 4 CO 0.14 -2.38 1.02 -0.51 -0.55 0.00 0.00 175.29 173.01 2kbn s LEU 5 N 5.62 4.24 -0.08 3.68 1.43 -1.26 -2.11 118.68 130.20 2kbn s LEU 5 Ca 0.50 2.00 0.03 0.00 -1.03 0.00 0.00 54.13 55.63 2kbn s LEU 5 Cb -0.01 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 42.14 2kbn s LEU 5 CO -0.07 -0.32 -0.19 -0.89 0.23 0.00 0.00 176.35 175.10 2kbn s THR 6 N -1.60 1.69 0.37 5.49 2.01 -0.74 -4.87 115.64 118.00 2kbn s THR 6 Ca 0.54 -0.81 -0.19 0.00 0.31 0.00 0.00 61.69 61.54 2kbn s THR 6 Cb -0.22 -1.48 -0.10 0.00 0.01 0.00 0.00 72.50 70.71 2kbn s THR 6 CO 0.28 0.48 0.85 -0.54 -0.69 0.00 0.00 174.62 175.00 2kbn s LYS 7 N 0.43 4.16 0.16 4.92 1.02 -1.26 -4.69 119.74 124.48 2kbn s LYS 7 Ca -0.16 0.94 -0.13 0.00 0.02 0.00 0.00 55.97 56.64 2kbn s LYS 7 Cb -0.17 -2.35 0.05 0.00 -0.52 0.00 0.00 37.83 34.84 2kbn s LYS 7 CO 0.07 0.09 1.72 0.82 -0.92 0.00 0.00 175.35 177.12 2kbn h ILE 8 N 2.02 1.22 0.00 2.17 2.04 -1.96 -1.94 117.51 121.05 2kbn h ILE 8 Ca -0.48 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 2kbn h ILE 8 Cb 1.18 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2kbn h ILE 8 CO 0.63 0.26 -0.08 1.62 0.00 0.00 0.00 178.15 180.58 2kbn h VAL 9 N 0.74 0.47 0.00 1.67 3.04 -1.94 -0.20 116.25 120.03 2kbn h VAL 9 Ca 0.18 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2kbn h VAL 9 Cb 0.19 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2kbn h VAL 9 CO -0.02 0.08 0.00 -0.67 -1.01 0.00 0.00 177.57 175.95 2kbn n ASP 10 N -3.59 0.00 -4.56 3.17 2.03 -0.73 -4.60 116.55 108.27 2kbn n ASP 10 Ca -0.02 -0.26 -0.31 0.00 0.52 0.00 0.00 54.79 54.72 2kbn n ASP 10 Cb 0.20 -0.19 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 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 -2.39 3.47 -0.01 5.18 -1.09 -0.09 -4.59 121.20 121.69 2kbn s ILE 11 Ca 0.26 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.49 2kbn s ILE 11 Cb 0.16 -4.11 -0.09 0.00 -1.58 0.00 0.00 42.46 36.84 2kbn s ILE 11 CO 0.32 -1.05 0.12 1.33 -1.23 0.00 0.00 174.94 174.43 2kbn n VAL 12 N 7.59 0.02 -3.94 2.92 0.24 -1.26 -5.02 118.33 118.89 2kbn n VAL 12 Ca 0.34 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 62.38 2kbn n VAL 12 Cb 0.49 0.30 -0.14 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.38 0.11 0.58 7.34 2.02 -1.26 -5.16 118.70 119.96 2kbn s GLU 13 Ca -0.02 -0.08 -0.02 0.00 0.02 0.00 0.00 54.97 54.87 2kbn s GLU 13 Cb 0.04 -0.09 0.03 0.00 0.10 0.00 0.00 34.13 34.21 2kbn s GLU 13 CO 0.23 0.02 0.85 0.54 0.02 0.00 0.00 175.26 176.92 2kbn s ASN 14 N -0.11 5.32 0.00 -0.19 2.20 -1.26 -4.28 114.94 116.61 2kbn s ASN 14 Ca -0.00 0.31 0.00 0.00 -0.94 0.00 0.00 52.86 52.23 2kbn s ASN 14 Cb -0.01 -1.22 0.00 0.00 -2.00 0.00 0.00 41.25 38.02 2kbn s ASN 14 CO -0.00 -1.17 0.00 0.61 -2.94 0.00 0.00 177.10 173.60 2kbn n GLY 15 N -2.50 0.44 3.76 0.45 0.00 0.99 -4.99 105.19 103.34 2kbn n GLY 15 Ca 0.06 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.14 4.13 -0.09 1.61 0.74 -1.26 -4.80 119.66 118.85 2kbn s GLN 16 Ca 0.00 0.11 -0.14 0.00 0.05 0.00 0.00 55.36 55.37 2kbn s GLN 16 Cb 0.00 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 2kbn s GLN 16 CO 0.00 0.35 0.35 -1.58 -0.55 0.00 0.00 175.29 173.86 2kbn s TRP 17 N 0.12 3.57 0.00 1.67 0.52 -1.26 -2.16 118.94 121.40 2kbn s TRP 17 Ca 0.17 0.78 0.00 0.00 0.02 0.00 0.00 56.10 57.07 2kbn s TRP 17 Cb -0.13 -2.33 0.00 0.00 -1.15 0.00 0.00 33.47 29.86 2kbn s TRP 17 CO 0.05 0.41 0.00 0.00 0.02 0.00 0.00 176.95 177.43 2kbn n ALA 18 N 2.85 0.00 -2.74 0.98 0.00 -1.06 -4.97 120.51 115.57 2kbn n ALA 18 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 2kbn n ALA 18 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 2kbn n ALA 18 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kbn s ASN 19 N -0.84 5.26 -0.08 0.00 0.01 -0.90 -2.41 114.94 115.98 2kbn s ASN 19 Ca 0.00 -0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 51.99 2kbn s ASN 19 Cb 0.00 -1.31 0.03 0.00 0.41 0.00 0.00 41.25 40.37 2kbn s ASN 19 CO 0.00 0.13 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.48 2kbn s LEU 20 N -2.64 0.77 -0.16 0.60 1.98 -0.01 -1.79 118.68 117.42 2kbn s LEU 20 Ca 0.28 -0.14 -0.02 0.00 -2.89 0.00 0.00 54.13 51.36 2kbn s LEU 20 Cb -0.11 -0.55 -0.01 0.00 0.66 0.00 0.00 46.19 46.18 2kbn s LEU 20 CO 0.21 -0.17 -0.09 -0.75 -1.89 0.00 0.00 176.35 173.66 2kbn s LYS 21 N 1.87 3.43 0.04 1.98 2.20 -1.26 -0.67 119.74 127.33 2kbn s LYS 21 Ca 0.05 -0.63 -0.04 0.00 -0.36 0.00 0.00 55.97 54.98 2kbn s LYS 21 Cb -0.12 -2.81 0.02 0.00 -1.51 0.00 0.00 37.83 33.40 2kbn s LYS 21 CO -0.06 0.08 0.20 0.00 -0.36 0.00 0.00 175.35 175.21 2kbn n ALA 22 N 3.96 -0.53 -2.44 3.13 0.00 -1.11 -4.95 120.51 118.57 2kbn n ALA 22 Ca -0.18 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 2kbn n ALA 22 Cb 0.52 0.11 -0.16 0.00 0.00 0.00 0.00 19.45 19.92 2kbn n ALA 22 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kbn s LYS 23 N -2.01 2.27 -0.92 0.00 2.20 -1.00 -1.89 119.74 118.38 2kbn s LYS 23 Ca 0.05 -0.90 -0.21 0.00 -0.36 0.00 0.00 55.97 54.55 2kbn s LYS 23 Cb -0.01 -2.11 0.09 0.00 -1.51 0.00 0.00 37.83 34.30 2kbn s LYS 23 CO 0.01 0.52 1.22 0.08 -0.36 0.00 0.00 175.35 176.82 2kbn s VAL 24 N -0.51 4.38 0.10 4.02 1.01 -1.10 -0.74 120.40 127.56 2kbn s VAL 24 Ca 0.07 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 2kbn s VAL 24 Cb -0.11 -4.87 -0.09 0.00 0.00 0.00 0.00 36.38 31.32 2kbn s VAL 24 CO 0.00 -1.66 1.42 0.40 0.00 0.00 0.00 175.10 175.26 2kbn h ILE 25 N 6.17 1.30 -3.31 2.22 2.04 -1.90 -1.89 117.51 122.15 2kbn h ILE 25 Ca 0.11 -1.46 -0.54 0.00 1.00 0.00 0.00 64.86 63.96 2kbn h ILE 25 Cb 1.03 1.60 -0.35 0.00 -0.74 0.00 0.00 36.82 38.36 2kbn h ILE 25 CO 1.23 0.47 -0.82 -1.10 0.00 0.00 0.00 178.15 177.92 2kbn s GLN 26 N -4.34 1.85 -0.09 2.37 -1.52 -1.25 -4.64 119.66 112.04 2kbn s GLN 26 Ca -0.12 -0.43 0.04 0.00 -1.95 0.00 0.00 55.36 52.90 2kbn s GLN 26 Cb 0.09 -1.63 0.00 0.00 -0.22 0.00 0.00 33.01 31.25 2kbn s GLN 26 CO 0.83 -0.08 -0.22 -1.17 -0.25 0.00 0.00 175.29 174.41 2kbn s LEU 27 N 1.03 1.99 -0.10 2.90 0.20 -1.26 -2.63 118.68 120.82 2kbn s LEU 27 Ca -0.07 -0.50 -0.02 0.00 0.69 0.00 0.00 54.13 54.24 2kbn s LEU 27 Cb -0.15 -1.28 0.03 0.00 -0.43 0.00 0.00 46.19 44.37 2kbn s LEU 27 CO -0.01 0.14 0.01 0.26 -0.29 0.00 0.00 176.35 176.46 2kbn s TRP 28 N 0.36 0.76 0.07 5.38 0.52 -0.30 -5.02 118.94 120.71 2kbn s TRP 28 Ca -0.17 -0.33 -0.10 0.00 0.02 0.00 0.00 56.10 55.52 2kbn s TRP 28 Cb -0.17 -0.86 -0.06 0.00 -1.15 0.00 0.00 33.47 31.23 2kbn s TRP 28 CO 0.07 -0.40 0.40 -2.00 0.02 0.00 0.00 176.95 175.04 2kbn s GLU 29 N 1.94 3.77 0.34 4.98 2.12 -1.26 -0.29 118.70 130.30 2kbn s GLU 29 Ca 0.04 0.19 0.09 0.00 0.36 0.00 0.00 54.97 55.65 2kbn s GLU 29 Cb -0.13 -3.02 -0.06 0.00 0.26 0.00 0.00 34.13 31.18 2kbn s GLU 29 CO -0.06 0.58 -0.02 0.54 -0.54 0.00 0.00 175.26 175.76 2kbn s ASN 30 N -1.68 4.05 0.00 -1.70 2.20 -1.08 -4.92 114.94 111.81 2kbn s ASN 30 Ca 0.32 -1.05 0.23 0.00 -0.94 0.00 0.00 52.86 51.41 2kbn s ASN 30 Cb -0.14 -0.48 0.65 0.00 -2.00 0.00 0.00 41.25 39.28 2kbn s ASN 30 CO 0.17 -0.22 1.51 0.41 -2.94 0.00 0.00 177.10 176.03 2kbn n THR 31 N -0.91 0.24 -1.90 0.54 -1.04 -1.26 -4.80 114.28 105.16 2kbn n THR 31 Ca -0.04 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.10 2kbn n THR 31 Cb 0.63 0.65 -0.03 0.00 -1.82 0.00 0.00 70.33 69.76 2kbn n THR 31 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2kbn s HIS 32 N -1.76 2.98 -0.13 -1.42 3.76 -1.26 -4.89 115.29 112.57 2kbn s HIS 32 Ca 0.34 0.72 0.21 0.00 -0.15 0.00 0.00 55.06 56.18 2kbn s HIS 32 Cb 0.19 -3.95 0.46 0.00 1.11 0.00 0.00 32.58 30.39 2kbn s HIS 32 CO 0.29 -3.36 1.63 1.49 -0.85 0.00 0.00 174.74 173.94 2kbn h GLU 33 N 6.02 0.00 0.00 1.40 4.81 -1.97 -3.07 114.58 121.77 2kbn h GLU 33 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2kbn h GLU 33 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2kbn h GLU 33 CO 0.86 0.26 -0.61 0.66 -0.73 0.00 0.00 179.01 179.45 2kbn h SER 34 N 0.00 0.00 -3.48 1.04 4.64 -2.00 -3.45 113.55 110.30 2kbn h SER 34 Ca -0.00 -0.10 -0.46 0.00 -0.47 0.00 0.00 61.79 60.76 2kbn h SER 34 Cb 1.05 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.81 2kbn h SER 34 CO 0.03 0.05 -0.79 -0.63 -0.87 0.00 0.00 176.83 174.62 2kbn s ILE 35 N -3.23 0.85 0.00 0.95 1.01 -1.16 -4.52 121.20 115.10 2kbn s ILE 35 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.37 2kbn s ILE 35 Cb 0.11 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.77 2kbn s ILE 35 CO 0.73 0.29 0.17 -0.24 0.00 0.00 0.00 174.94 175.89 2kbn n SER 36 N 3.84 0.00 -4.07 3.58 2.88 -0.45 -4.11 113.62 115.29 2kbn n SER 36 Ca -0.24 0.35 -0.08 0.00 -1.33 0.00 0.00 58.87 57.57 2kbn n SER 36 Cb 0.52 -0.23 -0.09 0.00 -0.75 0.00 0.00 64.21 63.65 2kbn n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbn s GLN 37 N -0.81 0.80 0.10 -1.46 -2.07 -1.24 -2.62 119.66 112.36 2kbn s GLN 37 Ca 0.00 -1.27 0.04 0.00 -1.82 0.00 0.00 55.36 52.32 2kbn s GLN 37 Cb 0.00 0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 2kbn s GLN 37 CO 0.00 -0.21 -0.11 0.14 -1.32 0.00 0.00 175.29 173.79 2kbn s VAL 38 N -3.96 1.05 0.00 3.63 -7.23 0.61 -2.39 120.40 112.10 2kbn s VAL 38 Ca 0.14 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2kbn s VAL 38 Cb 0.07 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.64 2kbn s VAL 38 CO -0.05 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 2kbn n GLY 39 N 0.61 0.49 3.06 2.32 0.00 -1.08 -1.15 105.19 109.43 2kbn n GLY 39 Ca -0.16 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 2.27 0.28 0.99 0.05 -1.08 -1.36 118.68 119.83 2kbn s LEU 40 Ca 0.00 -0.57 0.08 0.00 0.05 0.00 0.00 54.13 53.69 2kbn s LEU 40 Cb 0.00 -0.13 -0.04 0.00 -2.05 0.00 0.00 46.19 43.98 2kbn s LEU 40 CO 0.00 -0.23 0.18 -0.76 -0.55 0.00 0.00 176.35 174.99 2kbn s LEU 41 N -1.65 3.63 -0.02 1.48 1.43 0.28 -3.60 118.68 120.22 2kbn s LEU 41 Ca -0.09 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2kbn s LEU 41 Cb -0.09 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.99 2kbn s LEU 41 CO -0.00 -0.11 0.03 -0.83 0.23 0.00 0.00 176.35 175.66 2kbn s GLY 42 N -3.84 0.08 0.00 -3.19 0.00 0.08 -2.46 107.32 97.99 2kbn s GLY 42 Ca 0.35 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.32 2kbn s GLY 42 CO 0.24 0.57 0.00 2.09 0.00 0.00 0.00 173.10 176.00 2kbn n ASP 43 N 3.97 0.00 0.06 1.64 5.68 -0.32 -2.38 116.55 125.20 2kbn n ASP 43 Ca -0.25 -0.71 0.12 0.00 -0.50 0.00 0.00 54.79 53.46 2kbn n ASP 43 Cb 0.52 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.98 2kbn n ASP 43 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2kbn n GLU 44 N 0.00 0.12 0.00 0.11 0.28 -1.26 -2.67 120.64 117.22 2kbn n GLU 44 Ca 0.00 0.18 0.12 0.00 -0.16 0.00 0.00 57.16 57.30 2kbn n GLU 44 Cb 0.00 -1.66 0.29 0.00 1.43 0.00 0.00 31.44 31.50 2kbn n GLU 44 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2kbn n THR 45 N -1.88 0.00 0.00 3.84 -2.24 -1.26 -5.06 114.28 107.68 2kbn n THR 45 Ca 0.05 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2kbn n THR 45 Cb 0.33 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.37 0.30 3.26 3.38 0.00 -1.09 -3.75 105.19 108.66 2kbn n GLY 46 Ca 0.11 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.55 1.41 -0.11 -0.61 -4.36 -1.26 -1.17 121.20 114.55 2kbn s ILE 47 Ca 0.00 -1.76 -0.17 0.00 -0.26 0.00 0.00 60.65 58.45 2kbn s ILE 47 Cb 0.00 -1.59 0.04 0.00 1.25 0.00 0.00 42.46 42.16 2kbn s ILE 47 CO 0.00 -0.41 0.44 -0.51 0.24 0.00 0.00 174.94 174.70 2kbn s ILE 48 N -2.16 0.02 0.38 8.37 2.07 -1.03 -4.95 121.20 123.90 2kbn s ILE 48 Ca 0.10 -0.15 -0.17 0.00 -1.41 0.00 0.00 60.65 59.02 2kbn s ILE 48 Cb -0.05 -0.68 -0.09 0.00 0.13 0.00 0.00 42.46 41.77 2kbn s ILE 48 CO 0.04 -0.08 0.83 -0.54 -1.91 0.00 0.00 174.94 173.27 2kbn s LYS 49 N -0.44 4.06 0.02 3.50 1.02 -1.26 -0.56 119.74 126.09 2kbn s LYS 49 Ca -0.06 0.83 -0.04 0.00 0.02 0.00 0.00 55.97 56.73 2kbn s LYS 49 Cb -0.03 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2kbn s LYS 49 CO 0.03 0.04 0.05 -0.59 -0.92 0.00 0.00 175.35 173.97 2kbn s PHE 50 N -2.13 0.20 -0.03 3.18 -0.71 -0.46 -1.70 117.98 116.32 2kbn s PHE 50 Ca 0.57 -0.45 0.01 0.00 -1.04 0.00 0.00 56.93 56.02 2kbn s PHE 50 Cb -0.10 -0.15 0.02 0.00 -1.21 0.00 0.00 43.02 41.58 2kbn s PHE 50 CO 0.18 -0.28 -0.04 0.99 -1.34 0.00 0.00 175.22 174.73 2kbn s THR 51 N -1.95 0.46 -0.18 -4.49 2.01 -0.94 -2.63 115.64 107.92 2kbn s THR 51 Ca -0.11 -0.12 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 2kbn s THR 51 Cb -0.05 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 2kbn s THR 51 CO -0.02 0.19 0.02 -0.63 -0.69 0.00 0.00 174.62 173.49 2kbn s ILE 52 N 0.69 4.39 0.05 1.82 1.01 -1.01 -1.80 121.20 126.36 2kbn s ILE 52 Ca -0.09 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 2kbn s ILE 52 Cb -0.12 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2kbn s ILE 52 CO -0.00 0.46 0.36 0.26 0.00 0.00 0.00 174.94 176.03 2kbn s TRP 53 N 0.47 3.60 -1.28 3.97 0.52 -1.09 -1.34 118.94 123.79 2kbn s TRP 53 Ca 0.00 0.76 0.10 0.00 0.02 0.00 0.00 56.10 56.98 2kbn s TRP 53 Cb -0.13 -2.13 0.49 0.00 -1.15 0.00 0.00 33.47 30.55 2kbn s TRP 53 CO 0.02 0.56 1.26 1.63 0.02 0.00 0.00 176.95 180.43 2kbn n LYS 54 N 1.08 0.10 -0.31 4.98 5.02 -1.26 -2.60 118.16 125.16 2kbn n LYS 54 Ca -0.10 0.24 -0.05 0.00 -2.02 0.00 0.00 58.31 56.38 2kbn n LYS 54 Cb 0.52 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.11 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 1.07 0.79 4.39 2.35 -1.92 -0.25 115.58 122.02 2kbn h ASN 55 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2kbn h ASN 55 Cb 0.13 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.22 2kbn h ASN 55 CO 0.00 0.88 0.00 0.00 -1.65 0.00 0.00 177.43 176.66 2kbn n ALA 56 N -2.40 1.89 -4.12 -0.83 0.00 -1.07 -4.61 120.51 109.36 2kbn n ALA 56 Ca 0.08 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 2kbn n ALA 56 Cb 0.11 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.78 -2.75 -3.77 0.00 -0.58 -0.11 -4.86 120.64 106.80 2kbn n GLU 57 Ca 0.04 0.33 -0.31 0.00 -0.42 0.00 0.00 57.16 56.81 2kbn n GLU 57 Cb 0.26 -4.54 -0.04 0.00 -0.57 0.00 0.00 31.44 26.54 2kbn n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kbn s LEU 58 N -7.14 4.29 0.78 -4.62 1.43 -1.26 -5.09 118.68 107.07 2kbn s LEU 58 Ca 0.25 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 2kbn s LEU 58 Cb -0.14 -3.16 0.06 0.00 0.03 0.00 0.00 46.19 42.98 2kbn s LEU 58 CO 0.92 0.08 1.10 -2.16 0.23 0.00 0.00 176.35 176.52 2kbn s PRO 59 N -2.73 2.18 0.33 1.29 0.04 -1.26 -4.97 135.00 129.88 2kbn s PRO 59 Ca 0.38 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 2kbn s PRO 59 Cb -0.12 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2kbn s PRO 59 CO 0.27 -1.71 1.38 -0.51 0.04 0.00 0.00 177.00 176.47 2kbn s LEU 60 N -5.90 4.39 0.46 -3.56 1.43 -1.26 -4.98 118.68 109.26 2kbn s LEU 60 Ca 0.62 2.79 -0.21 0.00 -1.03 0.00 0.00 54.13 56.30 2kbn s LEU 60 Cb -0.18 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 2kbn s LEU 60 CO 0.55 -0.66 1.00 -0.76 0.23 0.00 0.00 176.35 176.72 2kbn s LEU 61 N -1.62 3.89 -0.26 1.79 1.02 -1.26 -4.99 118.68 117.25 2kbn s LEU 61 Ca 0.52 1.84 -0.28 0.00 0.02 0.00 0.00 54.13 56.23 2kbn s LEU 61 Cb -0.42 -4.54 0.01 0.00 0.02 0.00 0.00 46.19 41.26 2kbn s LEU 61 CO 0.54 -0.61 1.00 -0.70 0.02 0.00 0.00 176.35 176.60 2kbn s GLU 62 N -3.18 4.18 0.25 1.70 2.56 -1.26 -4.99 118.70 117.95 2kbn s GLU 62 Ca 0.65 1.17 -0.30 0.00 0.00 0.00 0.00 54.97 56.49 2kbn s GLU 62 Cb -0.14 -3.67 -0.10 0.00 2.00 0.00 0.00 34.13 32.22 2kbn s GLU 62 CO 0.17 -0.69 1.48 -1.14 -0.56 0.00 0.00 175.26 174.53 2kbn s GLN 63 N 3.25 4.23 0.00 4.30 0.74 -1.26 -2.89 119.66 128.03 2kbn s GLN 63 Ca 0.42 2.37 0.00 0.00 0.05 0.00 0.00 55.36 58.20 2kbn s GLN 63 Cb -0.14 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.87 2kbn s GLN 63 CO 0.09 -0.48 0.00 0.41 -0.55 0.00 0.00 175.29 174.76 2kbn n GLY 64 N 2.32 0.68 3.09 2.59 0.00 -0.71 -5.07 105.19 108.10 2kbn n GLY 64 Ca 0.08 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.16 0.62 0.26 1.61 0.41 -1.14 -4.97 118.70 112.33 2kbn s GLU 65 Ca 0.00 -0.98 -0.27 0.00 -0.41 0.00 0.00 54.97 53.31 2kbn s GLU 65 Cb 0.00 -0.18 -0.09 0.00 -1.78 0.00 0.00 34.13 32.08 2kbn s GLU 65 CO 0.00 0.00 0.90 -1.12 -0.49 0.00 0.00 175.26 174.55 2kbn s SER 66 N -2.18 7.44 0.01 -0.19 0.01 -1.26 -2.70 113.70 114.82 2kbn s SER 66 Ca -0.02 1.81 -0.01 0.00 1.31 0.00 0.00 55.95 59.04 2kbn s SER 66 Cb -0.03 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2kbn s SER 66 CO -0.02 0.07 0.01 -0.31 0.41 0.00 0.00 173.24 173.39 2kbn s TYR 67 N -1.37 0.14 -0.22 2.43 2.02 -0.80 -2.63 117.35 116.93 2kbn s TYR 67 Ca 0.44 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.81 2kbn s TYR 67 Cb -0.22 -0.11 -0.01 0.00 -0.40 0.00 0.00 41.96 41.22 2kbn s TYR 67 CO 0.27 -0.15 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.89 2kbn s LEU 68 N -0.99 2.93 -0.16 -1.29 2.96 -0.86 -2.74 118.68 118.53 2kbn s LEU 68 Ca -0.11 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 2kbn s LEU 68 Cb -0.07 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2kbn s LEU 68 CO -0.00 -0.00 0.08 -0.76 -1.32 0.00 0.00 176.35 174.34 2kbn s LEU 69 N 1.39 3.95 0.08 -0.68 1.43 0.15 -2.57 118.68 122.44 2kbn s LEU 69 Ca 0.05 0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 2kbn s LEU 69 Cb -0.14 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2kbn s LEU 69 CO -0.02 0.25 -0.18 -0.13 0.23 0.00 0.00 176.35 176.49 2kbn s ARG 70 N -0.06 1.02 -1.15 1.70 0.52 -0.98 -0.83 118.95 119.17 2kbn s ARG 70 Ca 0.07 -1.04 -0.13 0.00 -0.52 0.00 0.00 55.73 54.11 2kbn s ARG 70 Cb -0.12 -1.17 -0.02 0.00 0.52 0.00 0.00 34.95 34.16 2kbn s ARG 70 CO 0.01 0.27 0.80 -1.13 0.02 0.00 0.00 175.30 175.27 2kbn n SER 71 N 1.27 -4.81 -4.63 0.23 3.41 -1.23 -2.64 113.62 105.22 2kbn n SER 71 Ca -0.20 -0.90 -0.25 0.00 -0.26 0.00 0.00 58.87 57.27 2kbn n SER 71 Cb 0.54 -3.99 -0.09 0.00 -0.26 0.00 0.00 64.21 60.42 2kbn n SER 71 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2kbn s VAL 72 N -3.49 2.60 -0.06 -3.33 -7.23 -1.01 -4.09 120.40 103.79 2kbn s VAL 72 Ca 0.38 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 2kbn s VAL 72 Cb -0.11 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 2kbn s VAL 72 CO 0.82 -0.19 -0.16 0.54 -0.31 0.00 0.00 175.10 175.79 2kbn s VAL 73 N -2.52 2.86 -0.50 1.32 0.11 -1.19 -2.57 120.40 117.90 2kbn s VAL 73 Ca 0.35 -0.79 -0.25 0.00 -2.93 0.00 0.00 61.98 58.36 2kbn s VAL 73 Cb 0.00 -2.11 0.03 0.00 -1.53 0.00 0.00 36.38 32.77 2kbn s VAL 73 CO 0.19 0.58 0.94 -0.69 -3.33 0.00 0.00 175.10 172.79 2kbn s VAL 74 N -0.48 4.42 0.81 2.04 1.01 -0.92 -1.31 120.40 125.97 2kbn s VAL 74 Ca 0.06 0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 2kbn s VAL 74 Cb -0.12 -4.48 0.15 0.00 0.00 0.00 0.00 36.38 31.93 2kbn s VAL 74 CO 0.02 -0.95 1.11 -0.83 0.00 0.00 0.00 175.10 174.44 2kbn s GLY 75 N 2.49 1.77 -0.13 4.51 0.00 0.86 -0.00 107.32 116.82 2kbn s GLY 75 Ca 0.35 -1.54 -0.03 0.00 0.00 0.00 0.00 44.72 43.50 2kbn s GLY 75 CO 0.24 -0.90 -0.01 -1.83 0.00 0.00 0.00 173.10 170.60 2kbn s GLU 76 N -5.41 3.38 0.01 2.90 -1.05 -1.26 -2.54 118.70 114.73 2kbn s GLU 76 Ca 0.69 -0.46 0.02 0.00 -0.15 0.00 0.00 54.97 55.08 2kbn s GLU 76 Cb -0.05 -2.88 -0.04 0.00 -0.44 0.00 0.00 34.13 30.73 2kbn s GLU 76 CO 0.47 0.46 -0.02 -0.47 0.95 0.00 0.00 175.26 176.65 2kbn s TYR 77 N -0.21 3.01 -0.74 4.83 5.04 -0.77 -4.80 117.35 123.71 2kbn s TYR 77 Ca 0.05 0.04 -0.10 0.00 -2.44 0.00 0.00 57.07 54.61 2kbn s TYR 77 Cb -0.13 -1.64 -0.08 0.00 0.35 0.00 0.00 41.96 40.46 2kbn s TYR 77 CO 0.02 0.44 1.92 -1.71 -1.34 0.00 0.00 175.55 174.88 2kbn n ASN 78 N 1.35 3.61 0.00 4.32 2.85 -1.26 -1.78 115.26 124.35 2kbn n ASN 78 Ca -0.14 -2.39 0.00 0.00 -0.11 0.00 0.00 54.58 51.94 2kbn n ASN 78 Cb 0.53 -1.01 0.00 0.00 1.24 0.00 0.00 39.78 40.53 2kbn n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kbn n ASP 79 N 5.32 0.00 0.00 1.20 2.03 -1.26 -5.12 116.55 118.72 2kbn n ASP 79 Ca 0.41 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2kbn n ASP 79 Cb 0.20 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 2kbn n ASP 79 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kbn n ARG 80 N 0.00 0.00 -4.18 -0.67 0.63 -0.73 -5.17 116.66 106.54 2kbn n ARG 80 Ca 0.00 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.76 2kbn n ARG 80 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 2kbn n ARG 80 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2kbn s PHE 81 N 1.18 1.18 0.11 -0.14 0.08 -1.26 -1.85 117.98 117.28 2kbn s PHE 81 Ca 0.00 -0.53 -0.06 0.00 0.12 0.00 0.00 56.93 56.46 2kbn s PHE 81 Cb 0.00 -0.65 -0.02 0.00 -0.57 0.00 0.00 43.02 41.78 2kbn s PHE 81 CO 0.00 0.05 0.16 1.14 -0.10 0.00 0.00 175.22 176.48 2kbn s GLN 82 N -2.18 0.92 -0.13 0.44 -2.07 -1.05 -4.09 119.66 111.49 2kbn s GLN 82 Ca 0.02 -1.14 -0.03 0.00 -1.82 0.00 0.00 55.36 52.39 2kbn s GLN 82 Cb -0.07 0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2kbn s GLN 82 CO 0.02 -0.29 -0.04 0.14 -1.32 0.00 0.00 175.29 173.79 2kbn s VAL 83 N -3.93 3.85 -0.14 3.63 -7.23 -0.69 -0.10 120.40 115.79 2kbn s VAL 83 Ca 0.12 -0.38 -0.04 0.00 -1.81 0.00 0.00 61.98 59.86 2kbn s VAL 83 Cb 0.05 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 2kbn s VAL 83 CO -0.05 0.52 -0.00 -1.10 -0.31 0.00 0.00 175.10 174.16 2kbn s GLN 84 N 0.04 3.58 -0.20 4.82 -0.21 -0.43 -2.21 119.66 125.05 2kbn s GLN 84 Ca -0.00 -0.45 -0.11 0.00 0.02 0.00 0.00 55.36 54.83 2kbn s GLN 84 Cb -0.13 -2.96 -0.05 0.00 1.00 0.00 0.00 33.01 30.87 2kbn s GLN 84 CO 0.03 0.37 0.16 0.08 -2.12 0.00 0.00 175.29 173.80 2kbn s VAL 85 N 0.05 5.39 0.30 1.09 1.01 -0.74 -3.20 120.40 124.30 2kbn s VAL 85 Ca 0.02 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 2kbn s VAL 85 Cb -0.13 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2kbn s VAL 85 CO 0.02 0.42 0.35 0.20 0.00 0.00 0.00 175.10 176.09 2kbn s ASN 86 N 0.43 0.92 0.98 3.32 0.01 -1.26 -2.68 114.94 116.66 2kbn s ASN 86 Ca 0.09 -1.50 -0.17 0.00 -0.71 0.00 0.00 52.86 50.57 2kbn s ASN 86 Cb -0.11 0.57 -0.14 0.00 0.41 0.00 0.00 41.25 41.98 2kbn s ASN 86 CO -0.01 -1.13 -0.70 1.17 -1.51 0.00 0.00 177.10 174.93 2kbn n LYS 87 N -0.51 -0.02 0.00 -0.60 4.81 -1.26 -1.11 118.16 119.47 2kbn n LYS 87 Ca 0.03 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2kbn n LYS 87 Cb 0.63 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.61 2kbn n LYS 87 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2kbn n ASN 88 N 3.11 0.00 -4.80 3.14 5.15 -1.26 -4.96 115.26 115.65 2kbn n ASN 88 Ca -0.01 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.64 2kbn n ASN 88 Cb 0.56 -0.03 0.02 0.00 -0.53 0.00 0.00 39.78 39.79 2kbn n ASN 88 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2kbn s SER 89 N -0.46 5.68 0.07 1.20 1.04 -0.27 -4.81 113.70 116.14 2kbn s SER 89 Ca 0.00 1.87 0.04 0.00 0.48 0.00 0.00 55.95 58.34 2kbn s SER 89 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2kbn s SER 89 CO 0.00 -1.24 -0.12 -0.44 0.98 0.00 0.00 173.24 172.42 2kbn s SER 90 N -2.68 1.45 -0.06 7.02 0.01 -1.08 -4.98 113.70 113.38 2kbn s SER 90 Ca 0.65 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.31 2kbn s SER 90 Cb -0.17 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.05 2kbn s SER 90 CO 0.37 -0.13 -0.11 -0.63 0.41 0.00 0.00 173.24 173.16 2kbn s ILE 91 N -1.41 0.99 -0.07 1.44 1.01 -1.26 -2.31 121.20 119.58 2kbn s ILE 91 Ca -0.03 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.24 2kbn s ILE 91 Cb -0.09 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.47 2kbn s ILE 91 CO 0.02 0.32 -0.15 -0.70 0.00 0.00 0.00 174.94 174.42 2kbn s GLU 92 N 0.65 1.98 0.03 2.79 2.56 -1.06 -4.96 118.70 120.69 2kbn s GLU 92 Ca -0.13 -0.54 -0.30 0.00 0.00 0.00 0.00 54.97 54.01 2kbn s GLU 92 Cb -0.15 -1.60 -0.04 0.00 2.00 0.00 0.00 34.13 34.34 2kbn s GLU 92 CO 0.03 0.09 0.97 0.21 -0.56 0.00 0.00 175.26 176.00 2kbn s LYS 93 N 0.49 4.59 -0.10 4.30 2.20 -1.26 -2.03 119.74 127.92 2kbn s LYS 93 Ca -0.14 1.41 -0.12 0.00 -0.36 0.00 0.00 55.97 56.77 2kbn s LYS 93 Cb -0.15 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 2kbn s LYS 93 CO 0.05 0.03 0.27 -0.51 -0.36 0.00 0.00 175.35 174.83 2kbn s LEU 94 N 0.72 4.35 0.00 5.43 2.01 -1.08 -4.96 118.68 125.15 2kbn s LEU 94 Ca 0.50 0.61 0.29 0.00 0.01 0.00 0.00 54.13 55.55 2kbn s LEU 94 Cb -0.22 -2.33 1.28 0.00 0.01 0.00 0.00 46.19 44.93 2kbn s LEU 94 CO 0.28 0.26 1.89 -1.20 1.01 0.00 0.00 176.35 178.59 2kbn n SER 95 N 2.59 0.52 -4.00 2.29 7.64 -1.26 -4.50 113.62 116.90 2kbn n SER 95 Ca -0.15 -0.71 -0.32 0.00 1.01 0.00 0.00 58.87 58.70 2kbn n SER 95 Cb 0.53 -0.06 -0.13 0.00 -1.01 0.00 0.00 64.21 63.55 2kbn n SER 95 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2kbn s GLU 96 N -2.38 2.13 0.55 1.43 2.56 -1.26 -5.10 118.70 116.63 2kbn s GLU 96 Ca 0.32 -2.52 -0.20 0.00 0.00 0.00 0.00 54.97 52.56 2kbn s GLU 96 Cb 0.20 -3.45 -0.06 0.00 2.00 0.00 0.00 34.13 32.83 2kbn s GLU 96 CO 0.45 -1.12 1.07 -2.30 -0.56 0.00 0.00 175.26 172.80 2kbn n PRO 97 N 3.35 1.18 -3.53 4.30 -0.02 -1.26 -4.92 135.00 134.09 2kbn n PRO 97 Ca 0.06 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 2kbn n PRO 97 Cb 0.35 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 2kbn n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kbn s ILE 98 N -1.41 5.30 -0.17 4.25 1.01 -1.26 -5.05 121.20 123.86 2kbn s ILE 98 Ca 0.72 0.54 -0.20 0.00 0.00 0.00 0.00 60.65 61.71 2kbn s ILE 98 Cb -0.44 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2kbn s ILE 98 CO 0.49 0.37 0.58 -1.61 0.00 0.00 0.00 174.94 174.77 2kbn s GLU 99 N 0.61 4.25 0.00 2.79 0.41 -1.26 -4.92 118.70 120.57 2kbn s GLU 99 Ca 0.16 0.55 0.21 0.00 -0.41 0.00 0.00 54.97 55.48 2kbn s GLU 99 Cb -0.13 -3.54 0.08 0.00 -1.78 0.00 0.00 34.13 28.76 2kbn s GLU 99 CO 0.04 -0.12 1.09 1.33 -0.49 0.00 0.00 175.26 177.11 2kbn n VAL 100 N 4.39 0.00 0.00 2.63 0.24 -1.26 -4.87 118.33 119.47 2kbn n VAL 100 Ca -0.03 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2kbn n VAL 100 Cb 0.50 1.34 0.00 0.00 -1.47 0.00 0.00 33.84 34.21 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 1.27 1.19 0.22 7.63 0.00 -1.26 -4.99 105.19 109.25 2kbn n GLY 101 Ca 0.10 0.53 0.13 0.00 0.00 0.00 0.00 46.02 46.78 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 0.95 -4.57 0.99 4.77 -1.26 -4.78 117.00 113.10 2kbn n LEU 102 Ca 0.00 -0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.33 2kbn n LEU 102 Cb 0.00 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2kbn n LEU 102 CO 0.00 0.18 0.96 -1.61 -1.33 0.00 0.00 177.39 175.59 2kbn s GLU 103 N -2.52 3.54 -0.39 3.23 2.02 -1.26 -4.83 118.70 118.49 2kbn s GLU 103 Ca 0.24 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.46 2kbn s GLU 103 Cb 0.19 -3.98 0.25 0.00 0.10 0.00 0.00 34.13 30.69 2kbn s GLU 103 CO 0.52 -1.51 1.08 1.58 0.02 0.00 0.00 175.26 176.95 2kbn n HIS 104 N 7.94 -1.67 -3.65 1.61 -0.00 -1.26 -5.15 115.22 113.03 2kbn n HIS 104 Ca 0.08 -1.08 -0.11 0.00 0.46 0.00 0.00 57.72 57.07 2kbn n HIS 104 Cb 0.49 1.27 -0.08 0.00 -0.12 0.00 0.00 29.99 31.55 2kbn n HIS 104 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kbn s HIS 105 N 0.43 -0.84 0.00 1.57 5.04 -1.26 -5.08 115.29 115.16 2kbn s HIS 105 Ca 0.28 1.84 0.00 0.00 -1.54 0.00 0.00 55.06 55.64 2kbn s HIS 105 Cb 0.19 0.40 0.00 0.00 0.04 0.00 0.00 32.58 33.22 2kbn s HIS 105 CO -0.14 -0.42 0.00 1.58 -2.34 0.00 0.00 174.74 173.43 2kbn n HIS 106 N 3.54 0.00 -3.31 3.88 -0.00 -1.26 -4.84 115.22 113.24 2kbn n HIS 106 Ca -0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.25 2kbn n HIS 106 Cb 0.57 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.59 2kbn n HIS 106 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kbn n HIS 107 N 0.00 -2.88 -3.19 1.57 -0.00 -1.26 -4.90 115.22 104.57 2kbn n HIS 107 Ca 0.00 1.19 -0.39 0.00 -0.00 0.00 0.00 57.72 58.52 2kbn n HIS 107 Cb 0.00 -2.43 -0.06 0.00 -0.00 0.00 0.00 29.99 27.50 2kbn n HIS 107 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kbn s HIS 108 N -1.78 3.49 -2.00 1.57 5.65 -1.26 -5.19 115.29 115.77 2kbn s HIS 108 Ca 0.34 1.00 0.14 0.00 0.25 0.00 0.00 55.06 56.79 2kbn s HIS 108 Cb -0.05 -2.69 0.85 0.00 -1.18 0.00 0.00 32.58 29.51 2kbn s HIS 108 CO 0.83 0.05 1.27 -2.39 -0.65 0.00 0.00 174.74 173.85