#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbn n GLU 2 N 0.00 -5.03 -2.12 2.12 -0.58 -1.26 -4.94 120.64 108.83 2kbn n GLU 2 Ca 0.00 0.80 -0.38 0.00 -0.42 0.00 0.00 57.16 57.16 2kbn n GLU 2 Cb 0.00 -5.67 0.00 0.00 -0.57 0.00 0.00 31.44 25.21 2kbn n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kbn s PRO 3 N -5.26 3.63 -0.91 3.49 0.04 -1.26 -4.92 135.00 129.82 2kbn s PRO 3 Ca 0.13 1.93 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 2kbn s PRO 3 Cb -0.02 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.12 2kbn s PRO 3 CO 0.75 -0.70 1.58 -0.65 0.04 0.00 0.00 177.00 178.02 2kbn s GLN 4 N -2.69 3.18 0.22 4.56 -1.52 -1.26 -4.96 119.66 117.19 2kbn s GLN 4 Ca 0.65 -0.61 -0.30 0.00 -1.95 0.00 0.00 55.36 53.15 2kbn s GLN 4 Cb -0.33 -5.00 -0.08 0.00 -0.22 0.00 0.00 33.01 27.38 2kbn s GLN 4 CO 0.40 -2.53 1.06 -0.51 -0.25 0.00 0.00 175.29 173.45 2kbn s LEU 5 N 6.72 4.55 -0.05 2.90 1.43 -1.26 -1.44 118.68 131.52 2kbn s LEU 5 Ca 0.52 2.10 0.02 0.00 -1.03 0.00 0.00 54.13 55.75 2kbn s LEU 5 Cb -0.04 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.58 2kbn s LEU 5 CO -0.01 -0.10 -0.11 -0.89 0.23 0.00 0.00 176.35 175.47 2kbn s THR 6 N -0.74 1.00 0.47 5.49 2.01 -0.52 -4.88 115.64 118.46 2kbn s THR 6 Ca 0.46 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 2kbn s THR 6 Cb -0.29 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 2kbn s THR 6 CO 0.36 0.32 0.82 -0.54 -0.69 0.00 0.00 174.62 174.89 2kbn s LYS 7 N 0.52 3.68 0.16 4.92 1.02 -1.26 -4.67 119.74 124.10 2kbn s LYS 7 Ca -0.10 0.43 -0.13 0.00 0.02 0.00 0.00 55.97 56.18 2kbn s LYS 7 Cb -0.13 -2.33 0.06 0.00 -0.52 0.00 0.00 37.83 34.90 2kbn s LYS 7 CO 0.02 -0.18 1.74 0.82 -0.92 0.00 0.00 175.35 176.83 2kbn h ILE 8 N 0.58 1.21 0.00 2.17 2.04 -1.98 -1.80 117.51 119.73 2kbn h ILE 8 Ca -0.47 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 2kbn h ILE 8 Cb 1.19 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2kbn h ILE 8 CO 0.63 0.24 -0.09 1.62 0.00 0.00 0.00 178.15 180.55 2kbn h VAL 9 N 0.74 0.36 0.00 1.67 3.04 -1.94 -1.38 116.25 118.73 2kbn h VAL 9 Ca 0.19 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2kbn h VAL 9 Cb 0.15 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2kbn h VAL 9 CO -0.02 0.09 0.00 -0.67 -1.01 0.00 0.00 177.57 175.96 2kbn n ASP 10 N -3.40 0.00 -4.69 3.17 -0.08 -0.68 -4.73 116.55 106.14 2kbn n ASP 10 Ca -0.01 -0.21 -0.42 0.00 -1.51 0.00 0.00 54.79 52.64 2kbn n ASP 10 Cb 0.26 -0.20 -0.03 0.00 2.34 0.00 0.00 41.12 43.49 2kbn n ASP 10 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2kbn s ILE 11 N -2.40 4.19 0.00 5.18 1.01 -0.52 -4.84 121.20 123.82 2kbn s ILE 11 Ca 0.24 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.42 2kbn s ILE 11 Cb 0.14 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2kbn s ILE 11 CO 0.30 0.02 0.00 1.33 0.00 0.00 0.00 174.94 176.58 2kbn n VAL 12 N 4.52 0.00 -4.15 2.92 0.24 -1.26 -5.08 118.33 115.52 2kbn n VAL 12 Ca 0.11 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.26 2kbn n VAL 12 Cb 0.46 -0.51 -0.13 0.00 -1.47 0.00 0.00 33.84 32.19 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 -1.54 0.55 0.54 7.34 0.41 -1.26 -5.15 118.70 119.59 2kbn s GLU 13 Ca 0.00 -0.52 -0.16 0.00 -0.41 0.00 0.00 54.97 53.88 2kbn s GLU 13 Cb 0.00 -0.44 -0.07 0.00 -1.78 0.00 0.00 34.13 31.84 2kbn s GLU 13 CO 0.00 0.10 1.00 -0.80 -0.49 0.00 0.00 175.26 175.08 2kbn s ASN 14 N -0.92 6.42 0.00 -0.19 0.01 -1.26 -3.82 114.94 115.19 2kbn s ASN 14 Ca -0.03 1.61 0.00 0.00 -0.71 0.00 0.00 52.86 53.73 2kbn s ASN 14 Cb -0.06 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2kbn s ASN 14 CO 0.00 -0.72 0.00 0.61 -1.51 0.00 0.00 177.10 175.48 2kbn n GLY 15 N -1.54 0.73 3.72 0.66 0.00 0.37 -5.00 105.19 104.14 2kbn n GLY 15 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.43 4.57 -0.16 1.61 0.74 -1.25 -4.75 119.66 119.99 2kbn s GLN 16 Ca 0.00 1.60 -0.09 0.00 0.05 0.00 0.00 55.36 56.92 2kbn s GLN 16 Cb 0.00 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.71 2kbn s GLN 16 CO 0.00 0.00 0.15 -1.58 -0.55 0.00 0.00 175.29 173.31 2kbn s TRP 17 N 0.40 3.50 -0.05 1.67 0.52 -1.26 -2.32 118.94 121.40 2kbn s TRP 17 Ca 0.52 0.45 -0.16 0.00 0.02 0.00 0.00 56.10 56.92 2kbn s TRP 17 Cb -0.26 -2.09 0.05 0.00 -1.15 0.00 0.00 33.47 30.02 2kbn s TRP 17 CO 0.31 0.48 0.70 0.00 0.02 0.00 0.00 176.95 178.46 2kbn n ALA 18 N 2.86 -2.03 -2.80 0.98 0.00 -1.06 -4.98 120.51 113.49 2kbn n ALA 18 Ca -0.17 -0.37 -0.28 0.00 0.00 0.00 0.00 53.44 52.62 2kbn n ALA 18 Cb 0.53 -0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.53 5.59 -0.01 0.00 0.02 -0.52 -2.54 114.94 114.96 2kbn s ASN 19 Ca 0.17 -0.07 0.00 0.00 -1.02 0.00 0.00 52.86 51.94 2kbn s ASN 19 Cb -0.00 -1.49 0.01 0.00 0.02 0.00 0.00 41.25 39.78 2kbn s ASN 19 CO -0.01 0.10 0.00 -0.22 0.02 0.00 0.00 177.10 176.99 2kbn s LEU 20 N -2.88 1.81 -0.05 0.60 2.96 -0.86 -1.44 118.68 118.82 2kbn s LEU 20 Ca 0.31 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.25 2kbn s LEU 20 Cb -0.11 -0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.54 2kbn s LEU 20 CO 0.23 -0.02 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.36 2kbn s LYS 21 N 0.22 1.60 0.18 1.98 2.20 -1.26 -0.05 119.74 124.60 2kbn s LYS 21 Ca -0.02 -0.47 -0.23 0.00 -0.36 0.00 0.00 55.97 54.89 2kbn s LYS 21 Cb -0.03 -1.37 0.08 0.00 -1.51 0.00 0.00 37.83 35.00 2kbn s LYS 21 CO -0.01 0.13 1.03 0.00 -0.36 0.00 0.00 175.35 176.15 2kbn s ALA 22 N 0.31 -1.61 0.02 3.13 0.00 -1.08 -5.00 121.76 117.53 2kbn s ALA 22 Ca -0.08 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2kbn s ALA 22 Cb -0.13 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2kbn s ALA 22 CO 0.02 -1.06 0.02 -1.59 0.00 0.00 0.00 175.76 173.15 2kbn s LYS 23 N -2.30 2.80 -0.75 0.00 -2.85 -1.05 -1.74 119.74 113.85 2kbn s LYS 23 Ca 0.21 -0.64 -0.23 0.00 -1.00 0.00 0.00 55.97 54.30 2kbn s LYS 23 Cb -0.02 -2.68 0.06 0.00 -2.06 0.00 0.00 37.83 33.13 2kbn s LYS 23 CO 0.05 0.61 1.12 0.08 0.10 0.00 0.00 175.35 177.31 2kbn s VAL 24 N -1.17 4.15 0.11 1.79 1.01 -1.09 -0.66 120.40 124.53 2kbn s VAL 24 Ca 0.22 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 2kbn s VAL 24 Cb -0.12 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.42 2kbn s VAL 24 CO 0.13 -1.63 1.57 0.40 0.00 0.00 0.00 175.10 175.57 2kbn h ILE 25 N 6.06 1.25 -2.85 2.22 1.08 -1.90 -1.58 117.51 121.78 2kbn h ILE 25 Ca -0.19 -0.90 -0.11 0.00 -0.39 0.00 0.00 64.86 63.27 2kbn h ILE 25 Cb 1.05 1.18 -0.21 0.00 -3.07 0.00 0.00 36.82 35.78 2kbn h ILE 25 CO 1.23 0.30 -0.21 -1.58 -0.69 0.00 0.00 178.15 177.20 2kbn s GLN 26 N -5.09 0.69 0.04 2.37 2.00 -1.25 -4.63 119.66 113.79 2kbn s GLN 26 Ca -0.13 -0.02 0.05 0.00 -2.00 0.00 0.00 55.36 53.27 2kbn s GLN 26 Cb 0.09 0.31 -0.02 0.00 0.80 0.00 0.00 33.01 34.19 2kbn s GLN 26 CO 0.77 -0.18 -0.16 -0.48 -0.50 0.00 0.00 175.29 174.73 2kbn s LEU 27 N -1.07 2.16 -0.30 3.68 2.34 -1.26 -2.69 118.68 121.54 2kbn s LEU 27 Ca -0.11 -0.47 0.01 0.00 0.06 0.00 0.00 54.13 53.62 2kbn s LEU 27 Cb -0.04 -0.71 0.09 0.00 -0.56 0.00 0.00 46.19 44.97 2kbn s LEU 27 CO 0.04 0.08 0.07 0.26 -1.06 0.00 0.00 176.35 175.74 2kbn s TRP 28 N -0.81 2.30 0.60 3.48 0.52 0.14 -4.98 118.94 120.19 2kbn s TRP 28 Ca 0.03 -2.04 -0.18 0.00 0.02 0.00 0.00 56.10 53.93 2kbn s TRP 28 Cb -0.08 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 2kbn s TRP 28 CO 0.01 -0.87 1.19 -1.83 0.02 0.00 0.00 176.95 175.47 2kbn s GLU 29 N 1.41 2.93 -0.09 4.98 1.03 -1.26 -1.93 118.70 125.77 2kbn s GLU 29 Ca 0.08 1.78 -0.04 0.00 0.03 0.00 0.00 54.97 56.81 2kbn s GLU 29 Cb -0.18 -1.93 0.04 0.00 -0.80 0.00 0.00 34.13 31.27 2kbn s GLU 29 CO -0.18 -1.23 0.20 0.54 -1.33 0.00 0.00 175.26 173.26 2kbn s ASN 30 N -1.71 -0.10 -0.95 0.83 4.22 -0.98 -4.86 114.94 111.39 2kbn s ASN 30 Ca 0.76 0.41 -0.15 0.00 -2.14 0.00 0.00 52.86 51.75 2kbn s ASN 30 Cb -0.29 0.31 0.19 0.00 1.28 0.00 0.00 41.25 42.75 2kbn s ASN 30 CO 0.34 -0.17 1.02 -0.89 -2.04 0.00 0.00 177.10 175.36 2kbn s THR 31 N 1.34 5.31 0.15 0.54 2.01 -1.26 -4.39 115.64 119.34 2kbn s THR 31 Ca -0.08 -2.33 0.04 0.00 0.31 0.00 0.00 61.69 59.63 2kbn s THR 31 Cb -0.11 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.71 2kbn s THR 31 CO -0.07 -1.29 -0.09 -1.00 -0.69 0.00 0.00 174.62 171.48 2kbn s HIS 32 N 0.97 1.29 0.26 4.92 3.76 -1.15 -5.05 115.29 120.29 2kbn s HIS 32 Ca 0.28 -0.78 -0.01 0.00 -0.15 0.00 0.00 55.06 54.40 2kbn s HIS 32 Cb -0.07 -0.67 0.33 0.00 1.11 0.00 0.00 32.58 33.27 2kbn s HIS 32 CO -0.08 0.06 1.72 0.93 -0.85 0.00 0.00 174.74 176.52 2kbn h GLU 33 N 2.75 0.69 0.00 1.40 5.08 -2.01 -3.36 114.58 119.12 2kbn h GLU 33 Ca -0.37 -0.23 -0.28 0.00 -1.00 0.00 0.00 59.36 57.48 2kbn h GLU 33 Cb 1.19 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2kbn h GLU 33 CO 0.64 0.80 -1.92 0.45 -1.00 0.00 0.00 179.01 177.97 2kbn n SER 34 N -4.16 1.89 -4.72 1.42 2.88 -1.26 -4.91 113.62 104.76 2kbn n SER 34 Ca 0.01 0.32 -0.42 0.00 -1.33 0.00 0.00 58.87 57.46 2kbn n SER 34 Cb 0.36 -0.76 -0.04 0.00 -0.75 0.00 0.00 64.21 63.03 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 -2.63 4.51 -0.16 2.46 1.01 -1.26 -3.89 121.20 121.24 2kbn s ILE 35 Ca -0.34 1.93 -0.16 0.00 0.00 0.00 0.00 60.65 62.08 2kbn s ILE 35 Cb 0.10 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2kbn s ILE 35 CO 0.45 0.22 -0.30 -0.24 0.00 0.00 0.00 174.94 175.07 2kbn n SER 36 N 3.35 1.75 -3.74 3.58 2.88 -0.92 -2.92 113.62 117.61 2kbn n SER 36 Ca 0.05 0.33 -0.14 0.00 -1.33 0.00 0.00 58.87 57.79 2kbn n SER 36 Cb 0.49 -0.73 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 2kbn n SER 36 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2kbn s GLN 37 N -2.67 0.71 0.10 -1.46 -0.44 -1.24 -2.31 119.66 112.34 2kbn s GLN 37 Ca -0.25 -0.18 0.02 0.00 -2.50 0.00 0.00 55.36 52.45 2kbn s GLN 37 Cb 0.03 0.31 -0.04 0.00 -1.64 0.00 0.00 33.01 31.68 2kbn s GLN 37 CO 0.37 -0.20 -0.07 0.14 0.50 0.00 0.00 175.29 176.04 2kbn s VAL 38 N -1.40 0.72 -0.35 1.34 -7.23 -0.81 -1.76 120.40 110.91 2kbn s VAL 38 Ca -0.13 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2kbn s VAL 38 Cb -0.05 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.19 2kbn s VAL 38 CO 0.04 -0.85 0.00 0.61 -0.31 0.00 0.00 175.10 174.59 2kbn n GLY 39 N -0.06 -1.04 3.11 2.32 0.00 -1.09 0.24 105.19 108.67 2kbn n GLY 39 Ca -0.12 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 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 2.24 -0.14 0.99 2.34 -1.09 -1.48 118.68 121.54 2kbn s LEU 40 Ca 0.00 -0.54 -0.02 0.00 0.06 0.00 0.00 54.13 53.63 2kbn s LEU 40 Cb 0.00 -0.38 -0.02 0.00 -0.56 0.00 0.00 46.19 45.23 2kbn s LEU 40 CO 0.00 -0.10 -0.09 -0.76 -1.06 0.00 0.00 176.35 174.34 2kbn s LEU 41 N -1.50 2.97 0.07 1.48 1.43 -0.34 -3.20 118.68 119.59 2kbn s LEU 41 Ca -0.04 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2kbn s LEU 41 Cb -0.09 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 2kbn s LEU 41 CO 0.01 0.18 0.29 -0.83 0.23 0.00 0.00 176.35 176.23 2kbn s GLY 42 N 0.27 2.22 -0.03 -3.19 0.00 0.16 -2.52 107.32 104.24 2kbn s GLY 42 Ca -0.06 -0.66 -0.31 0.00 0.00 0.00 0.00 44.72 43.69 2kbn s GLY 42 CO 0.04 -0.57 1.18 0.51 0.00 0.00 0.00 173.10 174.26 2kbn s ASP 43 N -2.23 -0.12 0.43 1.64 1.47 -0.67 -2.53 116.67 114.66 2kbn s ASP 43 Ca 0.35 -0.14 0.29 0.00 1.18 0.00 0.00 52.55 54.23 2kbn s ASP 43 Cb -0.13 0.23 1.55 0.00 -0.34 0.00 0.00 42.92 44.23 2kbn s ASP 43 CO 0.23 -0.41 1.90 -0.08 0.68 0.00 0.00 175.17 177.49 2kbn h GLU 44 N 2.00 0.00 -0.01 2.11 4.81 -1.89 0.11 114.58 121.71 2kbn h GLU 44 Ca -0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2kbn h GLU 44 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2kbn h GLU 44 CO 0.27 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 178.80 2kbn n THR 45 N -2.55 0.01 0.00 0.32 -2.24 -1.26 -5.02 114.28 103.54 2kbn n THR 45 Ca -0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2kbn n THR 45 Cb 0.08 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 1.09 0.22 3.01 3.38 0.00 0.39 -4.15 105.19 109.13 2kbn n GLY 46 Ca 0.21 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 2kbn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kbn s ILE 47 N 0.00 0.75 -0.00 -0.61 1.01 -1.26 -1.68 121.20 119.41 2kbn s ILE 47 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.30 2kbn s ILE 47 Cb 0.00 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 2kbn s ILE 47 CO 0.00 0.23 -0.07 -0.51 0.00 0.00 0.00 174.94 174.59 2kbn s ILE 48 N 0.01 0.54 0.46 2.92 2.07 -1.05 -4.96 121.20 121.20 2kbn s ILE 48 Ca -0.00 -0.36 -0.13 0.00 -1.41 0.00 0.00 60.65 58.75 2kbn s ILE 48 Cb -0.06 -0.46 -0.07 0.00 0.13 0.00 0.00 42.46 41.99 2kbn s ILE 48 CO 0.00 0.10 0.87 -0.54 -1.91 0.00 0.00 174.94 173.46 2kbn s LYS 49 N -0.28 3.83 0.02 3.50 1.02 -1.23 -1.20 119.74 125.40 2kbn s LYS 49 Ca 0.02 0.67 -0.03 0.00 0.02 0.00 0.00 55.97 56.65 2kbn s LYS 49 Cb -0.03 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2kbn s LYS 49 CO -0.00 -0.16 0.03 -0.59 -0.92 0.00 0.00 175.35 173.71 2kbn s PHE 50 N -2.52 0.23 -0.05 3.18 -0.71 -0.55 -2.18 117.98 115.38 2kbn s PHE 50 Ca 0.54 -0.49 0.02 0.00 -1.04 0.00 0.00 56.93 55.96 2kbn s PHE 50 Cb -0.10 -0.17 0.02 0.00 -1.21 0.00 0.00 43.02 41.56 2kbn s PHE 50 CO 0.33 -0.26 -0.08 0.99 -1.34 0.00 0.00 175.22 174.85 2kbn s THR 51 N -1.89 0.80 -0.23 -4.49 2.01 -0.99 -2.67 115.64 108.17 2kbn s THR 51 Ca -0.12 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 2kbn s THR 51 Cb -0.06 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 2kbn s THR 51 CO -0.02 0.28 0.12 -0.63 -0.69 0.00 0.00 174.62 173.67 2kbn s ILE 52 N 0.70 4.92 -0.12 1.82 1.01 -0.72 -2.34 121.20 126.47 2kbn s ILE 52 Ca -0.12 0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 2kbn s ILE 52 Cb -0.14 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2kbn s ILE 52 CO 0.02 0.36 0.43 0.26 0.00 0.00 0.00 174.94 176.00 2kbn s TRP 53 N 1.16 3.52 -0.87 3.97 0.52 -1.07 -2.16 118.94 124.00 2kbn s TRP 53 Ca 0.06 0.83 -0.07 0.00 0.02 0.00 0.00 56.10 56.94 2kbn s TRP 53 Cb -0.14 -2.48 -0.11 0.00 -1.15 0.00 0.00 33.47 29.59 2kbn s TRP 53 CO 0.04 0.23 3.11 0.36 0.02 0.00 0.00 176.95 180.71 2kbn n LYS 54 N 3.47 3.06 0.00 4.98 2.85 -1.25 -4.46 118.16 126.81 2kbn n LYS 54 Ca -0.09 -1.95 0.12 0.00 -1.05 0.00 0.00 58.31 55.35 2kbn n LYS 54 Cb 0.52 -2.42 0.68 0.00 -0.65 0.00 0.00 35.03 33.16 2kbn n LYS 54 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kbn n ASN 55 N 2.65 0.00 0.00 -5.58 3.02 -1.26 -4.70 115.26 109.39 2kbn n ASN 55 Ca 0.61 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2kbn n ASN 55 Cb 0.52 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2kbn n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbn n ALA 56 N -1.15 0.39 0.00 5.41 0.00 -1.26 -4.90 120.51 119.00 2kbn n ALA 56 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kbn n ALA 56 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2kbn n ALA 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kbn n GLU 57 N 0.00 0.00 -3.23 0.00 0.28 -1.26 -5.16 120.64 111.27 2kbn n GLU 57 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 2kbn n GLU 57 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 2kbn n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kbn s LEU 58 N 0.00 4.27 0.65 -1.84 1.43 -1.26 -5.06 118.68 116.87 2kbn s LEU 58 Ca 0.00 1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 2kbn s LEU 58 Cb 0.00 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 2kbn s LEU 58 CO 0.00 0.00 1.09 -2.16 0.23 0.00 0.00 176.35 175.51 2kbn s PRO 59 N -2.25 2.94 0.30 1.29 0.04 -1.26 -5.01 135.00 131.05 2kbn s PRO 59 Ca 0.44 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 2kbn s PRO 59 Cb -0.14 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2kbn s PRO 59 CO 0.20 -1.13 1.04 -0.51 0.04 0.00 0.00 177.00 176.63 2kbn s LEU 60 N -4.85 4.48 0.31 -3.56 1.43 -1.26 -5.02 118.68 110.21 2kbn s LEU 60 Ca 0.65 2.11 -0.23 0.00 -1.03 0.00 0.00 54.13 55.63 2kbn s LEU 60 Cb -0.18 -3.77 -0.10 0.00 0.03 0.00 0.00 46.19 42.17 2kbn s LEU 60 CO 0.42 -0.13 0.87 -0.76 0.23 0.00 0.00 176.35 176.98 2kbn s LEU 61 N -1.67 4.27 0.09 1.79 1.02 -1.26 -5.05 118.68 117.87 2kbn s LEU 61 Ca 0.47 1.66 -0.11 0.00 0.02 0.00 0.00 54.13 56.17 2kbn s LEU 61 Cb -0.27 -3.97 -0.06 0.00 0.02 0.00 0.00 46.19 41.90 2kbn s LEU 61 CO 0.35 -0.09 0.44 -1.61 0.02 0.00 0.00 176.35 175.46 2kbn s GLU 62 N -2.24 3.82 0.31 1.70 8.01 -1.26 -5.02 118.70 124.01 2kbn s GLU 62 Ca 0.50 0.26 -0.28 0.00 0.01 0.00 0.00 54.97 55.47 2kbn s GLU 62 Cb -0.16 -2.99 -0.09 0.00 -4.31 0.00 0.00 34.13 26.58 2kbn s GLU 62 CO 0.21 0.54 1.03 -1.14 0.01 0.00 0.00 175.26 175.91 2kbn s GLN 63 N -1.90 4.55 0.00 1.61 0.74 -1.26 -3.56 119.66 119.84 2kbn s GLN 63 Ca 0.34 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.34 2kbn s GLN 63 Cb -0.14 -2.98 0.00 0.00 1.10 0.00 0.00 33.01 30.99 2kbn s GLN 63 CO 0.18 0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.52 2kbn n GLY 64 N 0.93 0.45 3.14 2.59 0.00 -0.60 -5.01 105.19 106.69 2kbn n GLY 64 Ca 0.01 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.05 0.91 0.46 1.61 0.41 -1.23 -4.96 118.70 113.84 2kbn s GLU 65 Ca 0.00 -0.78 -0.19 0.00 -0.41 0.00 0.00 54.97 53.59 2kbn s GLU 65 Cb 0.00 -0.91 -0.10 0.00 -1.78 0.00 0.00 34.13 31.34 2kbn s GLU 65 CO 0.00 0.22 0.95 -1.54 -0.49 0.00 0.00 175.26 174.40 2kbn s SER 66 N -1.21 6.80 -0.03 -0.19 1.04 -1.26 -2.69 113.70 116.17 2kbn s SER 66 Ca 0.01 1.61 -0.07 0.00 0.48 0.00 0.00 55.95 57.99 2kbn s SER 66 Cb -0.08 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.53 2kbn s SER 66 CO 0.01 -0.44 0.15 -0.31 0.98 0.00 0.00 173.24 173.63 2kbn s TYR 67 N -2.35 -0.06 -0.21 5.02 2.02 -0.71 -2.66 117.35 118.41 2kbn s TYR 67 Ca 0.60 0.12 -0.04 0.00 -0.37 0.00 0.00 57.07 57.38 2kbn s TYR 67 Cb -0.09 0.00 -0.02 0.00 -0.40 0.00 0.00 41.96 41.45 2kbn s TYR 67 CO 0.21 -0.20 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.79 2kbn s LEU 68 N -0.75 3.07 -0.16 -1.29 2.96 -0.71 -2.63 118.68 119.17 2kbn s LEU 68 Ca -0.08 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 2kbn s LEU 68 Cb -0.05 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2kbn s LEU 68 CO 0.01 0.02 0.12 -0.76 -1.32 0.00 0.00 176.35 174.42 2kbn s LEU 69 N 1.23 4.21 -0.00 -0.68 1.43 0.92 -2.47 118.68 123.32 2kbn s LEU 69 Ca 0.03 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 2kbn s LEU 69 Cb -0.14 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2kbn s LEU 69 CO -0.00 0.28 -0.18 -0.13 0.23 0.00 0.00 176.35 176.56 2kbn s ARG 70 N -0.26 1.39 -0.72 1.70 0.52 -0.86 -2.02 118.95 118.70 2kbn s ARG 70 Ca 0.11 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 54.61 2kbn s ARG 70 Cb -0.12 -1.36 0.01 0.00 0.52 0.00 0.00 34.95 34.00 2kbn s ARG 70 CO 0.01 0.37 0.66 0.45 0.02 0.00 0.00 175.30 176.81 2kbn n SER 71 N 2.52 -6.89 -4.36 0.23 2.88 -1.25 -2.42 113.62 104.33 2kbn n SER 71 Ca -0.15 -0.26 -0.18 0.00 -1.33 0.00 0.00 58.87 56.95 2kbn n SER 71 Cb 0.54 -4.13 -0.10 0.00 -0.75 0.00 0.00 64.21 59.76 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 -2.88 1.32 -0.05 2.46 -7.23 -1.05 -3.77 120.40 109.20 2kbn s VAL 72 Ca 0.05 -2.08 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2kbn s VAL 72 Cb -0.01 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 2kbn s VAL 72 CO 0.80 -0.39 -0.25 0.54 -0.31 0.00 0.00 175.10 175.50 2kbn s VAL 73 N -3.23 2.01 -0.34 1.32 0.11 -1.25 -2.56 120.40 116.46 2kbn s VAL 73 Ca 0.27 -1.05 -0.24 0.00 -2.93 0.00 0.00 61.98 58.03 2kbn s VAL 73 Cb 0.04 -1.70 0.01 0.00 -1.53 0.00 0.00 36.38 33.20 2kbn s VAL 73 CO 0.09 0.56 0.85 -0.69 -3.33 0.00 0.00 175.10 172.57 2kbn s VAL 74 N -0.20 4.69 0.62 2.04 1.01 -0.98 -2.10 120.40 125.48 2kbn s VAL 74 Ca -0.02 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.12 2kbn s VAL 74 Cb -0.13 -4.24 0.12 0.00 0.00 0.00 0.00 36.38 32.13 2kbn s VAL 74 CO 0.03 -0.40 0.85 0.61 0.00 0.00 0.00 175.10 176.19 2kbn n GLY 75 N 4.32 0.96 3.46 4.51 0.00 0.15 -0.48 105.19 118.11 2kbn n GLY 75 Ca 0.05 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 2kbn n GLY 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kbn s GLU 76 N -4.71 3.22 -0.21 1.61 -1.05 -1.26 -2.59 118.70 113.71 2kbn s GLU 76 Ca 0.58 -0.61 -0.03 0.00 -0.15 0.00 0.00 54.97 54.75 2kbn s GLU 76 Cb -0.04 -2.66 0.07 0.00 -0.44 0.00 0.00 34.13 31.06 2kbn s GLU 76 CO 0.38 0.37 0.07 -0.47 0.95 0.00 0.00 175.26 176.56 2kbn s TYR 77 N -0.03 0.77 0.00 4.83 5.04 -0.92 -4.82 117.35 122.21 2kbn s TYR 77 Ca -0.01 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 53.84 2kbn s TYR 77 Cb -0.14 -0.97 0.00 0.00 0.35 0.00 0.00 41.96 41.20 2kbn s TYR 77 CO 0.03 -0.63 0.00 -1.71 -1.34 0.00 0.00 175.55 171.91 2kbn n ASN 78 N 5.12 0.00 -0.09 4.32 5.15 -1.26 -1.07 115.26 127.42 2kbn n ASN 78 Ca -0.07 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.04 2kbn n ASN 78 Cb 0.47 0.00 0.44 0.00 -0.53 0.00 0.00 39.78 40.15 2kbn n ASN 78 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2kbn n ASP 79 N 1.73 0.55 -4.88 1.20 2.03 -1.26 -4.88 116.55 111.04 2kbn n ASP 79 Ca 0.00 -0.40 -0.23 0.00 0.52 0.00 0.00 54.79 54.68 2kbn n ASP 79 Cb 0.00 0.02 -0.02 0.00 -0.72 0.00 0.00 41.12 40.40 2kbn n ASP 79 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2kbn s ARG 80 N -2.72 2.37 0.18 -0.67 0.52 -0.23 -5.13 118.95 113.25 2kbn s ARG 80 Ca 0.20 -1.78 0.05 0.00 -0.52 0.00 0.00 55.73 53.68 2kbn s ARG 80 Cb 0.19 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 2kbn s ARG 80 CO 0.57 -0.40 0.17 -0.06 0.02 0.00 0.00 175.30 175.60 2kbn s PHE 81 N -2.62 3.20 0.04 -0.53 0.08 -1.26 -2.17 117.98 114.72 2kbn s PHE 81 Ca 0.42 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.47 2kbn s PHE 81 Cb -0.02 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 2kbn s PHE 81 CO 0.25 0.52 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.70 2kbn s GLN 82 N -3.26 0.50 -0.10 0.44 0.74 -1.07 -3.57 119.66 113.33 2kbn s GLN 82 Ca 0.32 -0.86 0.02 0.00 0.05 0.00 0.00 55.36 54.89 2kbn s GLN 82 Cb -0.10 -0.02 -0.01 0.00 1.10 0.00 0.00 33.01 33.98 2kbn s GLN 82 CO 0.24 -0.03 -0.17 0.14 -0.55 0.00 0.00 175.29 174.93 2kbn s VAL 83 N -2.18 2.72 -0.15 1.34 -7.23 -0.92 0.29 120.40 114.26 2kbn s VAL 83 Ca -0.06 -0.79 -0.07 0.00 -1.81 0.00 0.00 61.98 59.24 2kbn s VAL 83 Cb -0.05 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 2kbn s VAL 83 CO -0.03 0.55 0.11 -1.10 -0.31 0.00 0.00 175.10 174.32 2kbn s GLN 84 N 0.14 3.71 -0.16 4.82 -0.21 -0.89 -2.36 119.66 124.71 2kbn s GLN 84 Ca -0.09 -0.22 -0.05 0.00 0.02 0.00 0.00 55.36 55.02 2kbn s GLN 84 Cb -0.15 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 2kbn s GLN 84 CO 0.06 0.54 -0.00 0.08 -2.12 0.00 0.00 175.29 173.85 2kbn s VAL 85 N -0.36 4.23 0.46 1.09 1.01 -0.99 -3.75 120.40 122.10 2kbn s VAL 85 Ca 0.11 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2kbn s VAL 85 Cb -0.12 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2kbn s VAL 85 CO 0.01 0.49 0.07 0.59 0.00 0.00 0.00 175.10 176.26 2kbn n ASN 86 N 3.44 2.41 -0.34 3.32 3.02 -1.26 -2.61 115.26 123.25 2kbn n ASN 86 Ca -0.17 -3.20 -0.01 0.00 -0.03 0.00 0.00 54.58 51.16 2kbn n ASN 86 Cb 0.52 0.67 0.12 0.00 -0.61 0.00 0.00 39.78 40.48 2kbn n ASN 86 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2kbn h LYS 87 N 0.00 1.13 -0.55 3.52 3.64 -1.90 -1.30 116.57 121.11 2kbn h LYS 87 Ca -0.37 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2kbn h LYS 87 Cb 1.25 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 2kbn h LYS 87 CO 0.61 0.75 0.34 -0.97 -2.27 0.00 0.00 179.45 177.91 2kbn h ASN 88 N 1.17 0.65 -4.15 4.20 -0.73 -1.96 -3.42 115.58 111.34 2kbn h ASN 88 Ca 0.36 -0.03 -0.50 0.00 1.87 0.00 0.00 56.30 57.99 2kbn h ASN 88 Cb -0.03 -0.16 0.09 0.00 0.27 0.00 0.00 38.32 38.49 2kbn h ASN 88 CO -0.11 0.50 0.40 -0.55 -0.37 0.00 0.00 177.43 177.30 2kbn s SER 89 N -6.55 5.42 0.07 1.15 0.15 -0.49 -4.88 113.70 108.57 2kbn s SER 89 Ca -0.09 2.07 0.06 0.00 0.70 0.00 0.00 55.95 58.68 2kbn s SER 89 Cb 0.17 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 2kbn s SER 89 CO 0.76 -1.42 -0.16 -0.55 1.20 0.00 0.00 173.24 173.06 2kbn s SER 90 N -2.23 1.95 -0.07 5.45 0.15 -1.02 -4.78 113.70 113.16 2kbn s SER 90 Ca 0.69 -0.60 0.04 0.00 0.70 0.00 0.00 55.95 56.79 2kbn s SER 90 Cb -0.22 -0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2kbn s SER 90 CO 0.35 -0.01 -0.20 -0.63 1.20 0.00 0.00 173.24 173.95 2kbn s ILE 91 N -1.14 1.67 -0.07 6.45 1.01 -1.26 -2.02 121.20 125.84 2kbn s ILE 91 Ca 0.01 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.87 2kbn s ILE 91 Cb -0.10 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.93 2kbn s ILE 91 CO 0.03 0.47 -0.16 -0.70 0.00 0.00 0.00 174.94 174.58 2kbn s GLU 92 N 0.20 2.03 0.03 2.79 2.12 -1.03 -4.96 118.70 119.88 2kbn s GLU 92 Ca -0.10 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 2kbn s GLU 92 Cb -0.15 -1.65 -0.04 0.00 0.26 0.00 0.00 34.13 32.56 2kbn s GLU 92 CO 0.05 0.11 0.98 0.21 -0.54 0.00 0.00 175.26 176.07 2kbn s LYS 93 N 0.45 4.60 -0.14 4.30 2.20 -1.26 -1.74 119.74 128.14 2kbn s LYS 93 Ca -0.13 1.44 -0.07 0.00 -0.36 0.00 0.00 55.97 56.85 2kbn s LYS 93 Cb -0.15 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2kbn s LYS 93 CO 0.05 0.02 0.12 -0.51 -0.36 0.00 0.00 175.35 174.66 2kbn s LEU 94 N 0.71 4.22 0.00 5.43 1.02 -1.09 -4.97 118.68 124.00 2kbn s LEU 94 Ca 0.51 0.36 0.18 0.00 0.02 0.00 0.00 54.13 55.19 2kbn s LEU 94 Cb -0.22 -2.04 0.59 0.00 0.02 0.00 0.00 46.19 44.54 2kbn s LEU 94 CO 0.29 0.34 1.45 -1.20 0.02 0.00 0.00 176.35 177.25 2kbn n SER 95 N 2.41 1.89 -4.03 2.29 7.64 -1.26 -4.36 113.62 118.21 2kbn n SER 95 Ca -0.19 -1.82 -0.33 0.00 1.01 0.00 0.00 58.87 57.54 2kbn n SER 95 Cb 0.54 -0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.46 2kbn n SER 95 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kbn s GLU 96 N -1.67 2.19 0.58 1.43 1.03 -1.26 -5.09 118.70 115.91 2kbn s GLU 96 Ca 0.30 -2.48 -0.19 0.00 0.03 0.00 0.00 54.97 52.64 2kbn s GLU 96 Cb 0.16 -3.50 -0.06 0.00 -0.80 0.00 0.00 34.13 29.93 2kbn s GLU 96 CO 0.23 -1.12 0.90 -2.30 -1.33 0.00 0.00 175.26 171.64 2kbn n PRO 97 N 3.45 0.86 -3.75 -4.83 -0.02 -1.26 -4.86 135.00 124.59 2kbn n PRO 97 Ca 0.06 0.33 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 2kbn n PRO 97 Cb 0.36 -2.08 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.53 5.29 -0.11 4.25 1.01 -1.26 -5.06 121.20 123.79 2kbn s ILE 98 Ca 0.74 0.15 -0.22 0.00 0.00 0.00 0.00 60.65 61.31 2kbn s ILE 98 Cb -0.43 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2kbn s ILE 98 CO 0.49 0.42 0.67 -1.61 0.00 0.00 0.00 174.94 174.91 2kbn s GLU 99 N 0.55 4.36 -0.02 2.79 8.01 -1.26 -4.93 118.70 128.20 2kbn s GLU 99 Ca 0.07 0.78 0.20 0.00 0.01 0.00 0.00 54.97 56.03 2kbn s GLU 99 Cb -0.12 -3.49 -0.27 0.00 -4.31 0.00 0.00 34.13 25.94 2kbn s GLU 99 CO -0.00 -0.04 0.63 0.28 0.01 0.00 0.00 175.26 176.14 2kbn n VAL 100 N 4.08 0.00 1.30 2.63 0.31 -1.26 -4.14 118.33 121.25 2kbn n VAL 100 Ca -0.01 -0.28 0.13 0.00 -0.01 0.00 0.00 64.34 64.17 2kbn n VAL 100 Cb 0.51 0.46 0.38 0.00 -0.91 0.00 0.00 33.84 34.28 2kbn n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kbn n GLY 101 N 1.39 -0.20 0.44 2.92 0.00 -1.26 -4.32 105.19 104.16 2kbn n GLY 101 Ca -0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 2kbn n GLY 101 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kbn h LEU 102 N 2.01 -0.94 -1.16 0.99 5.85 -1.99 -3.44 115.31 116.63 2kbn h LEU 102 Ca 0.00 0.03 -0.37 0.00 0.84 0.00 0.00 57.88 58.39 2kbn h LEU 102 Cb 0.56 0.24 -0.22 0.00 0.37 0.00 0.00 40.66 41.61 2kbn h LEU 102 CO 0.00 -0.64 -0.53 -1.84 -0.34 0.00 0.00 178.44 175.08 2kbn n GLU 103 N -5.15 -0.84 -0.12 1.25 0.28 -1.26 -4.73 120.64 110.07 2kbn n GLU 103 Ca -0.14 0.08 -0.11 0.00 -0.16 0.00 0.00 57.16 56.84 2kbn n GLU 103 Cb 0.44 -2.73 -0.03 0.00 1.43 0.00 0.00 31.44 30.56 2kbn n GLU 103 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2kbn h HIS 104 N -0.51 0.65 -6.29 -1.84 2.76 -1.97 -3.48 115.15 104.47 2kbn h HIS 104 Ca -0.35 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2kbn h HIS 104 Cb 0.81 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.60 2kbn h HIS 104 CO 0.41 0.71 -0.95 0.72 -1.30 0.00 0.00 177.93 177.52 2kbn n HIS 105 N -4.52 -0.23 -3.19 5.26 8.25 -1.26 -4.98 115.22 114.55 2kbn n HIS 105 Ca -0.02 0.10 -0.09 0.00 -0.26 0.00 0.00 57.72 57.45 2kbn n HIS 105 Cb 0.27 -1.17 -0.04 0.00 1.12 0.00 0.00 29.99 30.17 2kbn n HIS 105 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kbn s HIS 106 N -0.98 -0.93 0.15 4.41 2.46 -1.26 -5.13 115.29 114.01 2kbn s HIS 106 Ca -0.00 -0.56 -0.16 0.00 0.47 0.00 0.00 55.06 54.81 2kbn s HIS 106 Cb 0.00 -0.06 0.03 0.00 -0.13 0.00 0.00 32.58 32.43 2kbn s HIS 106 CO 0.04 -1.09 0.44 -3.38 -2.47 0.00 0.00 174.74 168.28 2kbn s HIS 107 N 1.31 -0.16 -0.11 3.88 -3.43 -1.26 -4.87 115.29 110.66 2kbn s HIS 107 Ca 0.21 -0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.30 2kbn s HIS 107 Cb -0.06 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 2kbn s HIS 107 CO -0.06 -0.78 0.00 1.58 -2.00 0.00 0.00 174.74 173.48 2kbn n HIS 108 N -0.27 -0.05 0.00 0.38 -0.00 -1.26 -5.33 115.22 108.69 2kbn n HIS 108 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 2kbn n HIS 108 Cb 0.63 -1.36 0.00 0.00 -0.00 0.00 0.00 29.99 29.27 2kbn n HIS 108 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92