#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 -1.99 -2.17 3.17 -0.58 -1.26 -4.92 120.64 112.90 2kbn n GLU 2 Ca 0.00 0.51 -0.35 0.00 -0.42 0.00 0.00 57.16 56.90 2kbn n GLU 2 Cb 0.00 -4.47 0.01 0.00 -0.57 0.00 0.00 31.44 26.42 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 -5.88 3.22 -0.97 3.49 0.04 -1.26 -4.91 135.00 128.73 2kbn s PRO 3 Ca 0.37 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 2kbn s PRO 3 Cb -0.12 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2kbn s PRO 3 CO 0.85 -0.97 1.63 -0.65 0.04 0.00 0.00 177.00 177.90 2kbn s GLN 4 N -3.32 3.21 0.38 4.56 1.11 -1.26 -4.96 119.66 119.37 2kbn s GLN 4 Ca 0.74 -0.81 -0.24 0.00 0.01 0.00 0.00 55.36 55.06 2kbn s GLN 4 Cb -0.26 -5.24 -0.09 0.00 -1.01 0.00 0.00 33.01 26.41 2kbn s GLN 4 CO 0.29 -2.63 1.02 -0.51 0.01 0.00 0.00 175.29 173.47 2kbn s LEU 5 N 6.85 4.18 -0.06 2.90 1.43 -1.26 -2.32 118.68 130.40 2kbn s LEU 5 Ca 0.55 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.66 2kbn s LEU 5 Cb -0.03 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 42.04 2kbn s LEU 5 CO -0.06 -0.38 -0.17 -0.89 0.23 0.00 0.00 176.35 175.08 2kbn s THR 6 N -1.67 1.50 0.46 5.49 2.01 -0.60 -4.91 115.64 117.93 2kbn s THR 6 Ca 0.56 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 2kbn s THR 6 Cb -0.21 -1.32 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 2kbn s THR 6 CO 0.26 0.43 1.02 -0.54 -0.69 0.00 0.00 174.62 175.11 2kbn s LYS 7 N 0.31 3.93 0.16 4.92 1.02 -1.26 -4.80 119.74 124.03 2kbn s LYS 7 Ca -0.11 1.34 -0.13 0.00 0.02 0.00 0.00 55.97 57.09 2kbn s LYS 7 Cb -0.15 -2.18 0.05 0.00 -0.52 0.00 0.00 37.83 35.04 2kbn s LYS 7 CO 0.04 -0.32 1.72 0.82 -0.92 0.00 0.00 175.35 176.69 2kbn h ILE 8 N 1.71 1.22 0.00 2.17 2.04 -1.97 -2.03 117.51 120.65 2kbn h ILE 8 Ca -0.49 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 2kbn h ILE 8 Cb 1.21 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2kbn h ILE 8 CO 0.60 0.26 -0.11 1.62 0.00 0.00 0.00 178.15 180.52 2kbn h VAL 9 N 0.74 0.51 0.00 1.67 3.04 -1.92 -1.23 116.25 119.05 2kbn h VAL 9 Ca 0.18 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2kbn h VAL 9 Cb 0.20 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2kbn h VAL 9 CO -0.01 0.11 0.00 -0.67 -1.01 0.00 0.00 177.57 175.98 2kbn n ASP 10 N -3.58 0.00 -4.60 3.17 2.03 -0.77 -4.70 116.55 108.10 2kbn n ASP 10 Ca -0.02 -0.30 -0.42 0.00 0.52 0.00 0.00 54.79 54.57 2kbn n ASP 10 Cb 0.24 -0.23 -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 -2.46 4.65 0.00 5.18 1.01 -0.47 -4.75 121.20 124.37 2kbn s ILE 11 Ca 0.31 1.05 0.00 0.00 0.00 0.00 0.00 60.65 62.01 2kbn s ILE 11 Cb 0.20 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2kbn s ILE 11 CO 0.43 -0.49 0.51 1.33 0.00 0.00 0.00 174.94 176.71 2kbn n VAL 12 N 5.89 0.00 -4.68 2.92 0.24 -1.26 -5.00 118.33 116.44 2kbn n VAL 12 Ca 0.05 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.11 2kbn n VAL 12 Cb 0.48 0.38 -0.16 0.00 -1.47 0.00 0.00 33.84 33.07 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 1.64 0.31 7.34 0.41 -1.26 -5.12 118.70 122.02 2kbn s GLU 13 Ca 0.00 -0.50 -0.28 0.00 -0.41 0.00 0.00 54.97 53.78 2kbn s GLU 13 Cb 0.00 -1.40 -0.09 0.00 -1.78 0.00 0.00 34.13 30.85 2kbn s GLU 13 CO 0.00 0.15 1.10 -0.80 -0.49 0.00 0.00 175.26 175.22 2kbn s ASN 14 N 0.28 7.10 0.04 -0.19 0.02 -1.26 -4.60 114.94 116.32 2kbn s ASN 14 Ca -0.08 2.24 0.00 0.00 -1.02 0.00 0.00 52.86 54.00 2kbn s ASN 14 Cb -0.13 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.53 2kbn s ASN 14 CO 0.03 -0.26 0.00 0.61 0.02 0.00 0.00 177.10 177.49 2kbn n GLY 15 N 0.97 -5.29 3.64 0.66 0.00 -0.54 -5.03 105.19 99.60 2kbn n GLY 15 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.54 0.45 0.03 1.61 0.74 -1.26 -4.87 119.66 115.83 2kbn s GLN 16 Ca 0.00 0.68 -0.20 0.00 0.05 0.00 0.00 55.36 55.89 2kbn s GLN 16 Cb 0.00 0.14 -0.06 0.00 1.10 0.00 0.00 33.01 34.20 2kbn s GLN 16 CO 0.00 -0.08 0.60 -1.58 -0.55 0.00 0.00 175.29 173.68 2kbn s TRP 17 N 0.95 3.74 -0.06 1.67 0.52 -1.26 -2.11 118.94 122.37 2kbn s TRP 17 Ca -0.05 1.25 -0.31 0.00 0.02 0.00 0.00 56.10 57.02 2kbn s TRP 17 Cb -0.04 -2.59 0.12 0.00 -1.15 0.00 0.00 33.47 29.81 2kbn s TRP 17 CO -0.12 0.43 1.37 0.00 0.02 0.00 0.00 176.95 178.65 2kbn s ALA 18 N -0.53 -2.50 0.00 0.98 0.00 -1.03 -4.99 121.76 113.69 2kbn s ALA 18 Ca 0.31 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.86 2kbn s ALA 18 Cb -0.19 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2kbn s ALA 18 CO 0.18 -1.10 0.01 -0.80 0.00 0.00 0.00 175.76 174.05 2kbn s ASN 19 N -3.33 5.16 -0.02 0.00 0.01 -0.98 -2.63 114.94 113.15 2kbn s ASN 19 Ca 0.21 -0.00 0.02 0.00 -0.71 0.00 0.00 52.86 52.38 2kbn s ASN 19 Cb 0.04 -1.36 0.01 0.00 0.41 0.00 0.00 41.25 40.35 2kbn s ASN 19 CO -0.04 0.27 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.53 2kbn s LEU 20 N -1.60 1.73 -0.10 0.60 2.96 -0.46 -1.56 118.68 120.24 2kbn s LEU 20 Ca 0.20 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 2kbn s LEU 20 Cb -0.12 -0.45 -0.00 0.00 0.50 0.00 0.00 46.19 46.12 2kbn s LEU 20 CO 0.11 0.04 -0.23 -0.75 -1.32 0.00 0.00 176.35 174.20 2kbn s LYS 21 N 0.29 3.06 0.05 1.98 2.20 -1.26 -1.28 119.74 124.78 2kbn s LYS 21 Ca -0.04 -0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 54.65 2kbn s LYS 21 Cb -0.08 -2.33 0.02 0.00 -1.51 0.00 0.00 37.83 33.92 2kbn s LYS 21 CO 0.00 0.20 0.31 0.00 -0.36 0.00 0.00 175.35 175.50 2kbn n ALA 22 N 3.48 -0.80 -2.47 3.13 0.00 -1.10 -4.96 120.51 117.80 2kbn n ALA 22 Ca -0.19 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 52.73 2kbn n ALA 22 Cb 0.53 0.17 -0.11 0.00 0.00 0.00 0.00 19.45 20.03 2kbn n ALA 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kbn s LYS 23 N -2.01 1.26 -0.09 0.00 -2.85 -1.07 -1.24 119.74 113.74 2kbn s LYS 23 Ca 0.07 -1.37 -0.22 0.00 -1.00 0.00 0.00 55.97 53.44 2kbn s LYS 23 Cb -0.01 -1.36 -0.04 0.00 -2.06 0.00 0.00 37.83 34.36 2kbn s LYS 23 CO 0.02 0.28 0.65 0.08 0.10 0.00 0.00 175.35 176.48 2kbn s VAL 24 N -1.89 5.07 -0.21 1.79 1.01 -1.10 -0.56 120.40 124.52 2kbn s VAL 24 Ca 0.14 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.30 2kbn s VAL 24 Cb -0.06 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 2kbn s VAL 24 CO 0.06 0.26 -0.34 -0.38 0.00 0.00 0.00 175.10 174.70 2kbn n ILE 25 N 3.81 1.47 -3.82 2.22 5.41 -1.12 -2.16 119.36 125.18 2kbn n ILE 25 Ca -0.02 -0.07 -0.13 0.00 1.00 0.00 0.00 62.75 63.53 2kbn n ILE 25 Cb 0.51 -2.12 -0.13 0.00 -0.71 0.00 0.00 39.64 37.19 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 -2.71 0.12 -0.04 0.38 -1.52 -1.26 -4.69 119.66 109.94 2kbn s GLN 26 Ca -0.32 0.17 -0.04 0.00 -1.95 0.00 0.00 55.36 53.23 2kbn s GLN 26 Cb 0.08 0.02 0.01 0.00 -0.22 0.00 0.00 33.01 32.91 2kbn s GLN 26 CO 0.43 -0.04 0.12 -0.48 -0.25 0.00 0.00 175.29 175.07 2kbn s LEU 27 N 0.21 1.51 -0.06 2.90 2.34 -1.26 -2.43 118.68 121.89 2kbn s LEU 27 Ca -0.01 0.24 0.02 0.00 0.06 0.00 0.00 54.13 54.43 2kbn s LEU 27 Cb -0.02 0.39 -0.03 0.00 -0.56 0.00 0.00 46.19 45.97 2kbn s LEU 27 CO -0.01 -0.05 -0.10 0.26 -1.06 0.00 0.00 176.35 175.40 2kbn s TRP 28 N 0.13 2.85 -0.22 3.48 0.51 -0.21 -4.96 118.94 120.52 2kbn s TRP 28 Ca -0.01 -0.05 -0.29 0.00 -2.12 0.00 0.00 56.10 53.64 2kbn s TRP 28 Cb -0.01 -1.67 0.00 0.00 -0.81 0.00 0.00 33.47 30.98 2kbn s TRP 28 CO -0.00 0.28 1.11 -1.21 -0.51 0.00 0.00 176.95 176.62 2kbn s GLU 29 N -0.83 4.24 -0.17 4.98 2.02 -1.26 -2.65 118.70 125.02 2kbn s GLU 29 Ca 0.12 1.43 -0.03 0.00 0.02 0.00 0.00 54.97 56.52 2kbn s GLU 29 Cb -0.11 -3.68 -0.10 0.00 0.10 0.00 0.00 34.13 30.34 2kbn s GLU 29 CO 0.01 -0.67 -0.18 -1.71 0.02 0.00 0.00 175.26 172.73 2kbn n ASN 30 N 6.45 2.14 -4.12 -0.19 2.85 -0.95 -5.01 115.26 116.42 2kbn n ASN 30 Ca 0.13 0.03 -0.34 0.00 -0.11 0.00 0.00 54.58 54.29 2kbn n ASN 30 Cb 0.46 -0.37 -0.05 0.00 1.24 0.00 0.00 39.78 41.06 2kbn n ASN 30 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2kbn n THR 31 N -3.31 -1.46 -0.22 -0.44 -2.24 0.63 -4.92 114.28 102.33 2kbn n THR 31 Ca -0.32 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2kbn n THR 31 Cb 0.79 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 2kbn n THR 31 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2kbn n HIS 32 N -4.45 0.00 -0.08 4.78 -0.00 0.38 -4.92 115.22 110.93 2kbn n HIS 32 Ca -0.23 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.84 2kbn n HIS 32 Cb 0.59 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.47 2kbn n HIS 32 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2kbn h GLU 33 N 0.00 0.83 0.00 1.57 5.08 -2.02 -3.37 114.58 116.67 2kbn h GLU 33 Ca 0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2kbn h GLU 33 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2kbn h GLU 33 CO 0.00 1.09 0.00 0.43 -1.00 0.00 0.00 179.01 179.53 2kbn n SER 34 N -4.03 0.14 -4.50 1.42 7.64 -1.26 -5.05 113.62 107.98 2kbn n SER 34 Ca -0.02 -1.03 -0.35 0.00 1.01 0.00 0.00 58.87 58.48 2kbn n SER 34 Cb 0.56 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.64 2kbn n SER 34 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kbn s ILE 35 N -0.03 4.16 -0.01 0.44 1.01 -1.26 -4.24 121.20 121.27 2kbn s ILE 35 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 2kbn s ILE 35 Cb 0.00 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 2kbn s ILE 35 CO 0.00 0.44 -0.01 -1.20 0.00 0.00 0.00 174.94 174.17 2kbn n SER 36 N 4.02 0.10 -4.05 3.58 7.64 -0.68 0.14 113.62 124.37 2kbn n SER 36 Ca -0.17 0.22 -0.09 0.00 1.01 0.00 0.00 58.87 59.84 2kbn n SER 36 Cb 0.52 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2kbn n SER 36 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2kbn s GLN 37 N -1.07 0.50 -0.00 1.43 -0.21 -1.23 -0.26 119.66 118.81 2kbn s GLN 37 Ca -0.01 -0.90 -0.01 0.00 0.02 0.00 0.00 55.36 54.47 2kbn s GLN 37 Cb 0.00 0.02 0.00 0.00 1.00 0.00 0.00 33.01 34.03 2kbn s GLN 37 CO 0.01 -0.04 0.01 0.54 -2.12 0.00 0.00 175.29 173.69 2kbn s VAL 38 N -2.39 0.01 0.00 1.09 0.11 -1.09 -1.91 120.40 116.22 2kbn s VAL 38 Ca -0.05 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2kbn s VAL 38 Cb -0.03 -0.04 0.00 0.00 -1.53 0.00 0.00 36.38 34.78 2kbn s VAL 38 CO -0.04 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 2kbn n GLY 39 N 3.00 1.89 3.15 6.54 0.00 -1.10 -1.04 105.19 117.62 2kbn n GLY 39 Ca -0.13 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.12 0.99 2.34 -1.02 -1.80 118.68 121.36 2kbn s LEU 40 Ca 0.00 -0.62 -0.02 0.00 0.06 0.00 0.00 54.13 53.55 2kbn s LEU 40 Cb 0.00 -0.41 -0.03 0.00 -0.56 0.00 0.00 46.19 45.19 2kbn s LEU 40 CO 0.00 -0.13 -0.05 -0.76 -1.06 0.00 0.00 176.35 174.35 2kbn s LEU 41 N -1.78 3.21 0.19 1.48 1.43 0.48 -2.79 118.68 120.90 2kbn s LEU 41 Ca -0.03 -0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 2kbn s LEU 41 Cb -0.09 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 2kbn s LEU 41 CO 0.02 0.26 0.68 -0.83 0.23 0.00 0.00 176.35 176.70 2kbn s GLY 42 N -0.16 2.60 0.19 -3.19 0.00 0.28 -2.25 107.32 104.79 2kbn s GLY 42 Ca 0.03 0.10 -0.14 0.00 0.00 0.00 0.00 44.72 44.70 2kbn s GLY 42 CO 0.03 0.45 0.44 -0.35 0.00 0.00 0.00 173.10 173.67 2kbn s ASP 43 N -1.60 -0.14 0.49 1.64 2.15 0.16 -2.61 116.67 116.77 2kbn s ASP 43 Ca 0.40 -0.66 0.33 0.00 0.43 0.00 0.00 52.55 53.06 2kbn s ASP 43 Cb -0.17 0.54 1.65 0.00 -0.30 0.00 0.00 42.92 44.64 2kbn s ASP 43 CO 0.21 -1.02 2.01 -0.33 -0.17 0.00 0.00 175.17 175.87 2kbn h GLU 44 N 2.31 0.00 -0.01 4.34 4.39 -1.94 -1.64 114.58 122.03 2kbn h GLU 44 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2kbn h GLU 44 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2kbn h GLU 44 CO 0.40 0.00 -0.55 0.25 -1.16 0.00 0.00 179.01 177.95 2kbn n THR 45 N -2.75 0.00 0.00 1.13 -2.24 -1.26 -5.06 114.28 104.10 2kbn n THR 45 Ca -0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2kbn n THR 45 Cb 0.14 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.43 0.58 3.17 3.38 0.00 -0.62 -4.80 105.19 108.33 2kbn n GLY 46 Ca 0.08 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 0.15 -0.04 -0.61 -0.00 -1.26 -0.66 121.20 118.79 2kbn s ILE 47 Ca 0.00 -1.27 -0.13 0.00 -0.00 0.00 0.00 60.65 59.25 2kbn s ILE 47 Cb 0.00 -1.28 0.02 0.00 -0.00 0.00 0.00 42.46 41.20 2kbn s ILE 47 CO 0.00 -0.70 0.29 -0.51 -0.00 0.00 0.00 174.94 174.01 2kbn s ILE 48 N -3.60 0.05 0.40 8.37 1.10 -0.95 -4.96 121.20 121.61 2kbn s ILE 48 Ca 0.03 -0.40 -0.13 0.00 -0.51 0.00 0.00 60.65 59.65 2kbn s ILE 48 Cb 0.04 -0.55 -0.07 0.00 0.15 0.00 0.00 42.46 42.03 2kbn s ILE 48 CO -0.09 -0.22 0.80 -0.54 -2.11 0.00 0.00 174.94 172.78 2kbn s LYS 49 N -1.00 3.86 0.02 3.50 1.02 -1.26 -0.38 119.74 125.50 2kbn s LYS 49 Ca -0.11 0.60 -0.13 0.00 0.02 0.00 0.00 55.97 56.35 2kbn s LYS 49 Cb -0.05 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2kbn s LYS 49 CO 0.03 -0.03 0.27 -0.59 -0.92 0.00 0.00 175.35 174.12 2kbn s PHE 50 N -2.31 -0.09 -0.04 3.18 -0.71 -0.75 -2.51 117.98 114.75 2kbn s PHE 50 Ca 0.53 0.02 0.02 0.00 -1.04 0.00 0.00 56.93 56.46 2kbn s PHE 50 Cb -0.10 0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.79 2kbn s PHE 50 CO 0.28 -0.44 -0.07 0.99 -1.34 0.00 0.00 175.22 174.64 2kbn s THR 51 N -2.06 0.68 -0.23 -4.49 2.01 -1.04 -2.72 115.64 107.79 2kbn s THR 51 Ca -0.09 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.58 2kbn s THR 51 Cb -0.03 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 2kbn s THR 51 CO -0.00 0.25 0.15 -0.63 -0.69 0.00 0.00 174.62 173.69 2kbn s ILE 52 N 0.69 5.27 -0.26 1.82 1.01 -0.80 -2.27 121.20 126.66 2kbn s ILE 52 Ca -0.10 0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.53 2kbn s ILE 52 Cb -0.13 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 2kbn s ILE 52 CO 0.01 0.36 0.45 0.26 0.00 0.00 0.00 174.94 176.01 2kbn s TRP 53 N 0.99 3.26 -1.49 3.97 0.52 -1.11 -1.68 118.94 123.40 2kbn s TRP 53 Ca 0.07 0.53 0.15 0.00 0.02 0.00 0.00 56.10 56.87 2kbn s TRP 53 Cb -0.13 -2.64 0.77 0.00 -1.15 0.00 0.00 33.47 30.31 2kbn s TRP 53 CO 0.04 -0.24 1.40 0.36 0.02 0.00 0.00 176.95 178.52 2kbn n LYS 54 N 5.39 0.24 -0.30 4.98 2.85 -1.26 -2.79 118.16 127.27 2kbn n LYS 54 Ca -0.06 0.13 -0.05 0.00 -1.05 0.00 0.00 58.31 57.28 2kbn n LYS 54 Cb 0.50 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.45 2kbn n LYS 54 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2kbn h ASN 55 N 0.00 1.04 1.22 -5.58 -0.26 -1.91 -0.89 115.58 109.20 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 0.12 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 2kbn h ASN 55 CO 0.00 0.86 0.00 0.00 -1.06 0.00 0.00 177.43 177.23 2kbn n ALA 56 N -2.39 2.23 -3.40 -0.83 0.00 -1.12 -4.94 120.51 110.06 2kbn n ALA 56 Ca 0.08 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 2kbn n ALA 56 Cb 0.11 -1.45 0.05 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 -1.97 -1.69 -3.98 0.00 1.02 -0.34 -4.93 120.64 108.76 2kbn n GLU 57 Ca 0.06 0.83 -0.27 0.00 -0.02 0.00 0.00 57.16 57.75 2kbn n GLU 57 Cb 0.37 -5.04 -0.04 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 -5.51 4.20 0.42 -4.62 1.43 -1.26 -5.06 118.68 108.27 2kbn s LEU 58 Ca 0.37 0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.33 2kbn s LEU 58 Cb -0.09 -2.78 -0.11 0.00 0.03 0.00 0.00 46.19 43.25 2kbn s LEU 58 CO 0.79 0.07 0.99 -2.65 0.23 0.00 0.00 176.35 175.78 2kbn n PRO 59 N -0.37 1.31 -2.47 1.29 -0.02 -1.26 -4.93 135.00 128.54 2kbn n PRO 59 Ca -0.07 0.47 -0.39 0.00 -2.02 0.00 0.00 63.50 61.48 2kbn n PRO 59 Cb 0.54 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 2kbn n PRO 59 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kbn s LEU 60 N -0.43 4.44 0.30 2.45 1.43 -1.26 -5.02 118.68 120.58 2kbn s LEU 60 Ca 0.63 2.23 -0.15 0.00 -1.03 0.00 0.00 54.13 55.81 2kbn s LEU 60 Cb -0.56 -3.77 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 2kbn s LEU 60 CO 0.57 -0.26 0.72 -0.76 0.23 0.00 0.00 176.35 176.85 2kbn s LEU 61 N -1.78 4.12 -0.00 1.79 1.02 -1.26 -5.07 118.68 117.50 2kbn s LEU 61 Ca 0.48 1.27 -0.03 0.00 0.02 0.00 0.00 54.13 55.87 2kbn s LEU 61 Cb -0.30 -3.96 -0.04 0.00 0.02 0.00 0.00 46.19 41.91 2kbn s LEU 61 CO 0.38 -0.15 0.19 -1.61 0.02 0.00 0.00 176.35 175.18 2kbn s GLU 62 N -2.80 3.46 0.17 1.70 2.02 -1.26 -5.07 118.70 116.92 2kbn s GLU 62 Ca 0.52 -0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.91 2kbn s GLU 62 Cb -0.11 -3.09 -0.08 0.00 0.10 0.00 0.00 34.13 30.95 2kbn s GLU 62 CO 0.18 0.67 1.11 -1.14 0.02 0.00 0.00 175.26 176.10 2kbn s GLN 63 N -1.94 4.58 0.00 1.61 0.74 -1.26 -3.07 119.66 120.31 2kbn s GLN 63 Ca 0.28 1.74 0.00 0.00 0.05 0.00 0.00 55.36 57.42 2kbn s GLN 63 Cb -0.13 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.71 2kbn s GLN 63 CO 0.19 0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.38 2kbn n GLY 64 N 2.09 0.44 3.26 2.59 0.00 -0.92 -5.03 105.19 107.62 2kbn n GLY 64 Ca 0.03 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.52 1.24 0.44 1.61 0.41 -1.18 -4.96 118.70 114.74 2kbn s GLU 65 Ca 0.00 -1.02 -0.20 0.00 -0.41 0.00 0.00 54.97 53.34 2kbn s GLU 65 Cb 0.00 -1.41 -0.10 0.00 -1.78 0.00 0.00 34.13 30.84 2kbn s GLU 65 CO 0.00 0.34 0.95 -1.54 -0.49 0.00 0.00 175.26 174.52 2kbn s SER 66 N -1.50 6.87 -0.04 -0.19 1.04 -1.26 -2.72 113.70 115.91 2kbn s SER 66 Ca 0.06 1.65 -0.07 0.00 0.48 0.00 0.00 55.95 58.07 2kbn s SER 66 Cb -0.09 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.51 2kbn s SER 66 CO 0.03 -0.40 0.18 -0.31 0.98 0.00 0.00 173.24 173.72 2kbn s TYR 67 N -2.26 -0.12 -0.23 5.02 2.02 -0.38 -2.63 117.35 118.78 2kbn s TYR 67 Ca 0.61 0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 57.53 2kbn s TYR 67 Cb -0.09 0.03 -0.01 0.00 -0.40 0.00 0.00 41.96 41.49 2kbn s TYR 67 CO 0.17 -0.19 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.76 2kbn s LEU 68 N -0.55 2.99 -0.19 -1.29 2.96 -0.75 -2.70 118.68 119.16 2kbn s LEU 68 Ca -0.06 -0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 2kbn s LEU 68 Cb -0.04 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2kbn s LEU 68 CO 0.01 -0.03 0.04 -0.76 -1.32 0.00 0.00 176.35 174.30 2kbn s LEU 69 N 1.50 3.64 -0.02 -0.68 1.43 -0.40 -2.60 118.68 121.54 2kbn s LEU 69 Ca 0.06 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2kbn s LEU 69 Cb -0.14 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 2kbn s LEU 69 CO -0.02 0.14 -0.12 -0.13 0.23 0.00 0.00 176.35 176.44 2kbn s ARG 70 N 0.56 1.14 -0.42 1.70 0.52 -1.02 -1.36 118.95 120.08 2kbn s ARG 70 Ca 0.02 -0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 54.79 2kbn s ARG 70 Cb -0.13 -1.06 -0.01 0.00 0.52 0.00 0.00 34.95 34.27 2kbn s ARG 70 CO 0.01 0.21 0.36 0.43 0.02 0.00 0.00 175.30 176.34 2kbn n SER 71 N 3.01 -2.44 -4.64 0.23 7.64 -1.25 -2.17 113.62 114.01 2kbn n SER 71 Ca -0.16 -0.23 -0.23 0.00 1.01 0.00 0.00 58.87 59.25 2kbn n SER 71 Cb 0.55 -2.19 -0.07 0.00 -1.01 0.00 0.00 64.21 61.48 2kbn n SER 71 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2kbn s VAL 72 N -3.13 3.29 -0.04 0.44 -7.23 -1.08 -4.34 120.40 108.30 2kbn s VAL 72 Ca 0.04 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.31 2kbn s VAL 72 Cb -0.01 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2kbn s VAL 72 CO 0.27 -0.35 -0.15 0.54 -0.31 0.00 0.00 175.10 175.10 2kbn s VAL 73 N -2.36 3.03 -0.39 1.32 0.11 -1.24 -2.46 120.40 118.42 2kbn s VAL 73 Ca 0.32 -0.77 -0.24 0.00 -2.93 0.00 0.00 61.98 58.36 2kbn s VAL 73 Cb -0.06 -2.19 0.01 0.00 -1.53 0.00 0.00 36.38 32.62 2kbn s VAL 73 CO 0.20 0.57 0.84 -0.69 -3.33 0.00 0.00 175.10 172.69 2kbn s VAL 74 N -0.75 4.65 0.80 2.04 1.01 -0.90 -1.81 120.40 125.45 2kbn s VAL 74 Ca 0.12 0.92 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 2kbn s VAL 74 Cb -0.11 -4.29 0.15 0.00 0.00 0.00 0.00 36.38 32.13 2kbn s VAL 74 CO 0.01 -0.54 1.11 -0.83 0.00 0.00 0.00 175.10 174.84 2kbn s GLY 75 N 1.93 1.76 -0.15 4.51 0.00 0.17 -1.47 107.32 114.07 2kbn s GLY 75 Ca 0.34 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 2kbn s GLY 75 CO 0.19 -0.86 -0.09 -0.54 0.00 0.00 0.00 173.10 171.80 2kbn s GLU 76 N -5.40 3.45 -0.48 2.90 8.01 -1.26 -2.63 118.70 123.28 2kbn s GLU 76 Ca 0.68 -0.64 0.03 0.00 0.01 0.00 0.00 54.97 55.05 2kbn s GLU 76 Cb -0.05 -2.76 0.15 0.00 -4.31 0.00 0.00 34.13 27.15 2kbn s GLU 76 CO 0.47 0.14 0.30 -0.47 0.01 0.00 0.00 175.26 175.72 2kbn s TYR 77 N 0.57 2.01 0.00 1.61 5.04 -0.82 -4.88 117.35 120.88 2kbn s TYR 77 Ca -0.06 -2.52 0.00 0.00 -2.44 0.00 0.00 57.07 52.05 2kbn s TYR 77 Cb -0.15 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.38 2kbn s TYR 77 CO 0.03 -0.75 0.00 -1.71 -1.34 0.00 0.00 175.55 171.78 2kbn n ASN 78 N 3.15 0.00 0.00 4.32 5.15 -1.26 -1.26 115.26 125.36 2kbn n ASN 78 Ca 0.15 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.27 2kbn n ASN 78 Cb 0.38 0.00 0.69 0.00 -0.53 0.00 0.00 39.78 40.31 2kbn n ASN 78 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kbn n ASP 79 N 0.94 0.00 -4.69 1.20 8.00 -1.26 -4.76 116.55 115.98 2kbn n ASP 79 Ca 0.00 -0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.11 2kbn n ASP 79 Cb 0.00 -0.30 -0.08 0.00 -0.02 0.00 0.00 41.12 40.72 2kbn n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kbn s ARG 80 N -2.59 2.76 0.39 -1.24 6.06 -0.39 -5.11 118.95 118.83 2kbn s ARG 80 Ca 0.25 -0.65 -0.12 0.00 -2.50 0.00 0.00 55.73 52.71 2kbn s ARG 80 Cb 0.18 -2.66 -0.07 0.00 0.06 0.00 0.00 34.95 32.47 2kbn s ARG 80 CO 0.42 0.61 0.77 -0.06 -2.50 0.00 0.00 175.30 174.54 2kbn s PHE 81 N -1.15 3.44 0.03 5.12 0.08 -1.26 -1.95 117.98 122.30 2kbn s PHE 81 Ca 0.21 1.11 -0.01 0.00 0.12 0.00 0.00 56.93 58.35 2kbn s PHE 81 Cb -0.12 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 39.83 2kbn s PHE 81 CO 0.12 -0.06 -0.00 -1.14 -0.10 0.00 0.00 175.22 174.04 2kbn s GLN 82 N -3.63 0.46 -0.12 0.44 0.74 -1.08 -4.30 119.66 112.17 2kbn s GLN 82 Ca 0.52 -0.83 -0.00 0.00 0.05 0.00 0.00 55.36 55.11 2kbn s GLN 82 Cb -0.10 0.17 -0.02 0.00 1.10 0.00 0.00 33.01 34.16 2kbn s GLN 82 CO 0.28 -0.09 -0.12 0.14 -0.55 0.00 0.00 175.29 174.95 2kbn s VAL 83 N -2.45 3.14 -0.25 1.34 -7.23 -1.04 0.41 120.40 114.32 2kbn s VAL 83 Ca -0.07 -0.64 -0.07 0.00 -1.81 0.00 0.00 61.98 59.39 2kbn s VAL 83 Cb -0.03 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 2kbn s VAL 83 CO -0.04 0.53 0.08 -1.10 -0.31 0.00 0.00 175.10 174.25 2kbn s GLN 84 N 0.22 3.65 -0.54 4.82 -0.21 -0.75 -2.50 119.66 124.35 2kbn s GLN 84 Ca -0.08 -0.48 -0.19 0.00 0.02 0.00 0.00 55.36 54.62 2kbn s GLN 84 Cb -0.15 -3.34 0.07 0.00 1.00 0.00 0.00 33.01 30.59 2kbn s GLN 84 CO 0.05 -0.20 0.68 0.08 -2.12 0.00 0.00 175.29 173.78 2kbn s VAL 85 N 1.62 4.80 0.33 1.09 1.01 -0.96 -3.64 120.40 124.65 2kbn s VAL 85 Ca 0.06 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 2kbn s VAL 85 Cb -0.15 -4.39 0.02 0.00 0.00 0.00 0.00 36.38 31.85 2kbn s VAL 85 CO 0.04 -0.96 0.52 -0.46 0.00 0.00 0.00 175.10 174.23 2kbn n ASN 86 N 6.37 -1.46 0.00 3.32 2.04 -1.26 -2.74 115.26 121.53 2kbn n ASN 86 Ca -0.07 -2.64 0.00 0.00 -0.44 0.00 0.00 54.58 51.43 2kbn n ASN 86 Cb 0.44 2.61 0.00 0.00 -2.53 0.00 0.00 39.78 40.31 2kbn n ASN 86 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 2kbn n LYS 87 N -0.51 0.00 -0.27 -3.83 4.81 -1.26 -2.26 118.16 114.83 2kbn n LYS 87 Ca -0.02 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.50 2kbn n LYS 87 Cb 0.53 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.80 2kbn n LYS 87 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kbn n ASN 88 N 5.23 2.74 -4.14 3.14 5.03 -1.26 -4.73 115.26 121.27 2kbn n ASN 88 Ca 0.00 -2.04 -0.59 0.00 0.87 0.00 0.00 54.58 52.83 2kbn n ASN 88 Cb 0.00 -0.35 -0.11 0.00 -1.02 0.00 0.00 39.78 38.30 2kbn n ASN 88 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2kbn n SER 89 N 0.92 0.79 -4.78 6.41 2.88 -0.96 -4.86 113.62 114.02 2kbn n SER 89 Ca 0.17 0.73 -0.36 0.00 -1.33 0.00 0.00 58.87 58.07 2kbn n SER 89 Cb 0.45 -0.86 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 2kbn n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kbn s SER 90 N 5.23 7.01 -0.03 -3.46 0.01 -0.92 -4.91 113.70 116.63 2kbn s SER 90 Ca 1.12 1.94 0.01 0.00 1.31 0.00 0.00 55.95 60.33 2kbn s SER 90 Cb -1.43 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 62.24 2kbn s SER 90 CO 0.66 -0.31 -0.03 -0.63 0.41 0.00 0.00 173.24 173.34 2kbn s ILE 91 N -1.67 0.38 -0.06 1.44 1.01 -1.26 -2.43 121.20 118.60 2kbn s ILE 91 Ca 0.55 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.15 2kbn s ILE 91 Cb -0.20 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 41.88 2kbn s ILE 91 CO 0.25 0.17 -0.12 -0.70 0.00 0.00 0.00 174.94 174.54 2kbn s GLU 92 N 0.72 1.57 -0.10 2.79 2.12 -1.07 -4.97 118.70 119.75 2kbn s GLU 92 Ca -0.08 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 2kbn s GLU 92 Cb -0.12 -1.33 -0.01 0.00 0.26 0.00 0.00 34.13 32.93 2kbn s GLU 92 CO -0.01 0.06 0.97 0.21 -0.54 0.00 0.00 175.26 175.96 2kbn s LYS 93 N 0.54 4.42 -0.19 4.30 2.20 -1.26 -1.81 119.74 127.95 2kbn s LYS 93 Ca -0.12 1.33 -0.09 0.00 -0.36 0.00 0.00 55.97 56.73 2kbn s LYS 93 Cb -0.14 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 2kbn s LYS 93 CO 0.03 -0.28 0.11 -0.51 -0.36 0.00 0.00 175.35 174.34 2kbn s LEU 94 N 1.91 4.13 0.00 5.43 1.02 -1.08 -4.95 118.68 125.14 2kbn s LEU 94 Ca 0.47 0.22 0.31 0.00 0.02 0.00 0.00 54.13 55.15 2kbn s LEU 94 Cb -0.18 -2.06 1.65 0.00 0.02 0.00 0.00 46.19 45.62 2kbn s LEU 94 CO 0.18 0.21 2.11 -0.24 0.02 0.00 0.00 176.35 178.62 2kbn n SER 95 N 3.35 0.00 -4.36 2.29 2.88 -1.26 -4.06 113.62 112.45 2kbn n SER 95 Ca -0.17 -0.45 -0.43 0.00 -1.33 0.00 0.00 58.87 56.49 2kbn n SER 95 Cb 0.52 -0.18 -0.09 0.00 -0.75 0.00 0.00 64.21 63.71 2kbn n SER 95 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kbn s GLU 96 N -2.36 2.85 0.56 -1.46 2.02 -1.26 -5.04 118.70 114.02 2kbn s GLU 96 Ca 0.35 -1.32 -0.16 0.00 0.02 0.00 0.00 54.97 53.86 2kbn s GLU 96 Cb 0.21 -3.97 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 2kbn s GLU 96 CO 0.42 -0.95 1.03 -1.25 0.02 0.00 0.00 175.26 174.54 2kbn s PRO 97 N 1.57 3.55 -0.21 0.39 0.04 -1.26 -4.71 135.00 134.36 2kbn s PRO 97 Ca 0.04 1.13 -0.09 0.00 0.04 0.00 0.00 61.00 62.11 2kbn s PRO 97 Cb -0.23 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 2kbn s PRO 97 CO 0.06 -0.62 0.12 0.42 0.04 0.00 0.00 177.00 177.02 2kbn s ILE 98 N -2.49 5.09 -0.22 0.56 1.01 -1.26 -5.06 121.20 118.83 2kbn s ILE 98 Ca 0.62 0.08 -0.21 0.00 0.00 0.00 0.00 60.65 61.14 2kbn s ILE 98 Cb -0.14 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 2kbn s ILE 98 CO 0.34 0.40 0.66 -0.70 0.00 0.00 0.00 174.94 175.64 2kbn s GLU 99 N 0.76 4.17 -0.01 2.79 2.12 -1.26 -4.89 118.70 122.38 2kbn s GLU 99 Ca 0.06 0.64 0.11 0.00 0.36 0.00 0.00 54.97 56.14 2kbn s GLU 99 Cb -0.13 -3.61 -0.14 0.00 0.26 0.00 0.00 34.13 30.51 2kbn s GLU 99 CO 0.02 -0.34 0.39 0.28 -0.54 0.00 0.00 175.26 175.07 2kbn n VAL 100 N 4.95 0.00 0.00 3.70 0.31 -1.26 -4.90 118.33 121.13 2kbn n VAL 100 Ca -0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2kbn n VAL 100 Cb 0.49 0.73 0.00 0.00 -0.91 0.00 0.00 33.84 34.15 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 1.47 0.77 0.24 2.92 0.00 -1.26 -5.00 105.19 104.33 2kbn n GLY 101 Ca 0.01 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 0.96 0.00 0.99 4.77 -1.26 -4.77 117.00 117.69 2kbn n LEU 102 Ca 0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2kbn n LEU 102 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2kbn n LEU 102 CO 0.00 0.18 0.00 1.21 -1.33 0.00 0.00 177.39 177.45 2kbn n GLU 103 N -0.63 0.00 0.00 3.23 0.00 -1.26 -5.08 120.64 116.90 2kbn n GLU 103 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.29 2kbn n GLU 103 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.77 2kbn n GLU 103 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2kbn n HIS 104 N -2.47 0.00 -3.73 4.31 -0.00 -1.26 -4.48 115.22 107.58 2kbn n HIS 104 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2kbn n HIS 104 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 2kbn n HIS 104 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kbn s HIS 105 N 0.00 -0.31 -0.04 1.57 0.09 -1.26 -5.17 115.29 110.17 2kbn s HIS 105 Ca 0.00 0.64 -0.24 0.00 -0.00 0.00 0.00 55.06 55.45 2kbn s HIS 105 Cb 0.00 0.14 0.05 0.00 -0.00 0.00 0.00 32.58 32.77 2kbn s HIS 105 CO 0.00 -0.34 0.53 -3.38 -0.00 0.00 0.00 174.74 171.55 2kbn s HIS 106 N -0.72 -0.47 -0.17 1.40 -3.43 -1.26 -5.15 115.29 105.49 2kbn s HIS 106 Ca -0.08 0.80 -0.01 0.00 -0.80 0.00 0.00 55.06 54.96 2kbn s HIS 106 Cb -0.04 0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 31.39 2kbn s HIS 106 CO 0.03 -0.51 -0.12 -1.01 -2.00 0.00 0.00 174.74 171.13 2kbn s HIS 107 N -1.20 2.85 -0.16 0.38 3.76 -1.26 -5.10 115.29 114.55 2kbn s HIS 107 Ca -0.12 -0.94 -0.15 0.00 -0.15 0.00 0.00 55.06 53.70 2kbn s HIS 107 Cb -0.02 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 2kbn s HIS 107 CO 0.07 -0.44 0.33 -1.58 -0.85 0.00 0.00 174.74 172.27 2kbn s HIS 108 N 0.91 3.45 0.00 1.40 5.04 -1.26 -5.36 115.29 119.47 2kbn s HIS 108 Ca -0.03 0.63 0.00 0.00 -1.54 0.00 0.00 55.06 54.13 2kbn s HIS 108 Cb -0.15 -2.40 0.00 0.00 0.04 0.00 0.00 32.58 30.08 2kbn s HIS 108 CO -0.01 0.19 0.00 -2.39 -2.34 0.00 0.00 174.74 170.19