#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 0.86 -1.91 0.03 -0.58 -1.26 -4.94 120.64 112.85 2kbn n GLU 2 Ca 0.00 0.35 -0.36 0.00 -0.42 0.00 0.00 57.16 56.73 2kbn n GLU 2 Cb 0.00 -2.33 0.04 0.00 -0.57 0.00 0.00 31.44 28.58 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 -3.17 2.83 -0.96 3.49 0.04 -1.26 -4.89 135.00 131.08 2kbn s PRO 3 Ca 0.78 1.81 -0.24 0.00 0.04 0.00 0.00 61.00 63.39 2kbn s PRO 3 Cb -0.38 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2kbn s PRO 3 CO 0.45 -1.31 1.78 1.14 0.04 0.00 0.00 177.00 179.10 2kbn s GLN 4 N -3.45 2.92 0.24 4.56 -2.07 -1.26 -4.96 119.66 115.64 2kbn s GLN 4 Ca 0.77 -0.63 -0.30 0.00 -1.82 0.00 0.00 55.36 53.38 2kbn s GLN 4 Cb -0.30 -5.18 -0.09 0.00 -1.09 0.00 0.00 33.01 26.35 2kbn s GLN 4 CO 0.35 -3.00 0.96 -0.51 -1.32 0.00 0.00 175.29 171.77 2kbn s LEU 5 N 8.34 4.63 -0.07 2.60 1.43 -1.26 -2.33 118.68 132.03 2kbn s LEU 5 Ca 0.62 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.73 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 -0.03 0.12 -0.15 -0.89 0.23 0.00 0.00 176.35 175.63 2kbn s THR 6 N -1.13 1.30 0.48 5.49 2.01 -0.59 -4.90 115.64 118.30 2kbn s THR 6 Ca 0.42 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.72 2kbn s THR 6 Cb -0.27 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.02 2kbn s THR 6 CO 0.33 0.39 0.86 -0.54 -0.69 0.00 0.00 174.62 174.97 2kbn s LYS 7 N 0.51 3.72 0.18 4.92 1.02 -1.26 -4.63 119.74 124.20 2kbn s LYS 7 Ca -0.13 0.54 -0.12 0.00 0.02 0.00 0.00 55.97 56.28 2kbn s LYS 7 Cb -0.15 -2.28 0.08 0.00 -0.52 0.00 0.00 37.83 34.95 2kbn s LYS 7 CO 0.04 -0.22 1.74 0.82 -0.92 0.00 0.00 175.35 176.82 2kbn h ILE 8 N 0.59 1.23 0.00 2.17 2.04 -1.96 -1.98 117.51 119.60 2kbn h ILE 8 Ca -0.46 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 2kbn h ILE 8 Cb 1.19 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2kbn h ILE 8 CO 0.63 0.27 -0.11 1.62 0.00 0.00 0.00 178.15 180.55 2kbn h VAL 9 N 0.84 0.48 0.00 1.67 3.04 -1.94 -0.91 116.25 119.43 2kbn h VAL 9 Ca 0.20 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2kbn h VAL 9 Cb 0.18 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2kbn h VAL 9 CO -0.02 0.11 0.00 0.47 -1.01 0.00 0.00 177.57 177.12 2kbn n ASP 10 N -3.54 0.00 -4.57 3.17 8.00 -0.75 -4.64 116.55 114.22 2kbn n ASP 10 Ca -0.02 0.11 -0.41 0.00 0.71 0.00 0.00 54.79 55.18 2kbn n ASP 10 Cb 0.25 -0.36 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 2kbn n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kbn s ILE 11 N -2.71 5.02 0.00 0.53 1.01 -0.35 -4.80 121.20 119.90 2kbn s ILE 11 Ca 0.20 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.33 2kbn s ILE 11 Cb 0.17 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2kbn s ILE 11 CO 0.41 -0.16 0.45 1.33 0.00 0.00 0.00 174.94 176.97 2kbn n VAL 12 N 5.38 0.00 -4.03 2.92 0.24 -1.26 -5.04 118.33 116.55 2kbn n VAL 12 Ca -0.04 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.10 2kbn n VAL 12 Cb 0.49 0.34 -0.15 0.00 -1.47 0.00 0.00 33.84 33.05 2kbn n VAL 12 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2kbn s GLU 13 N 0.00 0.29 0.44 7.34 -1.05 -1.26 -5.14 118.70 119.33 2kbn s GLU 13 Ca 0.00 -0.07 -0.22 0.00 -0.15 0.00 0.00 54.97 54.53 2kbn s GLU 13 Cb 0.00 -0.33 -0.08 0.00 -0.44 0.00 0.00 34.13 33.27 2kbn s GLU 13 CO 0.00 0.02 1.06 1.21 0.95 0.00 0.00 175.26 178.50 2kbn s ASN 14 N 0.22 6.51 -0.08 0.83 3.04 -1.26 -4.60 114.94 119.59 2kbn s ASN 14 Ca -0.02 2.03 -0.05 0.00 0.04 0.00 0.00 52.86 54.86 2kbn s ASN 14 Cb -0.05 -2.58 0.02 0.00 -1.54 0.00 0.00 41.25 37.10 2kbn s ASN 14 CO -0.01 -0.67 0.10 0.61 -3.04 0.00 0.00 177.10 174.10 2kbn n GLY 15 N 0.14 -3.93 3.61 1.21 0.00 -0.88 -5.06 105.19 100.27 2kbn n GLY 15 Ca 0.07 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.85 0.50 -0.18 1.61 0.74 -1.26 -4.93 119.66 115.29 2kbn s GLN 16 Ca -0.12 0.96 -0.13 0.00 0.05 0.00 0.00 55.36 56.12 2kbn s GLN 16 Cb 0.01 0.27 -0.05 0.00 1.10 0.00 0.00 33.01 34.34 2kbn s GLN 16 CO 0.34 -0.12 0.28 -1.58 -0.55 0.00 0.00 175.29 173.66 2kbn s TRP 17 N 1.83 3.43 0.02 1.67 0.52 -1.26 -2.51 118.94 122.64 2kbn s TRP 17 Ca -0.08 0.54 -0.28 0.00 0.02 0.00 0.00 56.10 56.30 2kbn s TRP 17 Cb -0.06 -2.35 0.10 0.00 -1.15 0.00 0.00 33.47 30.01 2kbn s TRP 17 CO -0.17 0.18 1.24 0.00 0.02 0.00 0.00 176.95 178.22 2kbn s ALA 18 N 0.67 -2.26 0.05 0.98 0.00 -1.08 -4.97 121.76 115.16 2kbn s ALA 18 Ca 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2kbn s ALA 18 Cb -0.13 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2kbn s ALA 18 CO 0.04 -1.11 0.23 -0.80 0.00 0.00 0.00 175.76 174.12 2kbn s ASN 19 N -3.54 6.39 -0.01 0.00 0.02 -0.98 -2.39 114.94 114.43 2kbn s ASN 19 Ca 0.24 0.35 0.00 0.00 -1.02 0.00 0.00 52.86 52.43 2kbn s ASN 19 Cb 0.00 -1.99 0.01 0.00 0.02 0.00 0.00 41.25 39.29 2kbn s ASN 19 CO -0.00 0.18 0.01 -0.22 0.02 0.00 0.00 177.10 177.08 2kbn s LEU 20 N -2.37 1.63 -0.07 0.60 2.96 0.43 -1.54 118.68 120.32 2kbn s LEU 20 Ca 0.34 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2kbn s LEU 20 Cb -0.13 -0.06 -0.00 0.00 0.50 0.00 0.00 46.19 46.50 2kbn s LEU 20 CO 0.25 -0.05 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.27 2kbn s LYS 21 N 0.42 2.47 0.35 1.98 2.20 -1.26 0.12 119.74 126.02 2kbn s LYS 21 Ca -0.04 -0.77 -0.17 0.00 -0.36 0.00 0.00 55.97 54.63 2kbn s LYS 21 Cb -0.05 -1.99 0.05 0.00 -1.51 0.00 0.00 37.83 34.33 2kbn s LYS 21 CO -0.01 0.23 0.81 0.00 -0.36 0.00 0.00 175.35 176.02 2kbn s ALA 22 N 0.17 -0.88 0.04 3.13 0.00 -1.14 -5.01 121.76 118.08 2kbn s ALA 22 Ca -0.11 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2kbn s ALA 22 Cb -0.15 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 2kbn s ALA 22 CO 0.05 -1.00 -0.14 0.21 0.00 0.00 0.00 175.76 174.88 2kbn s LYS 23 N -2.43 2.19 -0.51 0.00 2.20 -1.05 -2.28 119.74 117.86 2kbn s LYS 23 Ca 0.16 -0.93 -0.26 0.00 -0.36 0.00 0.00 55.97 54.58 2kbn s LYS 23 Cb -0.05 -2.27 0.03 0.00 -1.51 0.00 0.00 37.83 34.03 2kbn s LYS 23 CO 0.10 0.55 1.02 0.08 -0.36 0.00 0.00 175.35 176.74 2kbn s VAL 24 N -0.98 4.31 -0.22 4.02 1.01 -1.12 -1.65 120.40 125.77 2kbn s VAL 24 Ca 0.16 0.74 -0.14 0.00 0.00 0.00 0.00 61.98 62.73 2kbn s VAL 24 Cb -0.11 -4.55 -0.18 0.00 0.00 0.00 0.00 36.38 31.54 2kbn s VAL 24 CO 0.07 -1.04 0.01 -0.38 0.00 0.00 0.00 175.10 173.75 2kbn n ILE 25 N 6.49 1.57 -3.77 2.22 2.08 -1.25 -2.57 119.36 124.13 2kbn n ILE 25 Ca 0.06 -0.30 -0.13 0.00 0.56 0.00 0.00 62.75 62.95 2kbn n ILE 25 Cb 0.48 -1.88 -0.11 0.00 -0.75 0.00 0.00 39.64 37.39 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2kbn s GLN 26 N -2.46 0.37 0.02 0.38 0.74 -1.25 -4.85 119.66 112.62 2kbn s GLN 26 Ca -0.32 0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.49 2kbn s GLN 26 Cb 0.09 0.18 -0.01 0.00 1.10 0.00 0.00 33.01 34.37 2kbn s GLN 26 CO 0.59 -0.05 -0.06 -0.48 -0.55 0.00 0.00 175.29 174.74 2kbn s LEU 27 N 0.08 2.14 -0.02 3.68 2.34 -1.26 -2.69 118.68 122.95 2kbn s LEU 27 Ca -0.01 -0.34 0.04 0.00 0.06 0.00 0.00 54.13 53.89 2kbn s LEU 27 Cb -0.02 -0.17 -0.03 0.00 -0.56 0.00 0.00 46.19 45.41 2kbn s LEU 27 CO 0.01 -0.10 -0.14 0.26 -1.06 0.00 0.00 176.35 175.32 2kbn s TRP 28 N -0.81 2.70 -0.25 3.48 0.51 -0.25 -4.99 118.94 119.33 2kbn s TRP 28 Ca -0.05 -0.16 -0.29 0.00 -2.12 0.00 0.00 56.10 53.48 2kbn s TRP 28 Cb -0.06 -1.59 0.01 0.00 -0.81 0.00 0.00 33.47 31.02 2kbn s TRP 28 CO 0.00 0.23 1.03 -2.00 -0.51 0.00 0.00 176.95 175.70 2kbn s GLU 29 N -0.99 4.22 0.21 4.98 2.12 -1.26 -2.61 118.70 125.37 2kbn s GLU 29 Ca 0.13 1.28 0.00 0.00 0.36 0.00 0.00 54.97 56.74 2kbn s GLU 29 Cb -0.11 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.63 2kbn s GLU 29 CO 0.03 -0.66 0.00 -1.71 -0.54 0.00 0.00 175.26 172.37 2kbn n ASN 30 N 6.38 -2.93 0.00 -1.70 2.85 -0.13 -4.95 115.26 114.78 2kbn n ASN 30 Ca 0.11 0.47 0.00 0.00 -0.11 0.00 0.00 54.58 55.06 2kbn n ASN 30 Cb 0.46 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.88 2kbn n ASN 30 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2kbn n THR 31 N -1.67 0.00 0.00 -0.44 -1.04 -1.26 -4.68 114.28 105.19 2kbn n THR 31 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2kbn n THR 31 Cb 0.20 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 2kbn n THR 31 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2kbn n HIS 32 N -1.19 0.00 0.12 -1.42 -0.00 -1.26 -5.09 115.22 106.37 2kbn n HIS 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kbn n HIS 32 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2kbn n HIS 32 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2kbn n GLU 33 N -0.76 0.00 0.00 1.57 0.00 -1.26 -4.90 120.64 115.29 2kbn n GLU 33 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.31 2kbn n GLU 33 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 31.44 32.17 2kbn n GLU 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2kbn n SER 34 N -3.01 0.00 -4.60 4.31 7.64 -1.26 -4.69 113.62 112.01 2kbn n SER 34 Ca 0.00 -0.03 -0.40 0.00 1.01 0.00 0.00 58.87 59.45 2kbn n SER 34 Cb 0.00 -0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 62.80 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 -2.64 5.08 -0.03 0.44 1.01 -1.26 -3.74 121.20 120.04 2kbn s ILE 35 Ca 0.26 0.73 -0.20 0.00 0.00 0.00 0.00 60.65 61.43 2kbn s ILE 35 Cb 0.20 -3.83 -0.14 0.00 0.01 0.00 0.00 42.46 38.70 2kbn s ILE 35 CO 0.47 0.04 0.89 -1.28 0.00 0.00 0.00 174.94 175.06 2kbn h SER 36 N 8.13 -0.30 -4.71 3.58 0.87 -1.69 -3.37 113.55 116.05 2kbn h SER 36 Ca -0.29 -0.22 -0.14 0.00 -1.23 0.00 0.00 61.79 59.92 2kbn h SER 36 Cb 1.14 0.08 -0.21 0.00 -0.44 0.00 0.00 62.40 62.97 2kbn h SER 36 CO 0.71 0.18 -0.37 -1.10 -0.53 0.00 0.00 176.83 175.72 2kbn s GLN 37 N -3.67 0.53 -0.03 2.24 -0.21 -1.25 -0.96 119.66 116.32 2kbn s GLN 37 Ca -0.12 -0.12 -0.04 0.00 0.02 0.00 0.00 55.36 55.11 2kbn s GLN 37 Cb 0.01 0.23 0.01 0.00 1.00 0.00 0.00 33.01 34.26 2kbn s GLN 37 CO 0.43 -0.13 0.09 0.54 -2.12 0.00 0.00 175.29 174.10 2kbn s VAL 38 N -1.00 0.02 0.00 1.09 0.11 -1.07 -1.33 120.40 118.23 2kbn s VAL 38 Ca -0.11 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 2kbn s VAL 38 Cb -0.05 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2kbn s VAL 38 CO 0.03 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 2kbn n GLY 39 N 2.65 1.77 3.10 6.54 0.00 -1.11 -1.09 105.19 117.06 2kbn n GLY 39 Ca -0.15 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 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 2.21 -0.11 0.99 2.34 -1.10 -2.09 118.68 120.92 2kbn s LEU 40 Ca 0.00 -0.48 0.02 0.00 0.06 0.00 0.00 54.13 53.73 2kbn s LEU 40 Cb 0.00 -0.40 -0.01 0.00 -0.56 0.00 0.00 46.19 45.23 2kbn s LEU 40 CO 0.00 -0.07 -0.18 -0.76 -1.06 0.00 0.00 176.35 174.28 2kbn s LEU 41 N -1.31 2.42 0.59 1.48 1.43 -0.35 -3.75 118.68 119.18 2kbn s LEU 41 Ca -0.03 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 2kbn s LEU 41 Cb -0.08 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 2kbn s LEU 41 CO 0.01 0.18 0.95 -0.83 0.23 0.00 0.00 176.35 176.88 2kbn s GLY 42 N 0.27 1.60 -0.22 -3.19 0.00 -0.66 -2.61 107.32 102.50 2kbn s GLY 42 Ca -0.13 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 2kbn s GLY 42 CO 0.07 -0.09 1.19 -0.35 0.00 0.00 0.00 173.10 173.92 2kbn s ASP 43 N -4.20 -0.19 0.51 1.64 -1.08 -0.40 -2.51 116.67 110.43 2kbn s ASP 43 Ca 0.53 0.21 0.34 0.00 -0.52 0.00 0.00 52.55 53.10 2kbn s ASP 43 Cb -0.11 0.16 1.83 0.00 -1.46 0.00 0.00 42.92 43.34 2kbn s ASP 43 CO 0.50 -0.18 2.03 -0.33 0.52 0.00 0.00 175.17 177.70 2kbn h GLU 44 N 2.28 0.00 0.00 4.34 5.08 -1.90 0.28 114.58 124.67 2kbn h GLU 44 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2kbn h GLU 44 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kbn h GLU 44 CO 0.26 0.00 -0.68 0.25 -1.00 0.00 0.00 179.01 177.84 2kbn n THR 45 N -2.70 0.06 0.00 1.13 -2.24 -1.26 -5.06 114.28 104.21 2kbn n THR 45 Ca -0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2kbn n THR 45 Cb 0.08 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.46 0.98 3.13 3.38 0.00 0.98 -4.43 105.19 110.69 2kbn n GLY 46 Ca 0.04 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.01 1.51 0.06 -0.61 1.01 -1.26 -1.28 121.20 117.62 2kbn s ILE 47 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.96 2kbn s ILE 47 Cb 0.00 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2kbn s ILE 47 CO 0.00 0.43 -0.13 -0.51 0.00 0.00 0.00 174.94 174.73 2kbn s ILE 48 N 0.25 1.03 0.21 2.92 2.07 -1.07 -4.98 121.20 121.63 2kbn s ILE 48 Ca -0.10 -1.16 -0.07 0.00 -1.41 0.00 0.00 60.65 57.92 2kbn s ILE 48 Cb -0.14 -0.99 -0.06 0.00 0.13 0.00 0.00 42.46 41.40 2kbn s ILE 48 CO 0.04 -0.16 0.49 -0.54 -1.91 0.00 0.00 174.94 172.85 2kbn s LYS 49 N -1.50 3.70 0.03 3.50 1.02 -1.26 -1.22 119.74 124.01 2kbn s LYS 49 Ca -0.02 0.08 -0.04 0.00 0.02 0.00 0.00 55.97 56.01 2kbn s LYS 49 Cb -0.09 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2kbn s LYS 49 CO 0.02 0.35 0.07 -0.59 -0.92 0.00 0.00 175.35 174.28 2kbn s PHE 50 N -1.82 0.20 -0.05 3.18 -0.71 -0.89 -2.43 117.98 115.46 2kbn s PHE 50 Ca 0.44 -0.47 0.02 0.00 -1.04 0.00 0.00 56.93 55.89 2kbn s PHE 50 Cb -0.11 -0.15 0.01 0.00 -1.21 0.00 0.00 43.02 41.56 2kbn s PHE 50 CO 0.24 -0.31 -0.10 0.99 -1.34 0.00 0.00 175.22 174.70 2kbn s THR 51 N -2.16 0.98 -0.26 -4.49 2.01 -1.04 -2.74 115.64 107.94 2kbn s THR 51 Ca -0.09 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 2kbn s THR 51 Cb -0.04 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 2kbn s THR 51 CO -0.03 0.32 0.17 -0.63 -0.69 0.00 0.00 174.62 173.76 2kbn s ILE 52 N 0.62 5.29 -0.15 1.82 1.01 -0.44 -1.91 121.20 127.43 2kbn s ILE 52 Ca -0.12 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 2kbn s ILE 52 Cb -0.14 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 2kbn s ILE 52 CO 0.03 0.29 0.22 0.26 0.00 0.00 0.00 174.94 175.73 2kbn s TRP 53 N 1.48 3.51 -0.71 3.97 0.52 -0.86 -2.06 118.94 124.78 2kbn s TRP 53 Ca 0.07 0.54 -0.05 0.00 0.02 0.00 0.00 56.10 56.68 2kbn s TRP 53 Cb -0.15 -2.18 0.04 0.00 -1.15 0.00 0.00 33.47 30.03 2kbn s TRP 53 CO 0.08 0.42 2.74 0.36 0.02 0.00 0.00 176.95 180.57 2kbn n LYS 54 N 2.98 3.07 0.00 4.98 2.85 -1.25 -4.54 118.16 126.26 2kbn n LYS 54 Ca -0.15 -2.56 0.14 0.00 -1.05 0.00 0.00 58.31 54.69 2kbn n LYS 54 Cb 0.53 -2.30 0.79 0.00 -0.65 0.00 0.00 35.03 33.40 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 1.36 0.00 0.00 -5.58 3.02 -1.26 -4.72 115.26 108.08 2kbn n ASN 55 Ca 0.53 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2kbn n ASN 55 Cb 0.48 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.09 0.31 0.00 5.41 0.00 -1.26 -4.89 120.51 118.98 2kbn n ALA 56 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 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 -0.14 0.00 -3.35 0.00 0.28 -1.26 -5.16 120.64 111.02 2kbn n GLU 57 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 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 4.21 0.63 -1.84 1.43 -1.26 -5.06 118.68 116.80 2kbn s LEU 58 Ca 0.00 1.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.98 2kbn s LEU 58 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 2kbn s LEU 58 CO 0.00 -0.03 1.13 -2.16 0.23 0.00 0.00 176.35 175.52 2kbn s PRO 59 N -2.53 2.88 0.36 1.29 0.04 -1.26 -4.99 135.00 130.79 2kbn s PRO 59 Ca 0.45 1.50 -0.27 0.00 0.04 0.00 0.00 61.00 62.73 2kbn s PRO 59 Cb -0.12 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 2kbn s PRO 59 CO 0.20 -1.20 1.12 -0.51 0.04 0.00 0.00 177.00 176.65 2kbn s LEU 60 N -4.59 4.31 0.02 -3.56 1.43 -1.26 -5.01 118.68 110.03 2kbn s LEU 60 Ca 0.70 2.26 -0.22 0.00 -1.03 0.00 0.00 54.13 55.84 2kbn s LEU 60 Cb -0.23 -3.91 -0.06 0.00 0.03 0.00 0.00 46.19 42.03 2kbn s LEU 60 CO 0.38 -0.44 0.64 -0.76 0.23 0.00 0.00 176.35 176.39 2kbn s LEU 61 N -2.14 4.44 0.08 1.79 1.02 -1.26 -5.06 118.68 117.55 2kbn s LEU 61 Ca 0.53 1.25 -0.10 0.00 0.02 0.00 0.00 54.13 55.82 2kbn s LEU 61 Cb -0.29 -3.00 -0.06 0.00 0.02 0.00 0.00 46.19 42.86 2kbn s LEU 61 CO 0.37 0.10 0.41 -0.70 0.02 0.00 0.00 176.35 176.56 2kbn s GLU 62 N -0.27 3.79 0.32 1.70 2.56 -1.26 -5.06 118.70 120.47 2kbn s GLU 62 Ca 0.33 0.21 -0.27 0.00 0.00 0.00 0.00 54.97 55.24 2kbn s GLU 62 Cb -0.19 -3.00 -0.10 0.00 2.00 0.00 0.00 34.13 32.84 2kbn s GLU 62 CO 0.19 0.56 0.96 -1.14 -0.56 0.00 0.00 175.26 175.27 2kbn s GLN 63 N -1.87 4.58 0.00 4.30 0.74 -1.26 -3.67 119.66 122.47 2kbn s GLN 63 Ca 0.33 1.40 0.00 0.00 0.05 0.00 0.00 55.36 57.14 2kbn s GLN 63 Cb -0.14 -2.85 0.00 0.00 1.10 0.00 0.00 33.01 31.11 2kbn s GLN 63 CO 0.18 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.59 2kbn n GLY 64 N 0.69 0.48 3.00 2.59 0.00 -1.06 -5.05 105.19 105.84 2kbn n GLY 64 Ca 0.02 -0.91 -0.14 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 -2.51 0.43 0.18 1.61 2.02 -1.24 -5.01 118.70 114.18 2kbn s GLU 65 Ca 0.00 -0.44 -0.15 0.00 0.02 0.00 0.00 54.97 54.40 2kbn s GLU 65 Cb 0.00 -0.30 -0.07 0.00 0.10 0.00 0.00 34.13 33.86 2kbn s GLU 65 CO 0.00 0.07 0.59 -1.54 0.02 0.00 0.00 175.26 174.40 2kbn s SER 66 N -0.82 6.84 0.04 -0.19 1.04 -1.26 -2.78 113.70 116.58 2kbn s SER 66 Ca -0.04 1.13 0.01 0.00 0.48 0.00 0.00 55.95 57.53 2kbn s SER 66 Cb -0.06 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 2kbn s SER 66 CO 0.00 0.05 -0.06 -0.31 0.98 0.00 0.00 173.24 173.91 2kbn s TYR 67 N -1.54 0.55 -0.21 5.02 2.02 -0.97 -2.66 117.35 119.56 2kbn s TYR 67 Ca 0.41 -0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 56.43 2kbn s TYR 67 Cb -0.15 -0.35 -0.01 0.00 -0.40 0.00 0.00 41.96 41.05 2kbn s TYR 67 CO 0.20 -0.16 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.81 2kbn s LEU 68 N -1.91 2.98 -0.16 -1.29 2.96 -0.46 -2.88 118.68 117.91 2kbn s LEU 68 Ca -0.07 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 2kbn s LEU 68 Cb -0.06 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2kbn s LEU 68 CO -0.02 0.01 0.09 -0.76 -1.32 0.00 0.00 176.35 174.35 2kbn s LEU 69 N 1.32 4.03 0.05 -0.68 1.43 0.12 -2.37 118.68 122.59 2kbn s LEU 69 Ca 0.04 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 2kbn s LEU 69 Cb -0.14 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2kbn s LEU 69 CO -0.01 0.25 -0.15 -0.13 0.23 0.00 0.00 176.35 176.53 2kbn s ARG 70 N -0.06 0.93 -1.16 1.70 0.52 -1.04 -0.43 118.95 119.41 2kbn s ARG 70 Ca 0.08 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.37 2kbn s ARG 70 Cb -0.12 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.36 2kbn s ARG 70 CO 0.01 0.23 0.85 0.43 0.02 0.00 0.00 175.30 176.84 2kbn n SER 71 N 1.64 -4.02 -4.68 0.23 7.64 -1.24 -2.45 113.62 110.75 2kbn n SER 71 Ca -0.19 -0.78 -0.24 0.00 1.01 0.00 0.00 58.87 58.67 2kbn n SER 71 Cb 0.54 -4.54 -0.07 0.00 -1.01 0.00 0.00 64.21 59.13 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 -3.47 3.70 -0.08 0.44 -7.23 -1.01 -3.85 120.40 108.90 2kbn s VAL 72 Ca 0.25 -1.67 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2kbn s VAL 72 Cb -0.05 -2.94 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 2kbn s VAL 72 CO 0.78 -0.28 -0.19 0.54 -0.31 0.00 0.00 175.10 175.64 2kbn s VAL 73 N -2.09 2.62 -0.34 1.32 0.11 -1.25 -2.62 120.40 118.15 2kbn s VAL 73 Ca 0.30 -0.86 -0.24 0.00 -2.93 0.00 0.00 61.98 58.26 2kbn s VAL 73 Cb -0.08 -2.02 0.01 0.00 -1.53 0.00 0.00 36.38 32.76 2kbn s VAL 73 CO 0.20 0.56 0.82 -0.69 -3.33 0.00 0.00 175.10 172.67 2kbn s VAL 74 N -0.16 4.72 0.51 2.04 1.01 -1.04 -1.35 120.40 126.13 2kbn s VAL 74 Ca -0.02 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.12 2kbn s VAL 74 Cb -0.14 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.08 2kbn s VAL 74 CO 0.04 -0.39 0.67 -0.83 0.00 0.00 0.00 175.10 174.59 2kbn s GLY 75 N 1.76 1.86 -0.21 4.51 0.00 0.40 -2.06 107.32 113.58 2kbn s GLY 75 Ca 0.33 -1.92 -0.04 0.00 0.00 0.00 0.00 44.72 43.09 2kbn s GLY 75 CO 0.15 -1.64 -0.04 1.85 0.00 0.00 0.00 173.10 173.43 2kbn s GLU 76 N -4.51 3.42 -0.05 2.90 2.56 -1.26 -2.45 118.70 119.31 2kbn s GLU 76 Ca 0.57 -0.61 -0.00 0.00 0.00 0.00 0.00 54.97 54.93 2kbn s GLU 76 Cb -0.07 -3.00 0.03 0.00 2.00 0.00 0.00 34.13 33.09 2kbn s GLU 76 CO 0.35 -0.14 -0.00 -0.47 -0.56 0.00 0.00 175.26 174.44 2kbn s TYR 77 N 1.33 0.49 -1.39 5.30 5.04 -0.74 -4.83 117.35 122.55 2kbn s TYR 77 Ca 0.04 -0.07 -0.08 0.00 -2.44 0.00 0.00 57.07 54.52 2kbn s TYR 77 Cb -0.14 -0.60 0.04 0.00 0.35 0.00 0.00 41.96 41.60 2kbn s TYR 77 CO -0.02 -0.22 0.99 -1.71 -1.34 0.00 0.00 175.55 173.26 2kbn n ASN 78 N 4.59 -4.20 0.00 4.32 2.85 -1.26 -0.20 115.26 121.36 2kbn n ASN 78 Ca -0.17 -0.70 0.00 0.00 -0.11 0.00 0.00 54.58 53.60 2kbn n ASN 78 Cb 0.50 -4.42 0.00 0.00 1.24 0.00 0.00 39.78 37.10 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 -2.97 0.00 -5.03 1.20 -0.08 -1.26 -4.91 116.55 103.49 2kbn n ASP 79 Ca -0.08 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.01 2kbn n ASP 79 Cb 0.58 -2.05 0.06 0.00 2.34 0.00 0.00 41.12 42.05 2kbn n ASP 79 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2kbn s ARG 80 N -0.75 2.33 -0.07 -0.67 0.52 0.73 -5.11 118.95 115.92 2kbn s ARG 80 Ca 0.00 -1.63 0.02 0.00 -0.52 0.00 0.00 55.73 53.60 2kbn s ARG 80 Cb 0.00 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 2kbn s ARG 80 CO 0.00 -0.84 -0.12 -0.06 0.02 0.00 0.00 175.30 174.31 2kbn s PHE 81 N -2.66 2.79 0.13 -0.53 0.08 -1.26 -1.78 117.98 114.75 2kbn s PHE 81 Ca 0.61 -0.18 -0.09 0.00 0.12 0.00 0.00 56.93 57.39 2kbn s PHE 81 Cb -0.06 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 2kbn s PHE 81 CO 0.39 0.16 0.24 1.14 -0.10 0.00 0.00 175.22 177.04 2kbn s GLN 82 N -0.55 1.02 -0.16 0.44 -2.07 -1.03 -4.23 119.66 113.08 2kbn s GLN 82 Ca 0.08 -1.09 -0.05 0.00 -1.82 0.00 0.00 55.36 52.48 2kbn s GLN 82 Cb -0.12 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 32.13 2kbn s GLN 82 CO 0.02 -0.35 0.01 0.14 -1.32 0.00 0.00 175.29 173.79 2kbn s VAL 83 N -3.92 4.37 -0.23 3.63 -7.23 -1.02 -0.45 120.40 115.55 2kbn s VAL 83 Ca 0.12 -0.19 -0.08 0.00 -1.81 0.00 0.00 61.98 60.02 2kbn s VAL 83 Cb 0.04 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 2kbn s VAL 83 CO -0.05 0.50 0.08 -1.10 -0.31 0.00 0.00 175.10 174.22 2kbn s GLN 84 N 0.15 3.77 -0.14 4.82 -0.21 -0.46 -2.48 119.66 125.10 2kbn s GLN 84 Ca 0.02 -0.43 -0.16 0.00 0.02 0.00 0.00 55.36 54.81 2kbn s GLN 84 Cb -0.13 -3.33 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 2kbn s GLN 84 CO 0.02 -0.07 0.39 0.08 -2.12 0.00 0.00 175.29 173.59 2kbn s VAL 85 N 1.31 5.24 0.18 1.09 1.01 -0.80 -3.75 120.40 124.68 2kbn s VAL 85 Ca 0.05 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.82 2kbn s VAL 85 Cb -0.15 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2kbn s VAL 85 CO 0.04 0.35 0.10 0.59 0.00 0.00 0.00 175.10 176.18 2kbn n ASN 86 N 3.68 0.44 -0.07 3.32 3.02 -1.26 -2.04 115.26 122.36 2kbn n ASN 86 Ca -0.09 -2.08 0.06 0.00 -0.03 0.00 0.00 54.58 52.44 2kbn n ASN 86 Cb 0.52 0.65 0.41 0.00 -0.61 0.00 0.00 39.78 40.74 2kbn n ASN 86 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2kbn h LYS 87 N 0.00 0.60 -0.60 3.52 2.10 -1.90 -1.21 116.57 119.07 2kbn h LYS 87 Ca -0.14 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.42 2kbn h LYS 87 Cb 0.60 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.76 2kbn h LYS 87 CO 0.21 0.39 0.14 -0.97 -2.00 0.00 0.00 179.45 177.23 2kbn h ASN 88 N 0.61 0.89 -4.24 7.07 -1.24 -1.96 -3.43 115.58 113.29 2kbn h ASN 88 Ca 0.22 -0.17 -0.50 0.00 0.71 0.00 0.00 56.30 56.55 2kbn h ASN 88 Cb 0.10 -0.23 0.09 0.00 0.73 0.00 0.00 38.32 39.00 2kbn h ASN 88 CO -0.06 0.86 0.37 -0.44 -1.29 0.00 0.00 177.43 176.88 2kbn s SER 89 N -6.53 5.40 0.09 1.15 0.01 -0.46 -4.88 113.70 108.48 2kbn s SER 89 Ca -0.11 1.83 0.06 0.00 1.31 0.00 0.00 55.95 59.04 2kbn s SER 89 Cb 0.15 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2kbn s SER 89 CO 0.82 -1.43 -0.15 -0.94 0.41 0.00 0.00 173.24 171.95 2kbn s SER 90 N -2.99 1.89 -0.06 2.44 1.04 -1.03 -4.76 113.70 110.24 2kbn s SER 90 Ca 0.63 -0.68 0.04 0.00 0.48 0.00 0.00 55.95 56.42 2kbn s SER 90 Cb -0.17 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2kbn s SER 90 CO 0.43 -0.08 -0.18 -0.63 0.98 0.00 0.00 173.24 173.76 2kbn s ILE 91 N -1.51 1.57 -0.04 -1.02 1.01 -1.26 -2.51 121.20 117.44 2kbn s ILE 91 Ca 0.02 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2kbn s ILE 91 Cb -0.08 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.03 2kbn s ILE 91 CO 0.03 0.45 -0.11 -0.70 0.00 0.00 0.00 174.94 174.60 2kbn s GLU 92 N 0.24 1.29 0.11 2.79 2.12 -1.00 -4.97 118.70 119.28 2kbn s GLU 92 Ca -0.10 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 2kbn s GLU 92 Cb -0.14 -1.15 -0.06 0.00 0.26 0.00 0.00 34.13 33.04 2kbn s GLU 92 CO 0.04 0.12 0.96 0.21 -0.54 0.00 0.00 175.26 176.06 2kbn s LYS 93 N 0.27 4.69 -0.17 4.30 2.20 -1.26 -1.36 119.74 128.42 2kbn s LYS 93 Ca -0.06 1.45 -0.08 0.00 -0.36 0.00 0.00 55.97 56.92 2kbn s LYS 93 Cb -0.11 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 2kbn s LYS 93 CO 0.01 0.20 0.12 -0.51 -0.36 0.00 0.00 175.35 174.81 2kbn s LEU 94 N 0.03 4.18 0.00 5.43 1.43 -1.09 -4.95 118.68 123.72 2kbn s LEU 94 Ca 0.47 0.28 0.28 0.00 -1.03 0.00 0.00 54.13 54.14 2kbn s LEU 94 Cb -0.23 -2.05 1.44 0.00 0.03 0.00 0.00 46.19 45.38 2kbn s LEU 94 CO 0.30 0.26 1.98 -1.54 0.23 0.00 0.00 176.35 177.59 2kbn n SER 95 N 2.95 0.00 -4.32 2.29 3.41 -1.26 -4.63 113.62 112.06 2kbn n SER 95 Ca -0.18 -0.14 -0.35 0.00 -0.26 0.00 0.00 58.87 57.94 2kbn n SER 95 Cb 0.53 -0.28 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 2kbn n SER 95 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2kbn s GLU 96 N -2.55 3.40 0.58 4.33 2.56 -1.26 -5.11 118.70 120.65 2kbn s GLU 96 Ca 0.27 -0.62 -0.16 0.00 0.00 0.00 0.00 54.97 54.46 2kbn s GLU 96 Cb 0.19 -2.99 -0.04 0.00 2.00 0.00 0.00 34.13 33.29 2kbn s GLU 96 CO 0.43 -0.15 1.06 -1.25 -0.56 0.00 0.00 175.26 174.78 2kbn s PRO 97 N 1.37 3.36 -0.17 4.30 0.04 -1.26 -4.73 135.00 137.91 2kbn s PRO 97 Ca 0.04 1.22 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 2kbn s PRO 97 Cb -0.14 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2kbn s PRO 97 CO -0.02 -0.78 -0.03 0.42 0.04 0.00 0.00 177.00 176.63 2kbn s ILE 98 N -2.41 3.85 0.05 0.56 1.01 -1.26 -5.05 121.20 117.96 2kbn s ILE 98 Ca 0.64 -0.37 -0.23 0.00 0.00 0.00 0.00 60.65 60.69 2kbn s ILE 98 Cb -0.16 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 2kbn s ILE 98 CO 0.35 0.48 0.70 -1.61 0.00 0.00 0.00 174.94 174.86 2kbn s GLU 99 N 0.56 4.43 0.00 2.79 2.02 -1.26 -4.95 118.70 122.28 2kbn s GLU 99 Ca -0.03 0.95 0.14 0.00 0.02 0.00 0.00 54.97 56.05 2kbn s GLU 99 Cb -0.14 -3.33 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 2kbn s GLU 99 CO 0.03 0.39 0.76 1.33 0.02 0.00 0.00 175.26 177.79 2kbn n VAL 100 N 2.47 0.00 0.00 2.63 0.24 -1.26 -4.63 118.33 117.78 2kbn n VAL 100 Ca -0.05 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2kbn n VAL 100 Cb 0.50 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 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 1.04 0.00 0.12 7.63 0.00 -1.26 -4.88 105.19 107.84 2kbn n GLY 101 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 0.65 -4.50 0.99 4.32 -1.26 -4.78 117.00 112.42 2kbn n LEU 102 Ca 0.00 -0.05 -0.30 0.00 -0.02 0.00 0.00 56.01 55.64 2kbn n LEU 102 Cb 0.00 -0.20 0.25 0.00 -1.62 0.00 0.00 43.42 41.85 2kbn n LEU 102 CO 0.00 0.13 0.55 -1.83 -1.22 0.00 0.00 177.39 175.02 2kbn s GLU 103 N -2.67 -1.64 0.22 3.23 -1.05 -1.26 -4.91 118.70 110.63 2kbn s GLU 103 Ca 0.21 0.09 -0.08 0.00 -0.15 0.00 0.00 54.97 55.05 2kbn s GLU 103 Cb 0.19 -1.53 0.27 0.00 -0.44 0.00 0.00 34.13 32.62 2kbn s GLU 103 CO 0.56 -4.02 1.83 1.12 0.95 0.00 0.00 175.26 175.70 2kbn h HIS 104 N -2.81 0.84 -2.00 4.83 2.07 -2.05 -3.41 115.15 112.62 2kbn h HIS 104 Ca -0.46 0.03 0.01 0.00 -2.85 0.00 0.00 60.37 57.09 2kbn h HIS 104 Cb 1.31 -0.27 -0.23 0.00 2.57 0.00 0.00 27.41 30.79 2kbn h HIS 104 CO -2.15 0.42 -0.26 -1.01 -3.07 0.00 0.00 177.93 171.87 2kbn s HIS 105 N -6.08 -1.17 -1.53 6.12 3.76 -1.26 -5.00 115.29 110.12 2kbn s HIS 105 Ca -0.13 1.86 0.25 0.00 -0.15 0.00 0.00 55.06 56.90 2kbn s HIS 105 Cb 0.17 0.55 0.52 0.00 1.11 0.00 0.00 32.58 34.93 2kbn s HIS 105 CO 0.77 -0.65 1.42 1.58 -0.85 0.00 0.00 174.74 177.02 2kbn n HIS 106 N 5.42 0.00 -0.24 1.40 -0.00 -1.26 -4.09 115.22 116.44 2kbn n HIS 106 Ca -0.09 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.03 2kbn n HIS 106 Cb 0.50 -0.13 0.04 0.00 -0.12 0.00 0.00 29.99 30.28 2kbn n HIS 106 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kbn h HIS 107 N 0.94 0.95 -3.29 1.57 -0.00 -1.98 -3.41 115.15 109.92 2kbn h HIS 107 Ca 0.00 -0.04 -0.54 0.00 -0.00 0.00 0.00 60.37 59.79 2kbn h HIS 107 Cb 0.53 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 2kbn h HIS 107 CO 0.00 0.70 0.49 -1.58 -0.00 0.00 0.00 177.93 177.53 2kbn s HIS 108 N -5.76 3.52 0.00 5.26 5.65 -1.26 -5.31 115.29 117.39 2kbn s HIS 108 Ca -0.13 1.52 0.00 0.00 0.25 0.00 0.00 55.06 56.70 2kbn s HIS 108 Cb 0.14 -3.25 0.00 0.00 -1.18 0.00 0.00 32.58 28.29 2kbn s HIS 108 CO 0.79 -0.54 0.00 -2.39 -0.65 0.00 0.00 174.74 171.95