#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 1.08 -1.91 2.12 2.13 -1.26 -5.14 120.64 117.67 2kbn n GLU 2 Ca 0.00 -1.73 -0.39 0.00 0.66 0.00 0.00 57.16 55.70 2kbn n GLU 2 Cb 0.00 -0.16 0.01 0.00 0.27 0.00 0.00 31.44 31.56 2kbn n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2kbn s PRO 3 N 0.19 3.70 -0.99 5.31 0.04 -1.26 -4.92 135.00 137.06 2kbn s PRO 3 Ca 0.20 2.27 -0.21 0.00 0.04 0.00 0.00 61.00 63.30 2kbn s PRO 3 Cb 0.36 -2.61 0.09 0.00 0.04 0.00 0.00 34.50 32.38 2kbn s PRO 3 CO -0.08 -0.76 1.32 -0.65 0.04 0.00 0.00 177.00 176.87 2kbn s GLN 4 N -2.47 3.62 0.33 4.56 1.11 -1.26 -4.99 119.66 120.56 2kbn s GLN 4 Ca 0.61 -1.47 -0.27 0.00 0.01 0.00 0.00 55.36 54.24 2kbn s GLN 4 Cb -0.40 -5.16 -0.09 0.00 -1.01 0.00 0.00 33.01 26.34 2kbn s GLN 4 CO 0.51 -2.01 1.10 -0.51 0.01 0.00 0.00 175.29 174.40 2kbn s LEU 5 N 3.84 4.40 -0.09 2.90 2.01 -1.26 -1.42 118.68 129.06 2kbn s LEU 5 Ca 0.40 2.24 0.03 0.00 0.01 0.00 0.00 54.13 56.82 2kbn s LEU 5 Cb -0.02 -3.82 0.01 0.00 0.01 0.00 0.00 46.19 42.37 2kbn s LEU 5 CO -0.09 -0.32 -0.20 -0.89 1.01 0.00 0.00 176.35 175.87 2kbn s THR 6 N -1.32 1.77 0.50 5.49 2.01 -0.21 -4.90 115.64 118.99 2kbn s THR 6 Ca 0.50 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 2kbn s THR 6 Cb -0.30 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2kbn s THR 6 CO 0.38 0.49 0.84 -0.54 -0.69 0.00 0.00 174.62 175.11 2kbn s LYS 7 N 0.52 3.59 0.15 4.92 1.02 -1.26 -4.73 119.74 123.95 2kbn s LYS 7 Ca -0.16 0.36 -0.13 0.00 0.02 0.00 0.00 55.97 56.06 2kbn s LYS 7 Cb -0.17 -2.31 0.04 0.00 -0.52 0.00 0.00 37.83 34.87 2kbn s LYS 7 CO 0.06 -0.27 1.68 0.82 -0.92 0.00 0.00 175.35 176.72 2kbn h ILE 8 N 0.20 1.23 0.00 2.17 1.08 -1.95 -1.89 117.51 118.35 2kbn h ILE 8 Ca -0.46 -0.75 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 2kbn h ILE 8 Cb 1.20 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.71 2kbn h ILE 8 CO 0.62 0.28 -0.06 1.62 -0.69 0.00 0.00 178.15 179.91 2kbn h VAL 9 N 0.69 0.30 0.00 1.67 3.04 -1.94 -0.60 116.25 119.40 2kbn h VAL 9 Ca 0.16 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2kbn h VAL 9 Cb 0.26 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2kbn h VAL 9 CO -0.01 0.06 0.00 0.47 -1.01 0.00 0.00 177.57 177.09 2kbn n ASP 10 N -3.38 0.00 -4.65 3.17 8.00 -0.71 -4.68 116.55 114.30 2kbn n ASP 10 Ca -0.01 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 2kbn n ASP 10 Cb 0.22 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 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 -2.70 4.79 0.00 0.53 1.01 -0.24 -4.81 121.20 119.78 2kbn s ILE 11 Ca 0.18 1.74 0.00 0.00 0.00 0.00 0.00 60.65 62.57 2kbn s ILE 11 Cb 0.15 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2kbn s ILE 11 CO 0.36 -0.09 0.00 1.33 0.00 0.00 0.00 174.94 176.54 2kbn n VAL 12 N 5.16 0.00 -4.11 2.92 0.24 -1.26 -5.07 118.33 116.21 2kbn n VAL 12 Ca 0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.24 2kbn n VAL 12 Cb 0.47 -0.18 -0.11 0.00 -1.47 0.00 0.00 33.84 32.55 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 -1.11 0.65 0.75 7.34 2.02 -1.26 -5.15 118.70 121.94 2kbn s GLU 13 Ca 0.00 -0.93 -0.12 0.00 0.02 0.00 0.00 54.97 53.95 2kbn s GLU 13 Cb 0.00 -0.36 0.04 0.00 0.10 0.00 0.00 34.13 33.91 2kbn s GLU 13 CO 0.00 0.06 1.12 0.54 0.02 0.00 0.00 175.26 176.99 2kbn s ASN 14 N -1.96 5.03 -0.12 -0.19 2.20 -1.26 -4.75 114.94 113.88 2kbn s ASN 14 Ca -0.03 1.07 -0.02 0.00 -0.94 0.00 0.00 52.86 52.94 2kbn s ASN 14 Cb -0.06 -1.78 0.01 0.00 -2.00 0.00 0.00 41.25 37.41 2kbn s ASN 14 CO -0.00 -1.60 0.03 0.61 -2.94 0.00 0.00 177.10 173.20 2kbn n GLY 15 N -2.92 -3.66 3.64 0.45 0.00 0.62 -5.04 105.19 98.29 2kbn n GLY 15 Ca 0.07 0.24 -0.03 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.77 0.40 -0.12 1.61 0.74 -1.26 -4.92 119.66 115.34 2kbn s GLN 16 Ca -0.04 0.67 -0.14 0.00 0.05 0.00 0.00 55.36 55.91 2kbn s GLN 16 Cb 0.00 0.09 -0.05 0.00 1.10 0.00 0.00 33.01 34.16 2kbn s GLN 16 CO 0.36 -0.08 0.31 -1.58 -0.55 0.00 0.00 175.29 173.75 2kbn s TRP 17 N 1.25 3.54 0.01 1.67 0.52 -1.26 -2.42 118.94 122.26 2kbn s TRP 17 Ca -0.08 0.70 -0.28 0.00 0.02 0.00 0.00 56.10 56.46 2kbn s TRP 17 Cb -0.04 -2.30 0.10 0.00 -1.15 0.00 0.00 33.47 30.09 2kbn s TRP 17 CO -0.14 0.39 1.25 0.00 0.02 0.00 0.00 176.95 178.46 2kbn s ALA 18 N -0.06 -2.27 -0.01 0.98 0.00 -1.09 -4.98 121.76 114.33 2kbn s ALA 18 Ca 0.19 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 2kbn s ALA 18 Cb -0.14 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2kbn s ALA 18 CO 0.07 -1.11 0.09 -0.80 0.00 0.00 0.00 175.76 174.00 2kbn s ASN 19 N -3.50 5.75 -0.04 0.00 0.01 -0.51 -2.49 114.94 114.16 2kbn s ASN 19 Ca 0.24 0.18 -0.02 0.00 -0.71 0.00 0.00 52.86 52.55 2kbn s ASN 19 Cb 0.01 -1.68 0.03 0.00 0.41 0.00 0.00 41.25 40.02 2kbn s ASN 19 CO -0.01 0.28 0.09 -0.22 -1.51 0.00 0.00 177.10 175.73 2kbn s LEU 20 N -1.69 1.17 -0.01 0.60 0.20 -0.93 -1.04 118.68 116.99 2kbn s LEU 20 Ca 0.22 0.18 0.06 0.00 0.69 0.00 0.00 54.13 55.28 2kbn s LEU 20 Cb -0.12 0.21 -0.03 0.00 -0.43 0.00 0.00 46.19 45.82 2kbn s LEU 20 CO 0.13 -0.10 -0.20 -0.75 -0.29 0.00 0.00 176.35 175.14 2kbn s LYS 21 N 0.74 2.20 0.21 1.98 2.20 -1.26 -1.97 119.74 123.84 2kbn s LYS 21 Ca -0.06 -0.89 -0.13 0.00 -0.36 0.00 0.00 55.97 54.53 2kbn s LYS 21 Cb -0.08 -2.19 0.05 0.00 -1.51 0.00 0.00 37.83 34.10 2kbn s LYS 21 CO -0.03 0.57 0.66 0.00 -0.36 0.00 0.00 175.35 176.19 2kbn n ALA 22 N 2.08 -1.62 -2.65 3.13 0.00 -1.09 -4.99 120.51 115.38 2kbn n ALA 22 Ca -0.16 -0.83 -0.33 0.00 0.00 0.00 0.00 53.44 52.11 2kbn n ALA 22 Cb 0.52 0.58 -0.12 0.00 0.00 0.00 0.00 19.45 20.42 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 -2.05 2.84 -0.80 0.00 2.20 -1.07 -1.88 119.74 118.98 2kbn s LYS 23 Ca 0.14 -0.61 -0.24 0.00 -0.36 0.00 0.00 55.97 54.90 2kbn s LYS 23 Cb -0.03 -2.56 0.06 0.00 -1.51 0.00 0.00 37.83 33.79 2kbn s LYS 23 CO 0.06 0.55 1.20 0.08 -0.36 0.00 0.00 175.35 176.89 2kbn s VAL 24 N -0.51 4.06 0.10 4.02 1.01 -1.10 -0.55 120.40 127.43 2kbn s VAL 24 Ca 0.07 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 2kbn s VAL 24 Cb -0.12 -4.86 -0.05 0.00 0.00 0.00 0.00 36.38 31.34 2kbn s VAL 24 CO 0.02 -1.72 1.57 0.40 0.00 0.00 0.00 175.10 175.37 2kbn h ILE 25 N 6.15 1.24 -1.47 2.22 2.04 -1.91 -2.50 117.51 123.28 2kbn h ILE 25 Ca -0.13 -0.85 0.11 0.00 1.00 0.00 0.00 64.86 64.99 2kbn h ILE 25 Cb 1.04 1.20 -0.24 0.00 -0.74 0.00 0.00 36.82 38.08 2kbn h ILE 25 CO 1.26 0.28 0.61 0.00 0.00 0.00 0.00 178.15 180.30 2kbn s GLN 26 N -5.12 0.48 -0.05 2.37 -2.07 -1.25 -4.62 119.66 109.39 2kbn s GLN 26 Ca -0.13 0.18 -0.04 0.00 -1.82 0.00 0.00 55.36 53.54 2kbn s GLN 26 Cb 0.08 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 32.25 2kbn s GLN 26 CO 0.76 -0.14 0.14 -0.48 -1.32 0.00 0.00 175.29 174.25 2kbn s LEU 27 N -0.89 1.27 0.06 2.60 0.05 -1.26 -2.78 118.68 117.73 2kbn s LEU 27 Ca 0.01 0.28 0.08 0.00 0.05 0.00 0.00 54.13 54.55 2kbn s LEU 27 Cb -0.01 0.43 -0.03 0.00 -2.05 0.00 0.00 46.19 44.53 2kbn s LEU 27 CO -0.01 -0.08 -0.21 0.26 -0.55 0.00 0.00 176.35 175.76 2kbn s TRP 28 N 0.39 2.46 0.47 3.48 0.51 -0.62 -4.96 118.94 120.67 2kbn s TRP 28 Ca -0.03 -0.32 -0.24 0.00 -2.12 0.00 0.00 56.10 53.40 2kbn s TRP 28 Cb -0.04 -1.40 -0.07 0.00 -0.81 0.00 0.00 33.47 31.15 2kbn s TRP 28 CO -0.02 0.24 1.33 -1.83 -0.51 0.00 0.00 176.95 176.17 2kbn s GLU 29 N -1.54 3.58 0.75 4.98 1.03 -1.26 -2.17 118.70 124.07 2kbn s GLU 29 Ca 0.14 2.18 -0.03 0.00 0.03 0.00 0.00 54.97 57.30 2kbn s GLU 29 Cb -0.10 -2.50 0.14 0.00 -0.80 0.00 0.00 34.13 30.86 2kbn s GLU 29 CO 0.05 -0.82 1.04 0.54 -1.33 0.00 0.00 175.26 174.74 2kbn s ASN 30 N -0.86 4.17 0.00 0.83 6.03 -1.09 -4.81 114.94 119.21 2kbn s ASN 30 Ca 0.64 -0.30 0.06 0.00 -1.03 0.00 0.00 52.86 52.23 2kbn s ASN 30 Cb -0.39 -0.02 0.15 0.00 -3.03 0.00 0.00 41.25 37.96 2kbn s ASN 30 CO 0.48 -1.99 1.05 0.35 -2.03 0.00 0.00 177.10 174.96 2kbn n THR 31 N -2.96 0.78 -4.29 0.54 -2.24 -1.26 -4.99 114.28 99.86 2kbn n THR 31 Ca 0.15 -0.89 -0.35 0.00 -2.27 0.00 0.00 64.05 60.69 2kbn n THR 31 Cb 0.60 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 2kbn n THR 31 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2kbn s HIS 32 N -0.90 3.19 0.21 4.78 3.76 -1.26 -5.01 115.29 120.06 2kbn s HIS 32 Ca 0.12 0.15 -0.06 0.00 -0.15 0.00 0.00 55.06 55.12 2kbn s HIS 32 Cb 0.07 -1.86 0.16 0.00 1.11 0.00 0.00 32.58 32.06 2kbn s HIS 32 CO 0.09 0.39 1.65 1.49 -0.85 0.00 0.00 174.74 177.51 2kbn h GLU 33 N 5.52 0.88 -0.74 1.40 4.57 -1.98 -3.00 114.58 121.23 2kbn h GLU 33 Ca -0.47 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 57.38 2kbn h GLU 33 Cb 1.19 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 2kbn h GLU 33 CO 0.58 0.96 0.39 1.03 -1.18 0.00 0.00 179.01 180.78 2kbn h SER 34 N 0.79 0.94 -3.07 1.04 0.87 -1.99 -3.42 113.55 108.72 2kbn h SER 34 Ca 0.13 -0.11 -0.62 0.00 -1.23 0.00 0.00 61.79 59.96 2kbn h SER 34 Cb 0.64 -0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 62.27 2kbn h SER 34 CO 0.04 0.78 -0.43 -0.63 -0.53 0.00 0.00 176.83 176.07 2kbn s ILE 35 N -5.79 5.39 0.00 2.23 1.01 -1.13 -3.76 121.20 119.13 2kbn s ILE 35 Ca -0.13 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2kbn s ILE 35 Cb 0.15 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2kbn s ILE 35 CO 0.80 0.49 0.00 -1.20 0.00 0.00 0.00 174.94 175.03 2kbn n SER 36 N 2.96 0.00 -4.19 3.58 7.64 -0.20 -4.43 113.62 118.98 2kbn n SER 36 Ca -0.16 0.43 -0.15 0.00 1.01 0.00 0.00 58.87 60.00 2kbn n SER 36 Cb 0.53 -0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.92 0.88 0.00 1.43 -0.21 -1.25 -2.66 119.66 116.92 2kbn s GLN 37 Ca 0.00 -1.18 0.01 0.00 0.02 0.00 0.00 55.36 54.21 2kbn s GLN 37 Cb 0.00 -0.58 -0.00 0.00 1.00 0.00 0.00 33.01 33.43 2kbn s GLN 37 CO 0.00 0.09 -0.04 0.54 -2.12 0.00 0.00 175.29 173.76 2kbn s VAL 38 N -2.46 0.31 0.00 1.09 0.11 -0.92 -1.37 120.40 117.16 2kbn s VAL 38 Ca 0.06 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 2kbn s VAL 38 Cb -0.03 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 2kbn s VAL 38 CO 0.00 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 2kbn n GLY 39 N 2.83 2.40 3.09 6.54 0.00 -1.08 -1.58 105.19 117.39 2kbn n GLY 39 Ca -0.14 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 2.31 -0.05 0.99 0.05 -1.12 -2.00 118.68 118.86 2kbn s LEU 40 Ca 0.00 -0.64 0.04 0.00 0.05 0.00 0.00 54.13 53.58 2kbn s LEU 40 Cb 0.00 -0.17 -0.02 0.00 -2.05 0.00 0.00 46.19 43.95 2kbn s LEU 40 CO 0.00 -0.25 -0.16 -0.76 -0.55 0.00 0.00 176.35 174.64 2kbn s LEU 41 N -1.87 2.65 -0.17 1.48 1.43 -0.39 -3.39 118.68 118.41 2kbn s LEU 41 Ca -0.05 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 2kbn s LEU 41 Cb -0.07 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2kbn s LEU 41 CO -0.00 0.34 0.38 -0.83 0.23 0.00 0.00 176.35 176.47 2kbn s GLY 42 N -0.69 2.19 0.01 -3.19 0.00 0.28 -2.50 107.32 103.42 2kbn s GLY 42 Ca 0.11 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.44 2kbn s GLY 42 CO 0.00 0.70 -0.15 0.99 0.00 0.00 0.00 173.10 174.64 2kbn s ASP 43 N 0.79 1.80 0.33 1.64 1.01 0.85 -2.59 116.67 120.50 2kbn s ASP 43 Ca 0.20 -0.35 0.19 0.00 0.71 0.00 0.00 52.55 53.29 2kbn s ASP 43 Cb -0.14 -0.17 1.03 0.00 1.01 0.00 0.00 42.92 44.64 2kbn s ASP 43 CO 0.07 0.13 1.54 -0.62 0.21 0.00 0.00 175.17 176.50 2kbn n GLU 44 N 2.37 0.12 0.00 8.23 1.02 -1.26 0.31 120.64 131.43 2kbn n GLU 44 Ca -0.16 0.62 0.10 0.00 -0.02 0.00 0.00 57.16 57.70 2kbn n GLU 44 Cb 0.55 -2.03 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 2kbn n GLU 44 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2kbn n THR 45 N -2.20 0.00 -2.79 2.62 -2.24 -1.26 -5.07 114.28 103.34 2kbn n THR 45 Ca -0.01 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2kbn n THR 45 Cb 0.15 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.48 -0.49 3.14 3.38 0.00 0.15 -4.50 105.19 108.34 2kbn n GLY 46 Ca 0.06 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.78 1.47 0.03 -0.61 1.01 -1.26 -0.10 121.20 118.95 2kbn s ILE 47 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2kbn s ILE 47 Cb 0.00 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 2kbn s ILE 47 CO 0.00 0.42 -0.12 -0.51 0.00 0.00 0.00 174.94 174.73 2kbn s ILE 48 N 0.08 0.95 0.48 2.92 2.07 -1.04 -4.97 121.20 121.70 2kbn s ILE 48 Ca -0.05 -0.85 -0.10 0.00 -1.41 0.00 0.00 60.65 58.24 2kbn s ILE 48 Cb -0.12 -0.86 -0.05 0.00 0.13 0.00 0.00 42.46 41.55 2kbn s ILE 48 CO 0.03 0.02 0.86 -0.54 -1.91 0.00 0.00 174.94 173.39 2kbn s LYS 49 N -0.95 3.70 0.17 3.50 1.02 -1.26 -1.27 119.74 124.66 2kbn s LYS 49 Ca 0.01 0.52 -0.14 0.00 0.02 0.00 0.00 55.97 56.38 2kbn s LYS 49 Cb -0.07 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2kbn s LYS 49 CO 0.01 -0.22 0.41 -0.59 -0.92 0.00 0.00 175.35 174.03 2kbn s PHE 50 N -2.67 0.08 0.02 3.18 -0.71 -0.85 -2.49 117.98 114.54 2kbn s PHE 50 Ca 0.52 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.98 2kbn s PHE 50 Cb -0.10 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.88 2kbn s PHE 50 CO 0.39 -0.81 -0.04 -0.08 -1.34 0.00 0.00 175.22 173.35 2kbn s THR 51 N -3.90 0.19 -0.20 -4.49 -1.32 -1.08 -2.65 115.64 102.20 2kbn s THR 51 Ca 0.11 -0.84 -0.06 0.00 -1.21 0.00 0.00 61.69 59.69 2kbn s THR 51 Cb 0.01 -0.31 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 2kbn s THR 51 CO -0.03 -0.42 0.03 -0.63 -2.21 0.00 0.00 174.62 171.37 2kbn s ILE 52 N -1.28 4.31 0.04 5.08 -1.09 -0.47 -2.29 121.20 125.50 2kbn s ILE 52 Ca -0.13 -0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.06 2kbn s ILE 52 Cb -0.09 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.79 2kbn s ILE 52 CO -0.01 0.43 0.25 0.26 -1.23 0.00 0.00 174.94 174.65 2kbn s TRP 53 N 0.81 3.54 -0.80 3.97 0.52 -1.01 -1.03 118.94 124.94 2kbn s TRP 53 Ca 0.02 0.44 0.26 0.00 0.02 0.00 0.00 56.10 56.84 2kbn s TRP 53 Cb -0.14 -1.90 0.95 0.00 -1.15 0.00 0.00 33.47 31.23 2kbn s TRP 53 CO 0.02 0.58 1.81 1.63 0.02 0.00 0.00 176.95 181.01 2kbn n LYS 54 N 0.67 0.17 -0.26 4.98 5.02 -1.25 -3.59 118.16 123.90 2kbn n LYS 54 Ca -0.08 0.17 -0.06 0.00 -2.02 0.00 0.00 58.31 56.32 2kbn n LYS 54 Cb 0.52 -1.71 0.05 0.00 -0.02 0.00 0.00 35.03 33.88 2kbn n LYS 54 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2kbn h ASN 55 N 0.00 0.88 0.99 4.39 -0.73 -1.91 -1.27 115.58 117.93 2kbn h ASN 55 Ca 0.00 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.08 2kbn h ASN 55 Cb 0.62 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.98 2kbn h ASN 55 CO 0.00 0.72 0.00 0.00 -0.37 0.00 0.00 177.43 177.78 2kbn n ALA 56 N -2.34 2.05 -3.59 1.57 0.00 -1.24 -4.79 120.51 112.17 2kbn n ALA 56 Ca 0.06 -0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 2kbn n ALA 56 Cb 0.09 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.88 -1.31 -4.08 0.00 1.02 -0.48 -4.98 120.64 108.94 2kbn n GLU 57 Ca 0.05 0.66 -0.30 0.00 -0.02 0.00 0.00 57.16 57.55 2kbn n GLU 57 Cb 0.31 -4.18 -0.07 0.00 -0.02 0.00 0.00 31.44 27.49 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 -5.89 3.68 0.89 -4.62 1.43 -1.26 -5.12 118.68 107.80 2kbn s LEU 58 Ca 0.35 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 2kbn s LEU 58 Cb -0.12 -2.37 0.13 0.00 0.03 0.00 0.00 46.19 43.85 2kbn s LEU 58 CO 0.85 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 176.52 2kbn s PRO 59 N -2.45 1.27 0.37 1.29 0.04 -1.26 -4.99 135.00 129.27 2kbn s PRO 59 Ca 0.28 0.79 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 2kbn s PRO 59 Cb -0.12 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2kbn s PRO 59 CO 0.21 -2.22 1.33 -0.51 0.04 0.00 0.00 177.00 175.85 2kbn s LEU 60 N -6.20 4.33 0.22 -3.56 1.43 -1.26 -5.00 118.68 108.63 2kbn s LEU 60 Ca 0.63 2.72 -0.17 0.00 -1.03 0.00 0.00 54.13 56.29 2kbn s LEU 60 Cb -0.18 -3.76 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 2kbn s LEU 60 CO 0.57 -0.71 0.66 -0.76 0.23 0.00 0.00 176.35 176.34 2kbn s LEU 61 N -2.10 4.28 -0.22 1.79 1.02 -1.26 -5.06 118.68 117.14 2kbn s LEU 61 Ca 0.53 1.26 -0.12 0.00 0.02 0.00 0.00 54.13 55.82 2kbn s LEU 61 Cb -0.40 -3.58 -0.05 0.00 0.02 0.00 0.00 46.19 42.18 2kbn s LEU 61 CO 0.53 0.01 0.21 -0.70 0.02 0.00 0.00 176.35 176.41 2kbn s GLU 62 N -2.19 4.13 0.32 1.70 2.12 -1.26 -5.06 118.70 118.47 2kbn s GLU 62 Ca 0.44 -0.14 -0.29 0.00 0.36 0.00 0.00 54.97 55.34 2kbn s GLU 62 Cb -0.15 -3.50 -0.10 0.00 0.26 0.00 0.00 34.13 30.64 2kbn s GLU 62 CO 0.20 0.11 1.24 -1.14 -0.54 0.00 0.00 175.26 175.13 2kbn s GLN 63 N 0.89 4.40 0.00 4.30 -0.44 -1.26 -3.47 119.66 124.08 2kbn s GLN 63 Ca 0.11 2.07 0.00 0.00 -2.50 0.00 0.00 55.36 55.04 2kbn s GLN 63 Cb -0.13 -3.07 0.00 0.00 -1.64 0.00 0.00 33.01 28.17 2kbn s GLN 63 CO 0.04 -0.09 0.00 0.41 0.50 0.00 0.00 175.29 176.14 2kbn n GLY 64 N 0.89 0.75 3.06 2.59 0.00 -0.94 -5.07 105.19 106.47 2kbn n GLY 64 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.83 0.53 0.54 1.61 8.01 -1.23 -4.99 118.70 122.34 2kbn s GLU 65 Ca 0.00 -0.98 -0.14 0.00 0.01 0.00 0.00 54.97 53.86 2kbn s GLU 65 Cb 0.00 0.07 -0.06 0.00 -4.31 0.00 0.00 34.13 29.82 2kbn s GLU 65 CO 0.00 -0.06 0.98 -1.54 0.01 0.00 0.00 175.26 174.65 2kbn s SER 66 N -2.30 6.48 -0.04 -0.19 1.04 -1.26 -2.71 113.70 114.71 2kbn s SER 66 Ca -0.02 1.47 -0.08 0.00 0.48 0.00 0.00 55.95 57.80 2kbn s SER 66 Cb -0.00 -2.47 0.01 0.00 0.10 0.00 0.00 66.02 63.66 2kbn s SER 66 CO -0.05 -0.66 0.19 -0.31 0.98 0.00 0.00 173.24 173.39 2kbn s TYR 67 N -2.79 -0.13 -0.24 5.02 1.51 -0.79 -2.61 117.35 117.32 2kbn s TYR 67 Ca 0.57 0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 56.88 2kbn s TYR 67 Cb -0.10 0.04 0.00 0.00 -0.11 0.00 0.00 41.96 41.79 2kbn s TYR 67 CO 0.39 -0.20 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.44 2kbn s LEU 68 N -0.53 3.15 -0.21 -1.29 2.96 -0.67 -2.65 118.68 119.44 2kbn s LEU 68 Ca -0.06 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.21 2kbn s LEU 68 Cb -0.04 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2kbn s LEU 68 CO 0.01 -0.08 0.09 -0.76 -1.32 0.00 0.00 176.35 174.29 2kbn s LEU 69 N 1.45 3.79 -0.03 -0.68 1.02 -0.83 -2.08 118.68 121.32 2kbn s LEU 69 Ca 0.04 0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.26 2kbn s LEU 69 Cb -0.15 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 2kbn s LEU 69 CO -0.02 0.10 -0.17 -0.13 0.02 0.00 0.00 176.35 176.15 2kbn s ARG 70 N 0.80 2.36 -0.84 1.70 0.52 -0.93 -2.18 118.95 120.37 2kbn s ARG 70 Ca 0.04 -0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 2kbn s ARG 70 Cb -0.13 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 2kbn s ARG 70 CO 0.02 0.60 0.77 -1.13 0.02 0.00 0.00 175.30 175.58 2kbn n SER 71 N 2.21 -7.40 -4.57 0.23 3.41 -1.25 -2.53 113.62 103.72 2kbn n SER 71 Ca -0.17 -0.29 -0.24 0.00 -0.26 0.00 0.00 58.87 57.91 2kbn n SER 71 Cb 0.52 -5.24 -0.09 0.00 -0.26 0.00 0.00 64.21 59.14 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 -3.13 2.94 -0.09 -3.33 -7.23 -1.04 -3.76 120.40 104.76 2kbn s VAL 72 Ca 0.15 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 2kbn s VAL 72 Cb -0.02 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2kbn s VAL 72 CO 0.75 -0.36 -0.20 0.54 -0.31 0.00 0.00 175.10 175.52 2kbn s VAL 73 N -2.43 2.44 -0.45 1.32 0.11 -1.24 -2.67 120.40 117.49 2kbn s VAL 73 Ca 0.31 -0.91 -0.23 0.00 -2.93 0.00 0.00 61.98 58.22 2kbn s VAL 73 Cb -0.05 -1.95 0.02 0.00 -1.53 0.00 0.00 36.38 32.88 2kbn s VAL 73 CO 0.18 0.56 0.80 -0.69 -3.33 0.00 0.00 175.10 172.62 2kbn s VAL 74 N 0.03 4.64 0.69 2.04 1.01 -1.02 -1.84 120.40 125.95 2kbn s VAL 74 Ca -0.08 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 2kbn s VAL 74 Cb -0.15 -4.33 0.08 0.00 0.00 0.00 0.00 36.38 31.98 2kbn s VAL 74 CO 0.05 -0.71 0.97 -0.83 0.00 0.00 0.00 175.10 174.58 2kbn s GLY 75 N 2.13 1.75 -0.28 4.51 0.00 0.11 -0.28 107.32 115.26 2kbn s GLY 75 Ca 0.31 -1.21 -0.11 0.00 0.00 0.00 0.00 44.72 43.71 2kbn s GLY 75 CO 0.23 -0.77 0.18 1.85 0.00 0.00 0.00 173.10 174.59 2kbn s GLU 76 N -5.15 3.90 -0.35 2.90 2.12 -1.26 -2.64 118.70 118.22 2kbn s GLU 76 Ca 0.62 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.58 2kbn s GLU 76 Cb -0.09 -3.65 0.08 0.00 0.26 0.00 0.00 34.13 30.74 2kbn s GLU 76 CO 0.44 -0.20 0.08 -0.47 -0.54 0.00 0.00 175.26 174.57 2kbn s TYR 77 N 1.75 3.48 0.00 5.30 6.14 -0.74 -4.90 117.35 128.38 2kbn s TYR 77 Ca 0.07 -2.30 0.00 0.00 0.64 0.00 0.00 57.07 55.48 2kbn s TYR 77 Cb -0.16 -2.68 0.00 0.00 0.42 0.00 0.00 41.96 39.54 2kbn s TYR 77 CO 0.10 -0.90 0.00 0.09 0.64 0.00 0.00 175.55 175.49 2kbn n ASN 78 N 4.54 0.00 -0.16 4.32 3.02 -1.26 0.46 115.26 126.18 2kbn n ASN 78 Ca -0.06 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.61 2kbn n ASN 78 Cb 0.42 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.73 2kbn n ASN 78 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kbn n ASP 79 N 3.10 1.07 -4.86 6.41 5.75 -1.26 -4.94 116.55 121.82 2kbn n ASP 79 Ca 0.00 -0.86 -0.27 0.00 -0.01 0.00 0.00 54.79 53.65 2kbn n ASP 79 Cb 0.00 0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 2kbn n ASP 79 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2kbn s ARG 80 N -2.77 2.25 0.07 0.11 0.52 0.17 -5.14 118.95 114.17 2kbn s ARG 80 Ca 0.15 -2.07 0.05 0.00 -0.52 0.00 0.00 55.73 53.34 2kbn s ARG 80 Cb 0.18 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.63 2kbn s ARG 80 CO 0.67 -0.51 -0.02 -0.06 0.02 0.00 0.00 175.30 175.40 2kbn s PHE 81 N -2.77 2.95 0.05 -0.53 0.08 -1.26 -1.78 117.98 114.72 2kbn s PHE 81 Ca 0.29 -0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.32 2kbn s PHE 81 Cb -0.01 -1.55 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2kbn s PHE 81 CO 0.18 0.46 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.56 2kbn s GLN 82 N -2.10 0.54 -0.11 0.44 0.74 -1.08 -4.22 119.66 113.88 2kbn s GLN 82 Ca 0.23 -0.92 0.00 0.00 0.05 0.00 0.00 55.36 54.72 2kbn s GLN 82 Cb -0.11 -0.06 -0.02 0.00 1.10 0.00 0.00 33.01 33.91 2kbn s GLN 82 CO 0.15 -0.02 -0.12 0.14 -0.55 0.00 0.00 175.29 174.89 2kbn s VAL 83 N -2.36 3.19 -0.19 1.34 -7.23 -1.04 0.08 120.40 114.19 2kbn s VAL 83 Ca -0.04 -0.63 -0.06 0.00 -1.81 0.00 0.00 61.98 59.44 2kbn s VAL 83 Cb -0.03 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 2kbn s VAL 83 CO -0.03 0.54 0.02 -1.10 -0.31 0.00 0.00 175.10 174.22 2kbn s GLN 84 N 0.03 3.76 -0.65 4.82 -0.21 -0.76 -2.62 119.66 124.03 2kbn s GLN 84 Ca -0.04 -0.46 -0.18 0.00 0.02 0.00 0.00 55.36 54.70 2kbn s GLN 84 Cb -0.14 -3.10 0.12 0.00 1.00 0.00 0.00 33.01 30.88 2kbn s GLN 84 CO 0.04 0.15 0.75 0.08 -2.12 0.00 0.00 175.29 174.18 2kbn s VAL 85 N 0.67 4.89 0.34 1.09 1.01 -0.97 -3.62 120.40 123.81 2kbn s VAL 85 Ca 0.01 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 2kbn s VAL 85 Cb -0.14 -4.52 0.01 0.00 0.00 0.00 0.00 36.38 31.74 2kbn s VAL 85 CO 0.02 -1.15 0.55 0.54 0.00 0.00 0.00 175.10 175.06 2kbn s ASN 86 N 3.50 0.61 0.94 3.32 6.03 -1.26 -2.40 114.94 125.68 2kbn s ASN 86 Ca 0.14 -1.35 0.00 0.00 -1.03 0.00 0.00 52.86 50.62 2kbn s ASN 86 Cb -0.21 0.70 0.00 0.00 -3.03 0.00 0.00 41.25 38.71 2kbn s ASN 86 CO 0.03 -1.37 0.00 0.29 -2.03 0.00 0.00 177.10 174.02 2kbn n LYS 87 N -0.54 0.00 0.00 3.55 4.76 -1.26 -1.48 118.16 123.19 2kbn n LYS 87 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2kbn n LYS 87 Cb 0.61 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.82 2kbn n LYS 87 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2kbn n ASN 88 N 0.68 0.00 -4.72 4.39 5.15 -1.26 -4.57 115.26 114.92 2kbn n ASN 88 Ca 0.00 -0.63 -0.40 0.00 -0.60 0.00 0.00 54.58 52.95 2kbn n ASN 88 Cb 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.27 2kbn n ASN 88 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2kbn n SER 89 N -0.52 2.74 -4.01 1.20 3.41 -0.55 -4.80 113.62 111.09 2kbn n SER 89 Ca 0.00 1.07 -0.08 0.00 -0.26 0.00 0.00 58.87 59.61 2kbn n SER 89 Cb 0.00 -1.54 -0.10 0.00 -0.26 0.00 0.00 64.21 62.31 2kbn n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2kbn s SER 90 N -0.61 0.34 -0.03 4.04 1.04 -1.05 -4.86 113.70 112.57 2kbn s SER 90 Ca 0.64 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 56.34 2kbn s SER 90 Cb -0.47 0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.85 2kbn s SER 90 CO 0.56 -0.51 -0.08 -0.63 0.98 0.00 0.00 173.24 173.55 2kbn s ILE 91 N -3.02 0.74 -0.03 -1.02 1.01 -1.26 -2.19 121.20 115.43 2kbn s ILE 91 Ca -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.36 2kbn s ILE 91 Cb 0.01 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 2kbn s ILE 91 CO -0.07 0.24 -0.17 -0.70 0.00 0.00 0.00 174.94 174.25 2kbn s GLU 92 N 0.34 1.62 -0.03 2.79 2.12 -0.88 -4.94 118.70 119.72 2kbn s GLU 92 Ca -0.05 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 2kbn s GLU 92 Cb -0.10 -1.46 -0.03 0.00 0.26 0.00 0.00 34.13 32.81 2kbn s GLU 92 CO 0.01 0.28 0.98 0.21 -0.54 0.00 0.00 175.26 176.20 2kbn s LYS 93 N -0.10 4.53 -0.14 4.30 2.20 -1.26 -1.67 119.74 127.60 2kbn s LYS 93 Ca -0.00 1.40 -0.05 0.00 -0.36 0.00 0.00 55.97 56.96 2kbn s LYS 93 Cb -0.10 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2kbn s LYS 93 CO 0.01 -0.11 0.03 -0.51 -0.36 0.00 0.00 175.35 174.42 2kbn s LEU 94 N 1.24 3.71 0.00 5.43 1.02 -1.07 -4.97 118.68 124.04 2kbn s LEU 94 Ca 0.51 0.12 0.13 0.00 0.02 0.00 0.00 54.13 54.90 2kbn s LEU 94 Cb -0.20 -1.90 0.42 0.00 0.02 0.00 0.00 46.19 44.53 2kbn s LEU 94 CO 0.25 0.27 1.32 -1.54 0.02 0.00 0.00 176.35 176.68 2kbn n SER 95 N 2.87 1.66 -4.00 2.29 3.41 -1.26 -4.15 113.62 114.43 2kbn n SER 95 Ca -0.18 -1.92 -0.32 0.00 -0.26 0.00 0.00 58.87 56.20 2kbn n SER 95 Cb 0.53 -0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 2kbn n SER 95 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2kbn s GLU 96 N -1.63 2.16 0.55 4.33 2.02 -1.26 -5.08 118.70 119.78 2kbn s GLU 96 Ca 0.24 -2.58 -0.20 0.00 0.02 0.00 0.00 54.97 52.45 2kbn s GLU 96 Cb 0.13 -3.45 -0.06 0.00 0.10 0.00 0.00 34.13 30.84 2kbn s GLU 96 CO 0.18 -1.13 1.07 -2.30 0.02 0.00 0.00 175.26 173.10 2kbn n PRO 97 N 3.25 1.19 -0.01 0.39 -0.02 -1.26 -4.86 135.00 133.68 2kbn n PRO 97 Ca 0.06 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 2kbn n PRO 97 Cb 0.34 -2.24 0.72 0.00 -0.02 0.00 0.00 33.50 32.31 2kbn n PRO 97 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2kbn n ILE 98 N -1.29 0.01 -3.14 4.25 5.41 -1.26 -4.97 119.36 118.37 2kbn n ILE 98 Ca 0.12 -0.11 -0.08 0.00 1.00 0.00 0.00 62.75 63.68 2kbn n ILE 98 Cb 0.45 -0.07 0.01 0.00 -0.71 0.00 0.00 39.64 39.32 2kbn n ILE 98 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kbn n GLU 99 N -0.47 -1.33 -1.49 0.38 1.02 -1.26 -4.83 120.64 112.65 2kbn n GLU 99 Ca 0.21 1.36 -0.36 0.00 -0.02 0.00 0.00 57.16 58.35 2kbn n GLU 99 Cb 0.21 -2.31 0.07 0.00 -0.02 0.00 0.00 31.44 29.39 2kbn n GLU 99 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2kbn n VAL 100 N 0.80 3.62 0.00 2.62 0.24 -1.26 -4.40 118.33 119.96 2kbn n VAL 100 Ca -0.01 -3.31 0.00 0.00 -2.04 0.00 0.00 64.34 58.99 2kbn n VAL 100 Cb 0.44 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 2kbn n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kbn n GLY 101 N -0.81 0.17 0.17 7.63 0.00 -1.26 -4.96 105.19 106.13 2kbn n GLY 101 Ca 0.60 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.75 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 0.52 0.00 0.99 4.32 -1.26 -3.42 117.00 118.15 2kbn n LEU 102 Ca 0.00 -0.19 0.10 0.00 -0.02 0.00 0.00 56.01 55.89 2kbn n LEU 102 Cb 0.00 -0.02 0.52 0.00 -1.62 0.00 0.00 43.42 42.31 2kbn n LEU 102 CO 0.00 0.10 0.80 -0.62 -1.22 0.00 0.00 177.39 176.45 2kbn n GLU 103 N -0.53 0.37 -0.19 3.23 1.02 -1.26 -3.13 120.64 120.14 2kbn n GLU 103 Ca 0.19 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.31 2kbn n GLU 103 Cb 0.17 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.11 2kbn n GLU 103 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2kbn h HIS 104 N 0.00 1.04 -3.12 -0.32 2.76 -1.97 -3.38 115.15 110.14 2kbn h HIS 104 Ca 0.00 -0.17 -0.69 0.00 -2.20 0.00 0.00 60.37 57.30 2kbn h HIS 104 Cb 0.14 -0.27 -0.19 0.00 1.55 0.00 0.00 27.41 28.64 2kbn h HIS 104 CO 0.00 0.94 0.06 -1.01 -1.30 0.00 0.00 177.93 176.62 2kbn s HIS 105 N -5.05 3.04 0.00 5.26 3.76 -1.19 -4.59 115.29 116.53 2kbn s HIS 105 Ca -0.12 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2kbn s HIS 105 Cb 0.12 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 30.11 2kbn s HIS 105 CO 0.83 -1.12 0.00 -2.39 -0.85 0.00 0.00 174.74 171.21 2kbn n HIS 106 N 6.20 0.00 -0.18 1.40 -0.00 -1.26 -4.92 115.22 116.46 2kbn n HIS 106 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.54 2kbn n HIS 106 Cb 0.44 0.03 0.02 0.00 -0.00 0.00 0.00 29.99 30.48 2kbn n HIS 106 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kbn h HIS 107 N 0.00 1.15 -3.46 -1.40 3.86 -1.92 -3.42 115.15 109.97 2kbn h HIS 107 Ca 0.00 -0.24 -0.53 0.00 -1.16 0.00 0.00 60.37 58.44 2kbn h HIS 107 Cb 0.37 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 2kbn h HIS 107 CO 0.00 1.06 0.41 -1.01 0.86 0.00 0.00 177.93 179.26 2kbn s HIS 108 N -4.84 3.67 0.00 2.45 3.76 -1.26 -5.31 115.29 113.75 2kbn s HIS 108 Ca -0.11 1.66 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 2kbn s HIS 108 Cb 0.13 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.65 2kbn s HIS 108 CO 0.86 -0.23 0.00 -2.39 -0.85 0.00 0.00 174.74 172.14