#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 -1.74 -2.32 0.03 1.02 -1.26 -4.91 120.64 111.46 2kbn n GLU 2 Ca 0.00 0.41 -0.35 0.00 -0.02 0.00 0.00 57.16 57.20 2kbn n GLU 2 Cb 0.00 -4.10 -0.01 0.00 -0.02 0.00 0.00 31.44 27.31 2kbn n GLU 2 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2kbn s PRO 3 N -6.26 3.57 -1.04 3.49 0.04 -1.26 -4.94 135.00 128.59 2kbn s PRO 3 Ca 0.35 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 2kbn s PRO 3 Cb -0.13 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2kbn s PRO 3 CO 0.88 -0.67 1.50 1.14 0.04 0.00 0.00 177.00 179.88 2kbn s GLN 4 N -3.09 3.59 0.35 4.56 -2.07 -1.26 -4.98 119.66 116.76 2kbn s GLN 4 Ca 0.69 -1.17 -0.26 0.00 -1.82 0.00 0.00 55.36 52.80 2kbn s GLN 4 Cb -0.24 -5.37 -0.09 0.00 -1.09 0.00 0.00 33.01 26.22 2kbn s GLN 4 CO 0.28 -2.26 1.06 -0.51 -1.32 0.00 0.00 175.29 172.54 2kbn s LEU 5 N 5.12 4.31 -0.03 2.60 1.43 -1.26 -2.37 118.68 128.47 2kbn s LEU 5 Ca 0.48 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.73 2kbn s LEU 5 Cb 0.00 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.26 2kbn s LEU 5 CO -0.08 -0.34 -0.10 -0.89 0.23 0.00 0.00 176.35 175.16 2kbn s THR 6 N -1.46 0.89 0.52 5.49 2.01 -0.75 -4.91 115.64 117.42 2kbn s THR 6 Ca 0.52 -0.43 -0.17 0.00 0.31 0.00 0.00 61.69 61.92 2kbn s THR 6 Cb -0.26 -0.78 -0.08 0.00 0.01 0.00 0.00 72.50 71.40 2kbn s THR 6 CO 0.33 0.27 1.00 -0.54 -0.69 0.00 0.00 174.62 174.99 2kbn s LYS 7 N 0.11 3.85 0.18 4.92 1.02 -1.26 -4.71 119.74 123.83 2kbn s LYS 7 Ca -0.02 1.06 -0.12 0.00 0.02 0.00 0.00 55.97 56.91 2kbn s LYS 7 Cb -0.08 -2.12 0.08 0.00 -0.52 0.00 0.00 37.83 35.19 2kbn s LYS 7 CO 0.01 -0.36 1.76 0.82 -0.92 0.00 0.00 175.35 176.66 2kbn h ILE 8 N 1.01 1.21 0.00 2.17 2.04 -1.96 -1.69 117.51 120.29 2kbn h ILE 8 Ca -0.47 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 2kbn h ILE 8 Cb 1.19 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2kbn h ILE 8 CO 0.60 0.24 -0.11 1.62 0.00 0.00 0.00 178.15 180.50 2kbn h VAL 9 N 0.82 0.91 -0.16 1.67 3.04 -1.93 -1.49 116.25 119.09 2kbn h VAL 9 Ca 0.21 -0.41 -0.09 0.00 -1.01 0.00 0.00 66.70 65.40 2kbn h VAL 9 Cb 0.11 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 2kbn h VAL 9 CO -0.03 0.11 -0.31 -0.78 -1.01 0.00 0.00 177.57 175.55 2kbn h ASP 10 N 0.00 0.32 -2.69 3.17 1.82 -1.69 -3.42 116.42 113.93 2kbn h ASP 10 Ca -0.00 -0.11 -0.55 0.00 -0.39 0.00 0.00 57.03 55.97 2kbn h ASP 10 Cb 0.22 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 2kbn h ASP 10 CO 0.01 0.63 1.03 -0.63 -1.61 0.00 0.00 179.24 178.67 2kbn s ILE 11 N -4.36 3.71 0.00 2.25 1.01 -0.56 -4.76 121.20 118.49 2kbn s ILE 11 Ca -0.05 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.49 2kbn s ILE 11 Cb 0.14 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2kbn s ILE 11 CO 0.77 -0.07 0.27 1.33 0.00 0.00 0.00 174.94 177.24 2kbn n VAL 12 N 5.37 0.00 -4.27 2.92 0.24 -1.26 -5.02 118.33 116.31 2kbn n VAL 12 Ca 0.16 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.29 2kbn n VAL 12 Cb 0.43 0.60 -0.15 0.00 -1.47 0.00 0.00 33.84 33.25 2kbn n VAL 12 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kbn s GLU 13 N 0.00 0.59 0.42 7.34 2.12 -1.26 -5.14 118.70 122.76 2kbn s GLU 13 Ca 0.00 -0.25 -0.17 0.00 0.36 0.00 0.00 54.97 54.91 2kbn s GLU 13 Cb 0.00 -0.58 -0.09 0.00 0.26 0.00 0.00 34.13 33.72 2kbn s GLU 13 CO 0.00 0.15 0.87 0.54 -0.54 0.00 0.00 175.26 176.28 2kbn s ASN 14 N -0.13 6.76 0.00 -1.70 2.20 -1.26 -3.54 114.94 117.28 2kbn s ASN 14 Ca 0.02 1.47 0.00 0.00 -0.94 0.00 0.00 52.86 53.41 2kbn s ASN 14 Cb -0.03 -2.46 0.00 0.00 -2.00 0.00 0.00 41.25 36.76 2kbn s ASN 14 CO -0.00 -0.37 0.00 0.61 -2.94 0.00 0.00 177.10 174.39 2kbn n GLY 15 N -0.87 0.72 3.71 0.45 0.00 -0.14 -4.96 105.19 104.10 2kbn n GLY 15 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 4.38 -0.14 1.61 0.74 -1.23 -4.70 119.66 120.22 2kbn s GLN 16 Ca 0.00 1.87 -0.08 0.00 0.05 0.00 0.00 55.36 57.20 2kbn s GLN 16 Cb 0.00 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 2kbn s GLN 16 CO 0.00 -0.36 0.14 -1.58 -0.55 0.00 0.00 175.29 172.94 2kbn s TRP 17 N 1.30 3.55 0.00 1.67 0.52 -1.26 -2.47 118.94 122.25 2kbn s TRP 17 Ca 0.61 0.48 0.00 0.00 0.02 0.00 0.00 56.10 57.21 2kbn s TRP 17 Cb -0.31 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 30.01 2kbn s TRP 17 CO 0.29 0.63 0.00 0.00 0.02 0.00 0.00 176.95 177.88 2kbn n ALA 18 N 2.36 0.00 -2.83 0.98 0.00 -1.09 -4.98 120.51 114.95 2kbn n ALA 18 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 2kbn n ALA 18 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 2kbn n ALA 18 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kbn s ASN 19 N 0.00 5.99 -0.01 0.00 0.01 -1.00 -2.63 114.94 117.30 2kbn s ASN 19 Ca 0.00 0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.40 2kbn s ASN 19 Cb 0.00 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.87 2kbn s ASN 19 CO 0.00 0.28 0.01 -0.22 -1.51 0.00 0.00 177.10 175.65 2kbn s LEU 20 N -1.76 1.55 -0.07 0.60 2.96 -0.31 -1.81 118.68 119.82 2kbn s LEU 20 Ca 0.24 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2kbn s LEU 20 Cb -0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 2kbn s LEU 20 CO 0.15 -0.06 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.24 2kbn s LYS 21 N 0.53 2.73 0.29 1.98 2.20 -1.26 -0.95 119.74 125.26 2kbn s LYS 21 Ca -0.05 -0.69 -0.20 0.00 -0.36 0.00 0.00 55.97 54.68 2kbn s LYS 21 Cb -0.07 -2.45 0.02 0.00 -1.51 0.00 0.00 37.83 33.82 2kbn s LYS 21 CO -0.01 0.52 0.72 0.00 -0.36 0.00 0.00 175.35 176.22 2kbn s ALA 22 N -0.47 -1.16 -0.02 3.13 0.00 -1.11 -4.96 121.76 117.18 2kbn s ALA 22 Ca 0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 2kbn s ALA 22 Cb -0.12 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 2kbn s ALA 22 CO 0.02 -1.03 0.06 0.21 0.00 0.00 0.00 175.76 175.02 2kbn s LYS 23 N -3.77 3.02 -0.24 0.00 2.20 -0.44 -2.37 119.74 118.14 2kbn s LYS 23 Ca 0.12 -0.49 -0.26 0.00 -0.36 0.00 0.00 55.97 54.98 2kbn s LYS 23 Cb -0.06 -2.83 -0.00 0.00 -1.51 0.00 0.00 37.83 33.43 2kbn s LYS 23 CO 0.07 0.65 0.90 0.08 -0.36 0.00 0.00 175.35 176.70 2kbn s VAL 24 N -1.14 4.78 -0.06 4.02 1.01 -1.10 -0.46 120.40 127.46 2kbn s VAL 24 Ca 0.21 1.72 -0.05 0.00 0.00 0.00 0.00 61.98 63.86 2kbn s VAL 24 Cb -0.12 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2kbn s VAL 24 CO 0.12 -0.11 -0.10 -0.38 0.00 0.00 0.00 175.10 174.63 2kbn n ILE 25 N 5.27 0.51 -3.81 2.22 5.41 -1.20 -2.47 119.36 125.29 2kbn n ILE 25 Ca 0.08 0.38 -0.12 0.00 1.00 0.00 0.00 62.75 64.09 2kbn n ILE 25 Cb 0.47 -1.80 -0.11 0.00 -0.71 0.00 0.00 39.64 37.49 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 -1.59 0.34 -0.04 0.38 -0.21 -1.25 -4.72 119.66 112.58 2kbn s GLN 26 Ca -0.08 0.11 0.05 0.00 0.02 0.00 0.00 55.36 55.46 2kbn s GLN 26 Cb 0.01 0.15 -0.01 0.00 1.00 0.00 0.00 33.01 34.17 2kbn s GLN 26 CO 0.13 -0.06 -0.18 -0.48 -2.12 0.00 0.00 175.29 172.57 2kbn s LEU 27 N -0.32 1.97 -0.12 2.90 2.34 -1.26 -2.67 118.68 121.51 2kbn s LEU 27 Ca -0.04 -0.36 -0.01 0.00 0.06 0.00 0.00 54.13 53.77 2kbn s LEU 27 Cb -0.03 -1.01 -0.02 0.00 -0.56 0.00 0.00 46.19 44.56 2kbn s LEU 27 CO 0.01 0.19 -0.09 0.26 -1.06 0.00 0.00 176.35 175.66 2kbn s TRP 28 N -0.12 2.90 0.20 3.48 0.52 0.88 -4.98 118.94 121.82 2kbn s TRP 28 Ca -0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 56.10 55.48 2kbn s TRP 28 Cb -0.10 -1.84 -0.08 0.00 -1.15 0.00 0.00 33.47 30.30 2kbn s TRP 28 CO 0.01 0.00 1.22 -1.21 0.02 0.00 0.00 176.95 177.00 2kbn s GLU 29 N 0.01 4.47 -0.15 4.98 0.41 -1.26 -2.09 118.70 125.07 2kbn s GLU 29 Ca -0.02 1.92 -0.07 0.00 -0.41 0.00 0.00 54.97 56.40 2kbn s GLU 29 Cb -0.14 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 28.95 2kbn s GLU 29 CO 0.03 -0.11 0.09 1.21 -0.49 0.00 0.00 175.26 175.99 2kbn s ASN 30 N 0.10 5.88 0.00 -0.19 3.84 -1.01 -4.92 114.94 118.64 2kbn s ASN 30 Ca 0.53 0.23 0.23 0.00 0.21 0.00 0.00 52.86 54.06 2kbn s ASN 30 Cb -0.34 -1.93 1.04 0.00 -0.55 0.00 0.00 41.25 39.47 2kbn s ASN 30 CO 0.38 0.28 1.71 1.07 -2.79 0.00 0.00 177.10 177.75 2kbn n THR 31 N 2.85 0.09 -2.75 -5.21 5.66 -1.26 -4.83 114.28 108.82 2kbn n THR 31 Ca -0.18 -0.20 -0.40 0.00 -3.05 0.00 0.00 64.05 60.22 2kbn n THR 31 Cb 0.53 0.13 -0.06 0.00 -1.55 0.00 0.00 70.33 69.39 2kbn n THR 31 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2kbn s HIS 32 N -1.91 3.97 0.19 1.09 5.04 -1.26 -4.95 115.29 117.45 2kbn s HIS 32 Ca 0.34 1.90 -0.08 0.00 -1.54 0.00 0.00 55.06 55.69 2kbn s HIS 32 Cb 0.18 -2.99 0.10 0.00 0.04 0.00 0.00 32.58 29.90 2kbn s HIS 32 CO 0.28 0.43 1.63 0.93 -2.34 0.00 0.00 174.74 175.67 2kbn h GLU 33 N 4.34 1.00 0.21 2.88 5.08 -1.99 -3.31 114.58 122.78 2kbn h GLU 33 Ca -0.45 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 57.56 2kbn h GLU 33 Cb 1.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2kbn h GLU 33 CO 0.68 1.02 -0.10 0.66 -1.00 0.00 0.00 179.01 180.28 2kbn h SER 34 N 0.90 -0.24 -3.52 1.42 4.64 -1.98 -3.44 113.55 111.33 2kbn h SER 34 Ca 0.15 0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 60.96 2kbn h SER 34 Cb 0.62 0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2kbn h SER 34 CO 0.04 -0.09 0.52 -0.63 -0.87 0.00 0.00 176.83 175.80 2kbn s ILE 35 N -2.84 3.73 -0.11 0.95 1.01 -1.25 -4.03 121.20 118.66 2kbn s ILE 35 Ca -0.04 1.47 -0.08 0.00 0.00 0.00 0.00 60.65 61.99 2kbn s ILE 35 Cb 0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2kbn s ILE 35 CO 0.12 0.24 -0.16 -0.24 0.00 0.00 0.00 174.94 174.90 2kbn n SER 36 N 2.47 1.41 -4.10 3.58 2.88 -1.00 -4.24 113.62 114.61 2kbn n SER 36 Ca 0.04 0.49 -0.11 0.00 -1.33 0.00 0.00 58.87 57.96 2kbn n SER 36 Cb 0.45 -0.77 -0.11 0.00 -0.75 0.00 0.00 64.21 63.04 2kbn n SER 36 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2kbn s GLN 37 N -2.06 0.65 -0.03 -1.46 -0.21 -1.25 -2.42 119.66 112.88 2kbn s GLN 37 Ca -0.14 -1.05 -0.04 0.00 0.02 0.00 0.00 55.36 54.16 2kbn s GLN 37 Cb 0.02 -0.15 0.01 0.00 1.00 0.00 0.00 33.01 33.89 2kbn s GLN 37 CO 0.20 -0.01 0.10 0.54 -2.12 0.00 0.00 175.29 174.00 2kbn s VAL 38 N -2.67 0.02 0.00 1.09 0.11 -0.89 -2.02 120.40 116.04 2kbn s VAL 38 Ca 0.01 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2kbn s VAL 38 Cb -0.01 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 2kbn s VAL 38 CO -0.03 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 2kbn n GLY 39 N 2.73 2.02 3.10 6.54 0.00 -1.10 -0.09 105.19 118.40 2kbn n GLY 39 Ca -0.14 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 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 2.22 -0.09 0.99 2.34 -1.09 -2.47 118.68 120.58 2kbn s LEU 40 Ca 0.00 -0.50 0.03 0.00 0.06 0.00 0.00 54.13 53.72 2kbn s LEU 40 Cb 0.00 -0.37 -0.01 0.00 -0.56 0.00 0.00 46.19 45.25 2kbn s LEU 40 CO 0.00 -0.09 -0.19 -0.76 -1.06 0.00 0.00 176.35 174.25 2kbn s LEU 41 N -1.37 2.38 0.69 1.48 1.43 -0.16 -3.27 118.68 119.86 2kbn s LEU 41 Ca -0.04 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2kbn s LEU 41 Cb -0.09 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.66 2kbn s LEU 41 CO 0.01 0.22 1.08 -0.83 0.23 0.00 0.00 176.35 177.05 2kbn s GLY 42 N 0.01 1.64 -0.20 -3.19 0.00 0.39 -2.02 107.32 103.94 2kbn s GLY 42 Ca -0.07 -0.22 -0.31 0.00 0.00 0.00 0.00 44.72 44.12 2kbn s GLY 42 CO 0.05 0.12 1.17 -0.35 0.00 0.00 0.00 173.10 174.09 2kbn s ASP 43 N -4.21 -0.19 0.54 1.64 2.15 0.01 -1.33 116.67 115.28 2kbn s ASP 43 Ca 0.58 0.15 0.36 0.00 0.43 0.00 0.00 52.55 54.07 2kbn s ASP 43 Cb -0.12 0.17 1.85 0.00 -0.30 0.00 0.00 42.92 44.53 2kbn s ASP 43 CO 0.53 -0.23 2.10 -0.08 -0.17 0.00 0.00 175.17 177.33 2kbn h GLU 44 N 2.20 0.00 -0.00 4.34 4.81 -1.94 0.40 114.58 124.38 2kbn h GLU 44 Ca -0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2kbn h GLU 44 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2kbn h GLU 44 CO 0.26 0.00 -0.48 0.25 -0.73 0.00 0.00 179.01 178.30 2kbn n THR 45 N -2.86 0.00 0.00 0.32 -2.24 -1.26 -5.05 114.28 103.19 2kbn n THR 45 Ca -0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2kbn n THR 45 Cb 0.13 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.44 0.64 3.24 3.38 0.00 0.13 -4.55 105.19 109.47 2kbn n GLY 46 Ca 0.08 -1.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 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 1.74 -0.01 -0.61 1.01 -1.26 -0.81 121.20 118.24 2kbn s ILE 47 Ca 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.75 2kbn s ILE 47 Cb 0.00 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2kbn s ILE 47 CO 0.00 0.49 -0.14 -0.51 0.00 0.00 0.00 174.94 174.78 2kbn s ILE 48 N -0.48 1.12 0.30 2.92 1.10 -0.86 -4.94 121.20 120.36 2kbn s ILE 48 Ca 0.08 -0.60 -0.17 0.00 -0.51 0.00 0.00 60.65 59.45 2kbn s ILE 48 Cb -0.09 -0.94 -0.09 0.00 0.15 0.00 0.00 42.46 41.49 2kbn s ILE 48 CO -0.01 0.32 0.74 -0.54 -2.11 0.00 0.00 174.94 173.35 2kbn s LYS 49 N -0.30 4.08 0.02 3.50 1.02 -1.26 -0.99 119.74 125.82 2kbn s LYS 49 Ca 0.05 0.75 -0.05 0.00 0.02 0.00 0.00 55.97 56.73 2kbn s LYS 49 Cb -0.06 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 2kbn s LYS 49 CO -0.00 0.22 0.08 -0.59 -0.92 0.00 0.00 175.35 174.14 2kbn s PHE 50 N -1.86 0.16 -0.04 3.18 -0.71 -1.03 -1.81 117.98 115.87 2kbn s PHE 50 Ca 0.51 -0.38 0.02 0.00 -1.04 0.00 0.00 56.93 56.04 2kbn s PHE 50 Cb -0.12 -0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.57 2kbn s PHE 50 CO 0.18 -0.30 -0.10 0.99 -1.34 0.00 0.00 175.22 174.65 2kbn s THR 51 N -1.95 0.90 -0.23 -4.49 2.01 -1.03 -2.71 115.64 108.14 2kbn s THR 51 Ca -0.11 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 2kbn s THR 51 Cb -0.05 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2kbn s THR 51 CO -0.02 0.28 0.29 -0.63 -0.69 0.00 0.00 174.62 173.86 2kbn s ILE 52 N 0.35 5.27 0.07 1.82 -1.09 -0.85 -2.47 121.20 124.29 2kbn s ILE 52 Ca -0.06 0.45 -0.20 0.00 -2.23 0.00 0.00 60.65 58.60 2kbn s ILE 52 Cb -0.11 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 2kbn s ILE 52 CO 0.01 0.28 0.59 0.26 -1.23 0.00 0.00 174.94 174.85 2kbn s TRP 53 N 1.33 3.80 0.33 3.97 0.52 -1.10 -2.37 118.94 125.42 2kbn s TRP 53 Ca 0.13 1.30 0.03 0.00 0.02 0.00 0.00 56.10 57.58 2kbn s TRP 53 Cb -0.14 -2.54 0.58 0.00 -1.15 0.00 0.00 33.47 30.21 2kbn s TRP 53 CO 0.07 0.54 1.89 0.87 0.02 0.00 0.00 176.95 180.34 2kbn h LYS 54 N 4.70 0.64 0.00 4.98 1.57 -1.90 -1.74 116.57 124.83 2kbn h LYS 54 Ca -0.49 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2kbn h LYS 54 Cb 1.21 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2kbn h LYS 54 CO 0.65 0.59 0.19 -2.95 -0.57 0.00 0.00 179.45 177.35 2kbn h ASN 55 N 0.62 0.00 -0.25 0.86 -1.07 -1.93 0.26 115.58 114.07 2kbn h ASN 55 Ca 0.14 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.36 2kbn h ASN 55 Cb 0.24 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.48 2kbn h ASN 55 CO -0.00 0.00 -0.40 0.00 0.07 0.00 0.00 177.43 177.10 2kbn h ALA 56 N 1.59 0.68 -6.14 4.14 0.00 -1.58 -3.37 119.26 114.58 2kbn h ALA 56 Ca 0.00 -0.45 -0.44 0.00 0.00 0.00 0.00 54.91 54.02 2kbn h ALA 56 Cb 0.38 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.08 2kbn h ALA 56 CO 0.00 0.67 -0.77 0.39 0.00 0.00 0.00 179.25 179.53 2kbn n GLU 57 N -4.04 -5.68 -4.13 0.00 -0.58 0.08 -4.34 120.64 101.94 2kbn n GLU 57 Ca -0.02 0.65 -0.28 0.00 -0.42 0.00 0.00 57.16 57.09 2kbn n GLU 57 Cb 0.54 -5.45 -0.07 0.00 -0.57 0.00 0.00 31.44 25.89 2kbn n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kbn s LEU 58 N -7.03 3.57 0.58 -4.62 1.43 -1.26 -5.09 118.68 106.26 2kbn s LEU 58 Ca 0.39 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 53.09 2kbn s LEU 58 Cb -0.19 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 2kbn s LEU 58 CO 0.81 0.11 0.87 -2.65 0.23 0.00 0.00 176.35 175.72 2kbn n PRO 59 N 0.03 0.84 -2.17 1.29 -0.02 -1.26 -4.93 135.00 128.79 2kbn n PRO 59 Ca -0.09 0.33 -0.38 0.00 -2.02 0.00 0.00 63.50 61.33 2kbn n PRO 59 Cb 0.54 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.30 4.15 0.34 2.45 1.43 -1.26 -4.99 118.68 119.50 2kbn s LEU 60 Ca 0.73 2.47 -0.26 0.00 -1.03 0.00 0.00 54.13 56.05 2kbn s LEU 60 Cb -0.43 -4.03 -0.10 0.00 0.03 0.00 0.00 46.19 41.66 2kbn s LEU 60 CO 0.49 -0.83 0.98 -0.76 0.23 0.00 0.00 176.35 176.47 2kbn s LEU 61 N -2.61 4.29 0.00 1.79 1.02 -1.26 -5.04 118.68 116.87 2kbn s LEU 61 Ca 0.59 1.92 -0.05 0.00 0.02 0.00 0.00 54.13 56.60 2kbn s LEU 61 Cb -0.34 -4.05 -0.04 0.00 0.02 0.00 0.00 46.19 41.78 2kbn s LEU 61 CO 0.42 -0.20 0.24 -0.70 0.02 0.00 0.00 176.35 176.13 2kbn s GLU 62 N -2.16 3.53 0.23 1.70 2.12 -1.26 -5.07 118.70 117.79 2kbn s GLU 62 Ca 0.52 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 55.40 2kbn s GLU 62 Cb -0.20 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.02 2kbn s GLU 62 CO 0.26 0.66 0.99 -1.14 -0.54 0.00 0.00 175.26 175.48 2kbn s GLN 63 N -1.81 4.78 0.00 4.30 0.74 -1.26 -3.45 119.66 122.96 2kbn s GLN 63 Ca 0.27 1.57 0.00 0.00 0.05 0.00 0.00 55.36 57.25 2kbn s GLN 63 Cb -0.13 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.71 2kbn s GLN 63 CO 0.17 0.40 0.00 0.41 -0.55 0.00 0.00 175.29 175.72 2kbn n GLY 64 N 1.52 0.62 3.25 2.59 0.00 -1.03 -5.03 105.19 107.09 2kbn n GLY 64 Ca -0.01 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.33 1.39 0.34 1.61 2.02 -1.22 -4.95 118.70 117.57 2kbn s GLU 65 Ca 0.00 -0.93 -0.12 0.00 0.02 0.00 0.00 54.97 53.95 2kbn s GLU 65 Cb 0.00 -1.50 -0.07 0.00 0.10 0.00 0.00 34.13 32.66 2kbn s GLU 65 CO 0.00 0.38 0.71 -1.54 0.02 0.00 0.00 175.26 174.84 2kbn s SER 66 N -1.14 6.62 0.01 -0.19 1.04 -1.26 -2.69 113.70 116.09 2kbn s SER 66 Ca 0.07 1.13 -0.07 0.00 0.48 0.00 0.00 55.95 57.56 2kbn s SER 66 Cb -0.09 -2.32 -0.00 0.00 0.10 0.00 0.00 66.02 63.72 2kbn s SER 66 CO 0.02 -0.27 0.13 -0.31 0.98 0.00 0.00 173.24 173.79 2kbn s TYR 67 N -2.14 0.07 -0.20 5.02 2.02 -1.00 -2.62 117.35 118.50 2kbn s TYR 67 Ca 0.51 -0.20 -0.05 0.00 -0.37 0.00 0.00 57.07 56.96 2kbn s TYR 67 Cb -0.10 -0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 2kbn s TYR 67 CO 0.25 -0.31 -0.00 -1.17 -1.57 0.00 0.00 175.55 172.75 2kbn s LEU 68 N -1.54 3.25 -0.16 -1.29 2.96 -0.85 -2.74 118.68 118.32 2kbn s LEU 68 Ca -0.13 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 2kbn s LEU 68 Cb -0.06 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2kbn s LEU 68 CO 0.00 0.06 0.05 -0.76 -1.32 0.00 0.00 176.35 174.38 2kbn s LEU 69 N 1.00 3.77 0.03 -0.68 1.43 -0.12 -2.50 118.68 121.61 2kbn s LEU 69 Ca 0.02 0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2kbn s LEU 69 Cb -0.14 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2kbn s LEU 69 CO 0.02 0.23 -0.17 -0.13 0.23 0.00 0.00 176.35 176.53 2kbn s ARG 70 N 0.04 1.15 -1.07 1.70 0.52 -1.03 -1.16 118.95 119.10 2kbn s ARG 70 Ca 0.05 -0.80 -0.08 0.00 -0.52 0.00 0.00 55.73 54.38 2kbn s ARG 70 Cb -0.12 -1.19 -0.06 0.00 0.52 0.00 0.00 34.95 34.10 2kbn s ARG 70 CO 0.01 0.30 0.90 0.45 0.02 0.00 0.00 175.30 176.98 2kbn n SER 71 N 1.98 -6.36 -4.56 0.23 2.88 -1.25 -2.01 113.62 104.53 2kbn n SER 71 Ca -0.17 -0.76 -0.24 0.00 -1.33 0.00 0.00 58.87 56.37 2kbn n SER 71 Cb 0.54 -4.93 -0.09 0.00 -0.75 0.00 0.00 64.21 58.98 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 -3.40 2.66 -0.04 2.46 -7.23 -1.08 -3.55 120.40 110.22 2kbn s VAL 72 Ca 0.45 -2.16 0.06 0.00 -1.81 0.00 0.00 61.98 58.52 2kbn s VAL 72 Cb -0.08 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 2kbn s VAL 72 CO 0.76 -0.30 -0.22 0.54 -0.31 0.00 0.00 175.10 175.57 2kbn s VAL 73 N -2.50 1.75 -0.04 1.32 0.11 -1.25 -2.67 120.40 117.12 2kbn s VAL 73 Ca 0.32 -0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 58.16 2kbn s VAL 73 Cb -0.03 -1.48 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 2kbn s VAL 73 CO 0.17 0.49 0.95 -0.69 -3.33 0.00 0.00 175.10 172.70 2kbn s VAL 74 N -0.23 4.87 0.39 2.04 1.01 -1.03 -1.69 120.40 125.75 2kbn s VAL 74 Ca 0.01 1.98 0.05 0.00 0.00 0.00 0.00 61.98 64.01 2kbn s VAL 74 Cb -0.11 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 2kbn s VAL 74 CO 0.02 0.13 0.55 -0.83 0.00 0.00 0.00 175.10 174.96 2kbn s GLY 75 N 1.02 1.66 -0.18 4.51 0.00 0.16 -0.97 107.32 113.51 2kbn s GLY 75 Ca 0.49 -1.40 -0.19 0.00 0.00 0.00 0.00 44.72 43.62 2kbn s GLY 75 CO 0.24 -1.27 0.56 -0.54 0.00 0.00 0.00 173.10 172.08 2kbn s GLU 76 N -4.32 4.23 -0.21 2.90 2.02 -1.26 -2.72 118.70 119.34 2kbn s GLU 76 Ca 0.48 0.50 -0.03 0.00 0.02 0.00 0.00 54.97 55.95 2kbn s GLU 76 Cb -0.10 -3.54 0.07 0.00 0.10 0.00 0.00 34.13 30.65 2kbn s GLU 76 CO 0.33 -0.13 0.05 -0.47 0.02 0.00 0.00 175.26 175.06 2kbn s TYR 77 N 1.55 1.08 0.00 1.61 5.04 -0.93 -4.92 117.35 120.78 2kbn s TYR 77 Ca 0.26 -0.96 0.00 0.00 -2.44 0.00 0.00 57.07 53.94 2kbn s TYR 77 Cb -0.16 -1.10 0.00 0.00 0.35 0.00 0.00 41.96 41.06 2kbn s TYR 77 CO 0.10 -0.65 0.00 0.09 -1.34 0.00 0.00 175.55 173.75 2kbn n ASN 78 N 5.03 0.00 -0.24 4.32 5.03 -1.26 0.14 115.26 128.28 2kbn n ASN 78 Ca -0.08 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.49 2kbn n ASN 78 Cb 0.46 0.00 0.29 0.00 -1.02 0.00 0.00 39.78 39.51 2kbn n ASN 78 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kbn n ASP 79 N 1.99 1.09 -2.75 6.41 8.00 -1.26 -4.93 116.55 125.11 2kbn n ASP 79 Ca 0.00 -0.90 -0.08 0.00 0.71 0.00 0.00 54.79 54.52 2kbn n ASP 79 Cb 0.00 0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 2kbn n ASP 79 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kbn n ARG 80 N -0.70 1.49 -4.24 -1.24 1.74 0.12 -5.16 116.66 108.67 2kbn n ARG 80 Ca 0.11 -0.98 -0.16 0.00 -0.77 0.00 0.00 57.85 56.05 2kbn n ARG 80 Cb 0.36 0.20 -0.11 0.00 -1.02 0.00 0.00 32.46 31.89 2kbn n ARG 80 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2kbn s PHE 81 N -1.16 1.32 0.13 -1.55 0.08 -1.26 -2.19 117.98 113.35 2kbn s PHE 81 Ca 0.04 -0.63 -0.01 0.00 0.12 0.00 0.00 56.93 56.44 2kbn s PHE 81 Cb -0.00 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 2kbn s PHE 81 CO 0.02 0.12 0.06 1.14 -0.10 0.00 0.00 175.22 176.46 2kbn s GLN 82 N -3.08 0.91 -0.16 0.44 -2.07 -1.10 -4.32 119.66 110.29 2kbn s GLN 82 Ca 0.12 -1.42 -0.06 0.00 -1.82 0.00 0.00 55.36 52.17 2kbn s GLN 82 Cb -0.02 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 2kbn s GLN 82 CO 0.02 -0.26 0.04 0.14 -1.32 0.00 0.00 175.29 173.92 2kbn s VAL 83 N -4.04 4.65 -0.20 3.63 -7.23 -0.75 0.39 120.40 116.85 2kbn s VAL 83 Ca 0.23 -0.09 -0.08 0.00 -1.81 0.00 0.00 61.98 60.23 2kbn s VAL 83 Cb 0.07 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 2kbn s VAL 83 CO 0.01 0.50 0.08 -1.10 -0.31 0.00 0.00 175.10 174.29 2kbn s GLN 84 N 0.04 4.00 -0.14 4.82 -0.21 -0.68 -2.45 119.66 125.04 2kbn s GLN 84 Ca 0.05 -0.33 -0.15 0.00 0.02 0.00 0.00 55.36 54.95 2kbn s GLN 84 Cb -0.12 -3.29 -0.05 0.00 1.00 0.00 0.00 33.01 30.55 2kbn s GLN 84 CO 0.01 0.22 0.36 0.08 -2.12 0.00 0.00 175.29 173.84 2kbn s VAL 85 N 0.54 5.25 0.37 1.09 1.01 -1.03 -3.89 120.40 123.74 2kbn s VAL 85 Ca 0.04 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.76 2kbn s VAL 85 Cb -0.12 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2kbn s VAL 85 CO 0.01 0.38 0.16 0.54 0.00 0.00 0.00 175.10 176.18 2kbn s ASN 86 N 0.43 2.30 0.36 3.32 2.20 -1.26 -2.70 114.94 119.59 2kbn s ASN 86 Ca 0.20 -1.65 0.04 0.00 -0.94 0.00 0.00 52.86 50.52 2kbn s ASN 86 Cb -0.14 0.46 0.71 0.00 -2.00 0.00 0.00 41.25 40.28 2kbn s ASN 86 CO 0.06 -0.93 1.99 0.07 -2.94 0.00 0.00 177.10 175.36 2kbn h LYS 87 N 1.96 0.76 -0.71 3.55 2.10 -1.76 -1.24 116.57 121.23 2kbn h LYS 87 Ca -0.34 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.24 2kbn h LYS 87 Cb 1.26 -0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 32.39 2kbn h LYS 87 CO 0.53 0.50 0.31 -0.91 -2.00 0.00 0.00 179.45 177.89 2kbn h ASN 88 N 0.78 0.93 -4.22 7.07 2.35 -1.92 -3.43 115.58 117.14 2kbn h ASN 88 Ca 0.26 -0.11 -0.50 0.00 -0.55 0.00 0.00 56.30 55.40 2kbn h ASN 88 Cb 0.08 -0.24 0.14 0.00 0.05 0.00 0.00 38.32 38.35 2kbn h ASN 88 CO -0.07 0.80 0.29 -0.94 -1.65 0.00 0.00 177.43 175.86 2kbn s SER 89 N -6.43 4.09 0.09 5.81 1.04 -0.47 -4.86 113.70 112.98 2kbn s SER 89 Ca -0.11 1.70 0.05 0.00 0.48 0.00 0.00 55.95 58.07 2kbn s SER 89 Cb 0.16 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.86 2kbn s SER 89 CO 0.81 -2.28 -0.14 -0.44 0.98 0.00 0.00 173.24 172.18 2kbn s SER 90 N -3.40 1.74 -0.06 7.02 0.01 -0.85 -4.80 113.70 113.36 2kbn s SER 90 Ca 0.62 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 57.21 2kbn s SER 90 Cb -0.17 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.01 2kbn s SER 90 CO 0.56 -0.12 -0.15 -0.63 0.41 0.00 0.00 173.24 173.31 2kbn s ILE 91 N -1.70 1.31 -0.02 1.44 1.01 -1.26 -2.46 121.20 119.52 2kbn s ILE 91 Ca 0.02 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2kbn s ILE 91 Cb -0.07 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 2kbn s ILE 91 CO 0.02 0.39 -0.14 -1.61 0.00 0.00 0.00 174.94 173.61 2kbn s GLU 92 N 0.41 1.27 0.01 2.79 0.41 -1.04 -4.96 118.70 117.59 2kbn s GLU 92 Ca -0.11 -0.48 -0.30 0.00 -0.41 0.00 0.00 54.97 53.67 2kbn s GLU 92 Cb -0.14 -1.17 -0.03 0.00 -1.78 0.00 0.00 34.13 31.00 2kbn s GLU 92 CO 0.04 0.23 1.02 0.21 -0.49 0.00 0.00 175.26 176.27 2kbn s LYS 93 N -0.08 4.53 -0.13 1.61 2.20 -1.26 -2.00 119.74 124.60 2kbn s LYS 93 Ca 0.01 1.49 -0.06 0.00 -0.36 0.00 0.00 55.97 57.04 2kbn s LYS 93 Cb -0.08 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2kbn s LYS 93 CO 0.00 -0.10 0.08 -0.51 -0.36 0.00 0.00 175.35 174.46 2kbn s LEU 94 N 1.07 3.97 0.00 5.43 1.43 -1.08 -4.96 118.68 124.54 2kbn s LEU 94 Ca 0.53 0.24 0.30 0.00 -1.03 0.00 0.00 54.13 54.17 2kbn s LEU 94 Cb -0.22 -1.97 1.43 0.00 0.03 0.00 0.00 46.19 45.46 2kbn s LEU 94 CO 0.28 0.32 1.99 -1.20 0.23 0.00 0.00 176.35 177.97 2kbn n SER 95 N 2.58 0.15 -4.27 2.29 7.64 -1.26 -4.51 113.62 116.23 2kbn n SER 95 Ca -0.18 -0.29 -0.35 0.00 1.01 0.00 0.00 58.87 59.06 2kbn n SER 95 Cb 0.54 -0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 63.39 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 -2.54 3.16 0.76 1.43 -1.05 -1.26 -5.10 118.70 114.11 2kbn s GLU 96 Ca 0.29 -0.77 -0.11 0.00 -0.15 0.00 0.00 54.97 54.22 2kbn s GLU 96 Cb 0.20 -3.02 0.05 0.00 -0.44 0.00 0.00 34.13 30.92 2kbn s GLU 96 CO 0.47 -0.29 1.09 -1.25 0.95 0.00 0.00 175.26 176.23 2kbn s PRO 97 N 1.42 2.36 -0.17 -4.83 0.04 -1.26 -4.76 135.00 127.80 2kbn s PRO 97 Ca 0.04 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 61.62 2kbn s PRO 97 Cb -0.15 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2kbn s PRO 97 CO -0.04 -1.45 0.46 0.42 0.04 0.00 0.00 177.00 176.44 2kbn s ILE 98 N -3.13 5.17 -0.27 0.56 -1.09 -1.26 -5.04 121.20 116.14 2kbn s ILE 98 Ca 0.60 0.87 -0.25 0.00 -2.23 0.00 0.00 60.65 59.64 2kbn s ILE 98 Cb -0.14 -3.79 -0.00 0.00 -1.58 0.00 0.00 42.46 36.95 2kbn s ILE 98 CO 0.54 0.26 0.84 -1.61 -1.23 0.00 0.00 174.94 173.74 2kbn s GLU 99 N 1.12 4.10 0.00 2.79 8.01 -1.26 -4.88 118.70 128.59 2kbn s GLU 99 Ca 0.23 0.84 0.14 0.00 0.01 0.00 0.00 54.97 56.19 2kbn s GLU 99 Cb -0.15 -3.68 0.05 0.00 -4.31 0.00 0.00 34.13 26.04 2kbn s GLU 99 CO 0.09 -0.60 0.85 1.33 0.01 0.00 0.00 175.26 176.94 2kbn n VAL 100 N 5.39 0.00 0.00 2.63 0.24 -1.26 -4.53 118.33 120.80 2kbn n VAL 100 Ca 0.06 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2kbn n VAL 100 Cb 0.48 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 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 0.95 4.40 0.43 7.63 0.00 -1.26 -4.95 105.19 112.39 2kbn n GLY 101 Ca 0.07 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 1.37 0.00 0.99 7.99 -1.26 -4.88 117.00 121.21 2kbn n LEU 102 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 2kbn n LEU 102 Cb 0.00 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 2kbn n LEU 102 CO 0.00 0.23 0.00 1.21 -1.51 0.00 0.00 177.39 177.32 2kbn n GLU 103 N 0.03 0.00 -3.49 3.23 2.13 -1.26 -4.79 120.64 116.49 2kbn n GLU 103 Ca 0.19 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.86 2kbn n GLU 103 Cb 0.34 -3.46 -0.04 0.00 0.27 0.00 0.00 31.44 28.55 2kbn n GLU 103 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2kbn s HIS 104 N -1.03 -0.56 -0.23 4.31 -3.43 -1.26 -5.14 115.29 107.95 2kbn s HIS 104 Ca 0.00 0.66 -0.12 0.00 -0.80 0.00 0.00 55.06 54.79 2kbn s HIS 104 Cb 0.00 0.46 -0.05 0.00 -1.43 0.00 0.00 32.58 31.56 2kbn s HIS 104 CO 0.00 -0.72 0.24 -1.58 -2.00 0.00 0.00 174.74 170.68 2kbn s HIS 105 N -2.54 3.32 0.18 0.38 2.46 -1.26 -5.08 115.29 112.74 2kbn s HIS 105 Ca -0.05 0.33 0.06 0.00 0.47 0.00 0.00 55.06 55.88 2kbn s HIS 105 Cb -0.01 -2.36 -0.04 0.00 -0.13 0.00 0.00 32.58 30.05 2kbn s HIS 105 CO -0.02 0.02 0.08 -3.38 -2.47 0.00 0.00 174.74 168.97 2kbn s HIS 106 N 1.21 3.01 0.13 3.88 -3.43 -1.26 -5.13 115.29 113.70 2kbn s HIS 106 Ca 0.11 -0.08 -0.15 0.00 -0.80 0.00 0.00 55.06 54.14 2kbn s HIS 106 Cb -0.14 -1.44 0.03 0.00 -1.43 0.00 0.00 32.58 29.60 2kbn s HIS 106 CO 0.06 0.52 0.38 -3.38 -2.00 0.00 0.00 174.74 170.33 2kbn s HIS 107 N -1.79 -0.12 0.17 0.38 -3.43 -1.26 -5.14 115.29 104.10 2kbn s HIS 107 Ca 0.30 -0.21 -0.30 0.00 -0.80 0.00 0.00 55.06 54.04 2kbn s HIS 107 Cb -0.09 0.22 -0.07 0.00 -1.43 0.00 0.00 32.58 31.20 2kbn s HIS 107 CO 0.21 -0.71 1.03 -1.01 -2.00 0.00 0.00 174.74 172.27 2kbn s HIS 108 N -3.83 3.72 0.00 0.38 3.76 -1.26 -5.36 115.29 112.70 2kbn s HIS 108 Ca 0.05 1.71 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 2kbn s HIS 108 Cb 0.02 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.54 2kbn s HIS 108 CO -0.10 -0.20 0.00 1.58 -0.85 0.00 0.00 174.74 175.17