#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 -2.03 -1.88 0.03 4.71 -1.26 -4.87 120.64 115.34 2kbn n GLU 2 Ca 0.00 0.35 -0.39 0.00 -0.01 0.00 0.00 57.16 57.11 2kbn n GLU 2 Cb 0.00 -4.05 0.02 0.00 -1.01 0.00 0.00 31.44 26.40 2kbn n GLU 2 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2kbn s PRO 3 N -6.56 3.60 -0.99 3.49 0.04 -1.26 -4.93 135.00 128.39 2kbn s PRO 3 Ca 0.22 2.27 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 2kbn s PRO 3 Cb -0.09 -2.55 0.11 0.00 0.04 0.00 0.00 34.50 32.01 2kbn s PRO 3 CO 0.90 -0.84 1.26 -0.65 0.04 0.00 0.00 177.00 177.71 2kbn s GLN 4 N -2.55 3.65 0.25 4.56 -0.21 -1.26 -4.99 119.66 119.10 2kbn s GLN 4 Ca 0.63 -1.66 -0.30 0.00 0.02 0.00 0.00 55.36 54.06 2kbn s GLN 4 Cb -0.41 -5.07 -0.09 0.00 1.00 0.00 0.00 33.01 28.44 2kbn s GLN 4 CO 0.51 -1.91 1.06 -0.51 -2.12 0.00 0.00 175.29 172.33 2kbn s LEU 5 N 3.28 4.56 -0.08 2.90 2.01 -1.26 -2.20 118.68 127.88 2kbn s LEU 5 Ca 0.38 2.16 0.03 0.00 0.01 0.00 0.00 54.13 56.71 2kbn s LEU 5 Cb -0.03 -3.62 0.01 0.00 0.01 0.00 0.00 46.19 42.56 2kbn s LEU 5 CO -0.08 -0.09 -0.19 -0.89 1.01 0.00 0.00 176.35 176.11 2kbn s THR 6 N -0.97 1.64 0.50 5.49 2.01 -0.67 -4.92 115.64 118.72 2kbn s THR 6 Ca 0.45 -0.77 -0.17 0.00 0.31 0.00 0.00 61.69 61.50 2kbn s THR 6 Cb -0.30 -1.44 -0.08 0.00 0.01 0.00 0.00 72.50 70.68 2kbn s THR 6 CO 0.38 0.47 0.98 -0.54 -0.69 0.00 0.00 174.62 175.21 2kbn s LYS 7 N 0.50 3.98 0.16 4.92 1.02 -1.26 -4.81 119.74 124.25 2kbn s LYS 7 Ca -0.17 0.97 -0.13 0.00 0.02 0.00 0.00 55.97 56.66 2kbn s LYS 7 Cb -0.17 -2.14 0.05 0.00 -0.52 0.00 0.00 37.83 35.05 2kbn s LYS 7 CO 0.06 -0.24 1.73 0.82 -0.92 0.00 0.00 175.35 176.81 2kbn h ILE 8 N 1.04 1.21 0.00 2.17 2.04 -1.97 -1.91 117.51 120.08 2kbn h ILE 8 Ca -0.47 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 2kbn h ILE 8 Cb 1.18 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2kbn h ILE 8 CO 0.61 0.24 -0.10 1.62 0.00 0.00 0.00 178.15 180.52 2kbn h VAL 9 N 0.71 0.45 0.00 1.67 3.04 -1.93 -0.89 116.25 119.29 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 0.15 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2kbn h VAL 9 CO -0.02 0.10 0.00 0.47 -1.01 0.00 0.00 177.57 177.11 2kbn n ASP 10 N -3.51 0.00 -4.64 3.17 8.00 -0.73 -4.73 116.55 114.11 2kbn n ASP 10 Ca -0.02 -0.26 -0.43 0.00 0.71 0.00 0.00 54.79 54.80 2kbn n ASP 10 Cb 0.24 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.47 4.70 0.00 0.53 1.01 -0.34 -4.78 121.20 119.84 2kbn s ILE 11 Ca 0.30 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.68 2kbn s ILE 11 Cb 0.19 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2kbn s ILE 11 CO 0.42 -0.23 0.23 1.33 0.00 0.00 0.00 174.94 176.69 2kbn n VAL 12 N 5.46 0.00 -3.92 2.92 0.24 -1.26 -4.97 118.33 116.79 2kbn n VAL 12 Ca 0.09 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.23 2kbn n VAL 12 Cb 0.47 0.86 -0.16 0.00 -1.47 0.00 0.00 33.84 33.54 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 0.24 0.42 7.34 2.02 -1.26 -5.14 118.70 122.31 2kbn s GLU 13 Ca 0.00 0.06 -0.14 0.00 0.02 0.00 0.00 54.97 54.91 2kbn s GLU 13 Cb 0.00 -0.40 -0.08 0.00 0.10 0.00 0.00 34.13 33.75 2kbn s GLU 13 CO 0.00 -0.11 0.84 0.54 0.02 0.00 0.00 175.26 176.55 2kbn s ASN 14 N 0.83 6.65 -0.17 -0.19 2.20 -1.26 -4.65 114.94 118.35 2kbn s ASN 14 Ca -0.08 1.34 -0.04 0.00 -0.94 0.00 0.00 52.86 53.14 2kbn s ASN 14 Cb -0.11 -2.41 0.00 0.00 -2.00 0.00 0.00 41.25 36.73 2kbn s ASN 14 CO -0.02 -0.40 0.14 0.61 -2.94 0.00 0.00 177.10 174.49 2kbn n GLY 15 N -1.10 -2.14 3.64 0.45 0.00 0.11 -4.98 105.19 101.17 2kbn n GLY 15 Ca 0.04 0.30 -0.06 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 -1.25 0.42 0.03 1.61 0.74 -1.26 -4.92 119.66 115.03 2kbn s GLN 16 Ca 0.06 0.58 -0.16 0.00 0.05 0.00 0.00 55.36 55.88 2kbn s GLN 16 Cb -0.02 0.16 -0.06 0.00 1.10 0.00 0.00 33.01 34.20 2kbn s GLN 16 CO 0.34 -0.06 0.48 -1.58 -0.55 0.00 0.00 175.29 173.92 2kbn s TRP 17 N 0.63 3.76 0.12 1.67 0.52 -1.26 -2.43 118.94 121.95 2kbn s TRP 17 Ca -0.01 1.10 -0.26 0.00 0.02 0.00 0.00 56.10 56.95 2kbn s TRP 17 Cb -0.04 -2.37 0.08 0.00 -1.15 0.00 0.00 33.47 29.98 2kbn s TRP 17 CO -0.10 0.62 1.03 0.00 0.02 0.00 0.00 176.95 178.51 2kbn s ALA 18 N -1.11 -1.77 -0.02 0.98 0.00 -1.01 -4.91 121.76 113.92 2kbn s ALA 18 Ca 0.26 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 2kbn s ALA 18 Cb -0.18 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2kbn s ALA 18 CO 0.16 -1.05 0.15 -0.80 0.00 0.00 0.00 175.76 174.22 2kbn s ASN 19 N -2.97 6.20 -0.10 0.00 0.01 -0.94 -2.69 114.94 114.45 2kbn s ASN 19 Ca 0.13 0.31 -0.07 0.00 -0.71 0.00 0.00 52.86 52.52 2kbn s ASN 19 Cb -0.00 -1.92 0.03 0.00 0.41 0.00 0.00 41.25 39.78 2kbn s ASN 19 CO 0.01 0.28 0.24 -0.22 -1.51 0.00 0.00 177.10 175.91 2kbn s LEU 20 N -1.77 0.77 -0.04 0.60 2.96 -0.84 -1.66 118.68 118.70 2kbn s LEU 20 Ca 0.25 0.50 0.07 0.00 -0.22 0.00 0.00 54.13 54.73 2kbn s LEU 20 Cb -0.12 0.78 -0.01 0.00 0.50 0.00 0.00 46.19 47.34 2kbn s LEU 20 CO 0.16 -0.12 -0.25 -0.75 -1.32 0.00 0.00 176.35 174.06 2kbn s LYS 21 N 0.65 2.34 0.30 1.98 2.20 -1.26 -0.73 119.74 125.23 2kbn s LYS 21 Ca -0.04 -0.90 -0.20 0.00 -0.36 0.00 0.00 55.97 54.47 2kbn s LYS 21 Cb -0.06 -2.08 0.03 0.00 -1.51 0.00 0.00 37.83 34.21 2kbn s LYS 21 CO -0.04 0.44 0.76 0.00 -0.36 0.00 0.00 175.35 176.16 2kbn s ALA 22 N -0.33 -1.13 -0.04 3.13 0.00 -1.10 -4.99 121.76 117.31 2kbn s ALA 22 Ca 0.02 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2kbn s ALA 22 Cb -0.12 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2kbn s ALA 22 CO 0.02 -1.03 -0.12 0.21 0.00 0.00 0.00 175.76 174.84 2kbn s LYS 23 N -3.41 2.51 0.07 0.00 2.20 -1.08 -2.05 119.74 117.98 2kbn s LYS 23 Ca 0.12 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 2kbn s LYS 23 Cb -0.05 -2.42 -0.05 0.00 -1.51 0.00 0.00 37.83 33.80 2kbn s LYS 23 CO 0.08 0.62 1.05 0.08 -0.36 0.00 0.00 175.35 176.81 2kbn s VAL 24 N -0.81 4.43 0.00 4.02 1.01 -1.10 -0.96 120.40 126.99 2kbn s VAL 24 Ca 0.13 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.96 2kbn s VAL 24 Cb -0.11 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2kbn s VAL 24 CO 0.02 0.21 0.00 2.30 0.00 0.00 0.00 175.10 177.63 2kbn n ILE 25 N 3.40 0.00 -3.69 2.22 -5.35 -1.26 -2.11 119.36 112.58 2kbn n ILE 25 Ca 0.05 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.43 2kbn n ILE 25 Cb 0.49 -0.77 -0.11 0.00 -1.74 0.00 0.00 39.64 37.50 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2kbn s GLN 26 N -1.78 0.31 -0.01 6.28 2.00 -1.25 -4.93 119.66 120.28 2kbn s GLN 26 Ca 0.00 0.80 0.00 0.00 -2.00 0.00 0.00 55.36 54.17 2kbn s GLN 26 Cb 0.00 0.05 0.01 0.00 0.80 0.00 0.00 33.01 33.87 2kbn s GLN 26 CO 0.00 -0.20 -0.00 -0.48 -0.50 0.00 0.00 175.29 174.11 2kbn s LEU 27 N 1.84 1.62 -0.11 3.68 2.34 -1.26 -2.36 118.68 124.43 2kbn s LEU 27 Ca -0.06 -0.01 0.01 0.00 0.06 0.00 0.00 54.13 54.13 2kbn s LEU 27 Cb -0.10 -0.10 0.02 0.00 -0.56 0.00 0.00 46.19 45.45 2kbn s LEU 27 CO -0.11 -0.04 -0.12 0.86 -1.06 0.00 0.00 176.35 175.87 2kbn s TRP 28 N 0.43 1.79 0.36 3.48 -0.00 -0.93 -5.02 118.94 119.06 2kbn s TRP 28 Ca -0.04 -0.86 -0.28 0.00 -0.00 0.00 0.00 56.10 54.91 2kbn s TRP 28 Cb -0.06 -1.34 -0.11 0.00 -0.00 0.00 0.00 33.47 31.95 2kbn s TRP 28 CO -0.01 -0.49 1.52 -1.91 -0.00 0.00 0.00 176.95 176.06 2kbn n GLU 29 N 4.44 2.70 -3.62 5.86 2.13 -1.26 -2.55 120.64 128.33 2kbn n GLU 29 Ca -0.18 0.95 -0.38 0.00 0.66 0.00 0.00 57.16 58.22 2kbn n GLU 29 Cb 0.51 -2.70 -0.11 0.00 0.27 0.00 0.00 31.44 29.41 2kbn n GLU 29 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2kbn s ASN 30 N 0.02 5.93 0.00 4.31 3.84 -0.94 -4.81 114.94 123.29 2kbn s ASN 30 Ca 0.56 -0.02 0.25 0.00 0.21 0.00 0.00 52.86 53.86 2kbn s ASN 30 Cb -0.48 -2.09 0.63 0.00 -0.55 0.00 0.00 41.25 38.76 2kbn s ASN 30 CO 0.60 -0.03 1.50 0.35 -2.79 0.00 0.00 177.10 176.74 2kbn n THR 31 N 4.92 0.06 -3.00 -5.21 -2.24 -1.26 -4.60 114.28 102.95 2kbn n THR 31 Ca -0.14 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 2kbn n THR 31 Cb 0.52 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.94 3.27 1.01 4.78 3.76 -1.26 -5.02 115.29 119.90 2kbn s HIS 32 Ca 0.34 0.92 -0.22 0.00 -0.15 0.00 0.00 55.06 55.94 2kbn s HIS 32 Cb 0.20 -2.99 -0.12 0.00 1.11 0.00 0.00 32.58 30.79 2kbn s HIS 32 CO 0.31 -0.40 -0.94 0.39 -0.85 0.00 0.00 174.74 173.25 2kbn n GLU 33 N 5.91 -0.28 0.00 1.40 4.71 -1.26 -1.93 120.64 129.20 2kbn n GLU 33 Ca 0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 2kbn n GLU 33 Cb 0.48 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 2kbn n GLU 33 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2kbn n SER 34 N 2.28 0.00 -4.37 1.62 7.64 -1.26 -4.86 113.62 114.67 2kbn n SER 34 Ca -0.01 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.51 2kbn n SER 34 Cb 0.66 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 3.86 -0.09 0.44 1.01 -0.81 -2.94 121.20 122.67 2kbn s ILE 35 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 2kbn s ILE 35 Cb 0.00 -2.82 -0.22 0.00 0.01 0.00 0.00 42.46 39.43 2kbn s ILE 35 CO 0.00 0.33 0.90 -1.28 0.00 0.00 0.00 174.94 174.89 2kbn h SER 36 N 8.18 -0.02 -5.06 3.58 0.87 -1.21 -3.39 113.55 116.50 2kbn h SER 36 Ca -0.38 -0.73 -0.09 0.00 -1.23 0.00 0.00 61.79 59.36 2kbn h SER 36 Cb 1.16 0.01 -0.16 0.00 -0.44 0.00 0.00 62.40 62.96 2kbn h SER 36 CO 0.59 0.75 -0.23 -1.58 -0.53 0.00 0.00 176.83 175.84 2kbn s GLN 37 N -2.94 0.84 -0.04 2.24 0.74 -1.24 -2.20 119.66 117.06 2kbn s GLN 37 Ca -0.17 -0.52 -0.03 0.00 0.05 0.00 0.00 55.36 54.69 2kbn s GLN 37 Cb -0.01 0.36 0.01 0.00 1.10 0.00 0.00 33.01 34.47 2kbn s GLN 37 CO 0.63 -0.28 0.10 0.54 -0.55 0.00 0.00 175.29 175.73 2kbn s VAL 38 N -2.67 -0.00 0.00 1.34 0.11 -1.06 -1.69 120.40 116.43 2kbn s VAL 38 Ca -0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 2kbn s VAL 38 Cb -0.00 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.70 2kbn s VAL 38 CO -0.04 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 2kbn n GLY 39 N 3.05 1.43 3.07 6.54 0.00 -1.10 -2.18 105.19 116.00 2kbn n GLY 39 Ca -0.13 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.07 0.99 2.34 -1.00 -1.12 118.68 122.04 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 -0.27 -0.03 0.00 -0.56 0.00 0.00 46.19 45.34 2kbn s LEU 40 CO 0.00 -0.12 -0.12 -0.76 -1.06 0.00 0.00 176.35 174.29 2kbn s LEU 41 N -1.34 2.87 0.25 1.48 1.43 -0.37 -3.79 118.68 119.21 2kbn s LEU 41 Ca -0.06 -0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 52.64 2kbn s LEU 41 Cb -0.09 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 2kbn s LEU 41 CO 0.01 0.31 0.82 -0.83 0.23 0.00 0.00 176.35 176.89 2kbn s GLY 42 N -0.54 2.73 0.11 -3.19 0.00 -0.13 -2.48 107.32 103.82 2kbn s GLY 42 Ca 0.07 0.33 -0.11 0.00 0.00 0.00 0.00 44.72 45.01 2kbn s GLY 42 CO 0.02 0.74 0.27 0.99 0.00 0.00 0.00 173.10 175.12 2kbn s ASP 43 N -1.57 -0.01 0.58 1.64 1.01 0.67 -2.63 116.67 116.36 2kbn s ASP 43 Ca 0.45 -0.54 0.35 0.00 0.71 0.00 0.00 52.55 53.52 2kbn s ASP 43 Cb -0.18 0.39 1.72 0.00 1.01 0.00 0.00 42.92 45.86 2kbn s ASP 43 CO 0.23 -0.78 2.13 -0.08 0.21 0.00 0.00 175.17 176.88 2kbn h GLU 44 N 2.60 0.00 -0.01 8.23 4.81 -1.97 -0.84 114.58 127.40 2kbn h GLU 44 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2kbn h GLU 44 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2kbn h GLU 44 CO 0.52 0.04 -0.14 0.25 -0.73 0.00 0.00 179.01 178.95 2kbn n THR 45 N -3.24 0.00 0.00 0.32 -2.24 -1.26 -5.04 114.28 102.82 2kbn n THR 45 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2kbn n THR 45 Cb 0.22 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.26 0.50 3.30 3.38 0.00 -0.32 -4.70 105.19 108.61 2kbn n GLY 46 Ca 0.15 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.63 1.70 -0.03 -0.61 -4.36 -1.26 -0.23 121.20 113.77 2kbn s ILE 47 Ca 0.00 -1.71 -0.03 0.00 -0.26 0.00 0.00 60.65 58.65 2kbn s ILE 47 Cb 0.00 -1.66 0.01 0.00 1.25 0.00 0.00 42.46 42.06 2kbn s ILE 47 CO 0.00 -0.21 0.09 -0.51 0.24 0.00 0.00 174.94 174.55 2kbn s ILE 48 N -1.63 0.00 0.21 8.37 1.10 -1.03 -4.98 121.20 123.24 2kbn s ILE 48 Ca 0.10 -0.01 -0.16 0.00 -0.51 0.00 0.00 60.65 60.07 2kbn s ILE 48 Cb -0.08 -0.14 -0.08 0.00 0.15 0.00 0.00 42.46 42.32 2kbn s ILE 48 CO 0.05 -0.01 0.64 -0.54 -2.11 0.00 0.00 174.94 172.98 2kbn s LYS 49 N 0.03 4.07 0.05 3.50 1.02 -1.26 -1.23 119.74 125.92 2kbn s LYS 49 Ca -0.00 0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.65 2kbn s LYS 49 Cb -0.01 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2kbn s LYS 49 CO 0.00 0.38 -0.06 -0.59 -0.92 0.00 0.00 175.35 174.17 2kbn s PHE 50 N -1.59 0.58 -0.06 3.18 -0.71 -0.27 -2.69 117.98 116.41 2kbn s PHE 50 Ca 0.43 -0.65 0.02 0.00 -1.04 0.00 0.00 56.93 55.69 2kbn s PHE 50 Cb -0.15 -0.36 0.01 0.00 -1.21 0.00 0.00 43.02 41.31 2kbn s PHE 50 CO 0.20 -0.16 -0.11 0.99 -1.34 0.00 0.00 175.22 174.80 2kbn s THR 51 N -2.12 1.02 -0.19 -4.49 2.01 -1.08 -2.70 115.64 108.08 2kbn s THR 51 Ca -0.06 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.45 2kbn s THR 51 Cb -0.05 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2kbn s THR 51 CO -0.02 0.32 0.07 -0.63 -0.69 0.00 0.00 174.62 173.67 2kbn s ILE 52 N 0.61 4.77 -0.11 1.82 1.01 -0.68 -2.28 121.20 126.33 2kbn s ILE 52 Ca -0.12 -0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 2kbn s ILE 52 Cb -0.15 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2kbn s ILE 52 CO 0.03 0.45 0.53 0.26 0.00 0.00 0.00 174.94 176.21 2kbn s TRP 53 N 0.47 3.52 -0.52 3.97 0.52 -1.09 -0.80 118.94 125.02 2kbn s TRP 53 Ca 0.03 0.96 0.20 0.00 0.02 0.00 0.00 56.10 57.32 2kbn s TRP 53 Cb -0.13 -2.62 0.92 0.00 -1.15 0.00 0.00 33.47 30.49 2kbn s TRP 53 CO 0.01 0.13 1.62 0.36 0.02 0.00 0.00 176.95 179.09 2kbn n LYS 54 N 3.78 0.14 -0.06 4.98 2.85 -1.15 -2.44 118.16 126.25 2kbn n LYS 54 Ca -0.06 0.45 -0.01 0.00 -1.05 0.00 0.00 58.31 57.64 2kbn n LYS 54 Cb 0.51 -1.82 0.25 0.00 -0.65 0.00 0.00 35.03 33.32 2kbn n LYS 54 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 2kbn h ASN 55 N 0.00 0.63 1.09 -5.58 -1.07 -1.92 -1.17 115.58 107.57 2kbn h ASN 55 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.26 2kbn h ASN 55 Cb 0.25 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 2kbn h ASN 55 CO 0.00 0.65 0.00 0.00 0.07 0.00 0.00 177.43 178.15 2kbn n ALA 56 N -2.47 2.16 -3.64 4.14 0.00 -1.02 -4.91 120.51 114.78 2kbn n ALA 56 Ca 0.03 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 2kbn n ALA 56 Cb 0.23 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.87 -2.50 -3.98 0.00 1.02 -0.44 -4.88 120.64 108.00 2kbn n GLU 57 Ca 0.06 0.56 -0.33 0.00 -0.02 0.00 0.00 57.16 57.43 2kbn n GLU 57 Cb 0.34 -4.71 -0.05 0.00 -0.02 0.00 0.00 31.44 27.00 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 -6.38 4.18 0.67 -4.62 1.43 -1.26 -5.09 118.68 107.60 2kbn s LEU 58 Ca 0.31 0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.52 2kbn s LEU 58 Cb -0.09 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2kbn s LEU 58 CO 0.83 0.25 1.11 -2.16 0.23 0.00 0.00 176.35 176.61 2kbn s PRO 59 N -1.98 2.75 0.34 1.29 0.04 -1.26 -5.00 135.00 131.18 2kbn s PRO 59 Ca 0.27 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 2kbn s PRO 59 Cb -0.12 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 2kbn s PRO 59 CO 0.19 -1.28 1.16 -0.51 0.04 0.00 0.00 177.00 176.59 2kbn s LEU 60 N -4.95 4.39 0.31 -3.56 1.43 -1.26 -5.01 118.68 110.03 2kbn s LEU 60 Ca 0.66 2.36 -0.26 0.00 -1.03 0.00 0.00 54.13 55.86 2kbn s LEU 60 Cb -0.20 -3.79 -0.10 0.00 0.03 0.00 0.00 46.19 42.13 2kbn s LEU 60 CO 0.43 -0.41 0.93 -0.76 0.23 0.00 0.00 176.35 176.77 2kbn s LEU 61 N -1.92 4.38 0.42 1.79 1.02 -1.26 -5.04 118.68 118.07 2kbn s LEU 61 Ca 0.50 1.83 -0.15 0.00 0.02 0.00 0.00 54.13 56.33 2kbn s LEU 61 Cb -0.32 -3.94 -0.08 0.00 0.02 0.00 0.00 46.19 41.87 2kbn s LEU 61 CO 0.42 -0.03 0.85 -1.61 0.02 0.00 0.00 176.35 175.99 2kbn s GLU 62 N -1.93 3.96 0.13 1.70 0.41 -1.26 -5.04 118.70 116.67 2kbn s GLU 62 Ca 0.49 0.76 -0.28 0.00 -0.41 0.00 0.00 54.97 55.53 2kbn s GLU 62 Cb -0.19 -2.30 -0.07 0.00 -1.78 0.00 0.00 34.13 29.79 2kbn s GLU 62 CO 0.25 -0.05 0.87 -1.14 -0.49 0.00 0.00 175.26 174.70 2kbn s GLN 63 N -3.57 4.65 0.00 1.61 0.74 -1.26 -3.43 119.66 118.40 2kbn s GLN 63 Ca 0.56 1.30 0.00 0.00 0.05 0.00 0.00 55.36 57.27 2kbn s GLN 63 Cb -0.10 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.68 2kbn s GLN 63 CO 0.25 0.37 0.00 0.41 -0.55 0.00 0.00 175.29 175.76 2kbn n GLY 64 N 2.00 0.77 3.62 2.59 0.00 -0.90 -5.01 105.19 108.26 2kbn n GLY 64 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.12 2.49 0.38 1.61 0.41 -1.22 -4.88 118.70 117.37 2kbn s GLU 65 Ca 0.00 -0.80 -0.14 0.00 -0.41 0.00 0.00 54.97 53.62 2kbn s GLU 65 Cb 0.00 -2.49 -0.08 0.00 -1.78 0.00 0.00 34.13 29.78 2kbn s GLU 65 CO 0.00 0.57 0.79 -1.54 -0.49 0.00 0.00 175.26 174.59 2kbn s SER 66 N -1.81 6.66 -0.03 -0.19 1.04 -1.26 -2.70 113.70 115.41 2kbn s SER 66 Ca 0.20 1.28 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 2kbn s SER 66 Cb -0.11 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.64 2kbn s SER 66 CO 0.12 -0.34 0.17 -0.31 0.98 0.00 0.00 173.24 173.87 2kbn s TYR 67 N -2.23 -0.09 -0.23 5.02 2.02 -0.87 -2.57 117.35 118.40 2kbn s TYR 67 Ca 0.54 0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 57.38 2kbn s TYR 67 Cb -0.10 0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.45 2kbn s TYR 67 CO 0.24 -0.21 0.03 -1.17 -1.57 0.00 0.00 175.55 172.87 2kbn s LEU 68 N -0.69 3.27 -0.17 -1.29 2.96 -0.59 -2.70 118.68 119.49 2kbn s LEU 68 Ca -0.08 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 53.50 2kbn s LEU 68 Cb -0.05 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 2kbn s LEU 68 CO 0.01 -0.01 0.12 -0.76 -1.32 0.00 0.00 176.35 174.40 2kbn s LEU 69 N 1.43 4.21 0.01 -0.68 1.43 0.10 -2.61 118.68 122.57 2kbn s LEU 69 Ca 0.05 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 2kbn s LEU 69 Cb -0.15 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2kbn s LEU 69 CO 0.02 0.26 -0.14 -0.13 0.23 0.00 0.00 176.35 176.58 2kbn s ARG 70 N -0.11 1.08 -1.07 1.70 0.52 -0.93 -1.98 118.95 118.17 2kbn s ARG 70 Ca 0.10 -0.60 -0.14 0.00 -0.52 0.00 0.00 55.73 54.56 2kbn s ARG 70 Cb -0.11 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.26 2kbn s ARG 70 CO 0.00 0.28 0.82 -1.13 0.02 0.00 0.00 175.30 175.30 2kbn n SER 71 N 2.43 -5.91 -4.40 0.23 3.41 -1.24 -2.57 113.62 105.56 2kbn n SER 71 Ca -0.16 -0.86 -0.33 0.00 -0.26 0.00 0.00 58.87 57.27 2kbn n SER 71 Cb 0.55 -4.03 -0.14 0.00 -0.26 0.00 0.00 64.21 60.33 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 -3.39 3.03 -0.09 -3.33 -7.23 -1.10 -4.11 120.40 104.19 2kbn s VAL 72 Ca 0.43 -0.69 -0.13 0.00 -1.81 0.00 0.00 61.98 59.78 2kbn s VAL 72 Cb -0.12 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2kbn s VAL 72 CO 0.82 0.55 0.32 0.54 -0.31 0.00 0.00 175.10 177.01 2kbn s VAL 73 N 0.01 5.23 -0.20 1.32 0.11 -1.18 -2.40 120.40 123.29 2kbn s VAL 73 Ca -0.04 0.63 -0.17 0.00 -2.93 0.00 0.00 61.98 59.47 2kbn s VAL 73 Cb -0.14 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 2kbn s VAL 73 CO 0.04 0.50 0.45 0.68 -3.33 0.00 0.00 175.10 173.44 2kbn s VAL 74 N -0.37 5.16 -0.07 2.04 -7.23 -1.02 -0.81 120.40 118.11 2kbn s VAL 74 Ca 0.20 0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 61.13 2kbn s VAL 74 Cb -0.14 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 32.98 2kbn s VAL 74 CO 0.08 0.22 0.16 -0.83 -0.31 0.00 0.00 175.10 174.42 2kbn s GLY 75 N 1.08 2.16 0.35 2.32 0.00 -0.68 0.04 107.32 112.59 2kbn s GLY 75 Ca 0.21 -0.70 -0.29 0.00 0.00 0.00 0.00 44.72 43.95 2kbn s GLY 75 CO 0.09 -0.51 1.49 -1.84 0.00 0.00 0.00 173.10 172.33 2kbn n GLU 76 N 1.50 2.60 -3.47 2.90 0.28 -1.26 -2.55 120.64 120.64 2kbn n GLU 76 Ca -0.16 0.92 -0.27 0.00 -0.16 0.00 0.00 57.16 57.49 2kbn n GLU 76 Cb 0.54 -2.64 -0.11 0.00 1.43 0.00 0.00 31.44 30.66 2kbn n GLU 76 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2kbn s TYR 77 N -0.82 1.40 0.00 -1.84 5.04 -0.78 -4.85 117.35 115.49 2kbn s TYR 77 Ca 0.56 -2.40 0.00 0.00 -2.44 0.00 0.00 57.07 52.79 2kbn s TYR 77 Cb -0.50 -1.17 0.00 0.00 0.35 0.00 0.00 41.96 40.64 2kbn s TYR 77 CO 0.60 -0.79 0.00 -1.71 -1.34 0.00 0.00 175.55 172.31 2kbn n ASN 78 N 2.86 0.00 -0.00 4.32 2.85 -1.26 0.20 115.26 124.22 2kbn n ASN 78 Ca 0.26 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.73 2kbn n ASN 78 Cb 0.45 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.47 2kbn n ASN 78 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2kbn h ASP 79 N 0.00 -0.01 0.00 1.20 3.58 -2.03 -3.46 116.42 115.70 2kbn h ASP 79 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kbn h ASP 79 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kbn h ASP 79 CO 0.00 -0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.90 2kbn n ARG 80 N -2.63 0.04 -4.24 0.28 1.74 0.13 -5.17 116.66 106.82 2kbn n ARG 80 Ca -0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 2kbn n ARG 80 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 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 3.94 1.39 0.16 -1.55 0.08 -1.26 -1.87 117.98 118.87 2kbn s PHE 81 Ca 0.00 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 56.53 2kbn s PHE 81 Cb 0.00 -0.73 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 2kbn s PHE 81 CO 0.00 0.14 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.55 2kbn s GLN 82 N -2.63 1.09 -0.20 0.44 -0.21 -1.06 -4.73 119.66 112.37 2kbn s GLN 82 Ca 0.08 -1.49 -0.07 0.00 0.02 0.00 0.00 55.36 53.90 2kbn s GLN 82 Cb -0.05 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.43 2kbn s GLN 82 CO 0.03 -0.01 0.07 0.14 -2.12 0.00 0.00 175.29 173.39 2kbn s VAL 83 N -3.45 4.72 -0.20 1.09 -7.23 -1.10 -1.69 120.40 112.54 2kbn s VAL 83 Ca 0.20 -0.05 -0.06 0.00 -1.81 0.00 0.00 61.98 60.25 2kbn s VAL 83 Cb 0.04 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 2kbn s VAL 83 CO 0.02 0.43 0.03 -1.10 -0.31 0.00 0.00 175.10 174.17 2kbn s GLN 84 N 0.63 3.76 -0.26 4.82 -0.21 0.01 -2.63 119.66 125.79 2kbn s GLN 84 Ca 0.03 -0.45 -0.08 0.00 0.02 0.00 0.00 55.36 54.88 2kbn s GLN 84 Cb -0.13 -3.15 -0.03 0.00 1.00 0.00 0.00 33.01 30.70 2kbn s GLN 84 CO 0.01 0.10 0.10 0.08 -2.12 0.00 0.00 175.29 173.46 2kbn s VAL 85 N 0.80 4.53 0.22 1.09 1.01 -0.97 -3.09 120.40 123.99 2kbn s VAL 85 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2kbn s VAL 85 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2kbn s VAL 85 CO 0.02 0.32 0.29 -0.46 0.00 0.00 0.00 175.10 175.28 2kbn n ASN 86 N 4.94 -0.81 -3.63 3.32 0.23 -1.26 -2.66 115.26 115.39 2kbn n ASN 86 Ca -0.16 -2.19 -0.33 0.00 -0.53 0.00 0.00 54.58 51.37 2kbn n ASN 86 Cb 0.52 1.54 0.03 0.00 -2.08 0.00 0.00 39.78 39.78 2kbn n ASN 86 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2kbn n LYS 87 N -0.36 0.00 0.00 -3.83 4.81 -1.26 -0.99 118.16 116.53 2kbn n LYS 87 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2kbn n LYS 87 Cb 0.37 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 34.52 2kbn n LYS 87 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2kbn n ASN 88 N 2.88 0.00 -4.81 3.14 4.05 -1.26 -4.95 115.26 114.31 2kbn n ASN 88 Ca 0.01 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.70 2kbn n ASN 88 Cb 0.48 -0.01 -0.02 0.00 1.23 0.00 0.00 39.78 41.46 2kbn n ASN 88 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2kbn s SER 89 N -0.11 6.22 0.00 1.20 0.15 -0.16 -4.82 113.70 116.18 2kbn s SER 89 Ca 0.00 1.83 0.03 0.00 0.70 0.00 0.00 55.95 58.51 2kbn s SER 89 Cb 0.00 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2kbn s SER 89 CO 0.00 -0.86 -0.10 -0.55 1.20 0.00 0.00 173.24 172.92 2kbn s SER 90 N -2.41 1.18 -0.08 5.45 0.15 -1.06 -4.95 113.70 111.98 2kbn s SER 90 Ca 0.65 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 57.09 2kbn s SER 90 Cb -0.15 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2kbn s SER 90 CO 0.27 0.08 -0.19 -0.63 1.20 0.00 0.00 173.24 173.97 2kbn s ILE 91 N -0.41 1.64 -0.06 6.45 1.01 -1.26 -2.19 121.20 126.39 2kbn s ILE 91 Ca 0.02 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.92 2kbn s ILE 91 Cb -0.05 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2kbn s ILE 91 CO -0.00 0.47 -0.15 -0.70 0.00 0.00 0.00 174.94 174.55 2kbn s GLU 92 N 0.40 1.80 -0.07 2.79 2.12 -1.07 -4.95 118.70 119.72 2kbn s GLU 92 Ca -0.15 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 2kbn s GLU 92 Cb -0.16 -1.51 -0.02 0.00 0.26 0.00 0.00 34.13 32.70 2kbn s GLU 92 CO 0.06 0.14 0.94 0.21 -0.54 0.00 0.00 175.26 176.08 2kbn s LYS 93 N 0.32 4.46 -0.17 4.30 2.20 -1.26 -1.54 119.74 128.06 2kbn s LYS 93 Ca -0.09 1.30 -0.07 0.00 -0.36 0.00 0.00 55.97 56.75 2kbn s LYS 93 Cb -0.14 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 2kbn s LYS 93 CO 0.03 -0.17 0.07 -0.51 -0.36 0.00 0.00 175.35 174.41 2kbn s LEU 94 N 1.51 3.86 0.00 5.43 1.02 -1.06 -4.96 118.68 124.48 2kbn s LEU 94 Ca 0.47 0.13 0.26 0.00 0.02 0.00 0.00 54.13 55.02 2kbn s LEU 94 Cb -0.19 -1.97 1.32 0.00 0.02 0.00 0.00 46.19 45.37 2kbn s LEU 94 CO 0.21 0.22 1.89 -0.24 0.02 0.00 0.00 176.35 178.45 2kbn n SER 95 N 3.25 0.00 -4.42 2.29 2.88 -1.26 -4.14 113.62 112.22 2kbn n SER 95 Ca -0.17 -0.04 -0.42 0.00 -1.33 0.00 0.00 58.87 56.91 2kbn n SER 95 Cb 0.53 -0.30 -0.11 0.00 -0.75 0.00 0.00 64.21 63.58 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 -2.60 2.92 0.52 -1.46 2.02 -1.26 -5.05 118.70 113.79 2kbn s GLU 96 Ca 0.24 -1.03 -0.18 0.00 0.02 0.00 0.00 54.97 54.01 2kbn s GLU 96 Cb 0.18 -3.85 -0.07 0.00 0.10 0.00 0.00 34.13 30.49 2kbn s GLU 96 CO 0.41 -0.71 1.03 -1.25 0.02 0.00 0.00 175.26 174.76 2kbn s PRO 97 N 1.62 3.70 0.14 0.39 0.04 -1.26 -4.77 135.00 134.87 2kbn s PRO 97 Ca 0.04 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 62.05 2kbn s PRO 97 Cb -0.19 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 2kbn s PRO 97 CO 0.08 -0.50 0.83 0.42 0.04 0.00 0.00 177.00 177.88 2kbn s ILE 98 N -2.22 4.42 0.00 0.56 1.01 -1.26 -5.00 121.20 118.70 2kbn s ILE 98 Ca 0.65 1.81 0.00 0.00 0.00 0.00 0.00 60.65 63.11 2kbn s ILE 98 Cb -0.15 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.13 2kbn s ILE 98 CO 0.26 0.45 0.45 -0.62 0.00 0.00 0.00 174.94 175.48 2kbn n GLU 99 N 2.02 0.00 -3.43 2.79 4.71 -1.26 -4.68 120.64 120.79 2kbn n GLU 99 Ca -0.03 0.27 -0.24 0.00 -0.01 0.00 0.00 57.16 57.15 2kbn n GLU 99 Cb 0.49 -0.95 -0.05 0.00 -1.01 0.00 0.00 31.44 29.92 2kbn n GLU 99 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2kbn n VAL 100 N -0.72 -0.20 0.00 2.62 0.24 -1.26 -4.56 118.33 114.46 2kbn n VAL 100 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2kbn n VAL 100 Cb 0.00 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 -1.21 -1.24 0.07 7.63 0.00 -1.26 -5.00 105.19 104.17 2kbn n GLY 101 Ca -0.02 0.58 0.13 0.00 0.00 0.00 0.00 46.02 46.71 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 0.49 -4.12 0.99 4.77 -1.26 -4.93 117.00 112.94 2kbn n LEU 102 Ca 0.00 0.05 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 2kbn n LEU 102 Cb 0.00 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 2kbn n LEU 102 CO 0.00 0.11 -0.21 -0.62 -1.33 0.00 0.00 177.39 175.33 2kbn n GLU 103 N -1.23 -2.75 -1.58 3.23 1.02 -1.26 -4.70 120.64 113.36 2kbn n GLU 103 Ca 0.09 0.33 -0.14 0.00 -0.02 0.00 0.00 57.16 57.42 2kbn n GLU 103 Cb 0.33 -4.54 -0.08 0.00 -0.02 0.00 0.00 31.44 27.13 2kbn n GLU 103 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kbn s HIS 104 N -3.81 1.16 -0.64 -0.32 -3.43 -1.26 -4.65 115.29 102.34 2kbn s HIS 104 Ca 0.26 2.03 0.25 0.00 -0.80 0.00 0.00 55.06 56.79 2kbn s HIS 104 Cb -0.14 -3.43 0.46 0.00 -1.43 0.00 0.00 32.58 28.04 2kbn s HIS 104 CO 0.93 -1.44 1.45 1.12 -2.00 0.00 0.00 174.74 174.80 2kbn h HIS 105 N 12.50 0.00 -2.84 0.38 2.07 -2.04 -3.42 115.15 121.80 2kbn h HIS 105 Ca 0.00 0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 56.85 2kbn h HIS 105 Cb 1.00 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.80 2kbn h HIS 105 CO 1.14 0.00 0.27 -3.38 -3.07 0.00 0.00 177.93 172.89 2kbn s HIS 106 N -3.16 2.88 0.12 6.12 -3.43 -1.26 -4.89 115.29 111.67 2kbn s HIS 106 Ca 0.07 -0.77 -0.14 0.00 -0.80 0.00 0.00 55.06 53.41 2kbn s HIS 106 Cb 0.13 -4.08 -0.04 0.00 -1.43 0.00 0.00 32.58 27.15 2kbn s HIS 106 CO 0.69 -1.40 1.51 0.45 -2.00 0.00 0.00 174.74 173.99 2kbn h HIS 107 N 9.31 0.83 0.00 0.38 3.86 -2.01 -3.40 115.15 124.12 2kbn h HIS 107 Ca -0.29 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 58.68 2kbn h HIS 107 Cb 1.08 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 29.30 2kbn h HIS 107 CO 0.88 0.89 -0.13 -2.39 0.86 0.00 0.00 177.93 178.05 2kbn n HIS 108 N -4.35 0.00 -1.57 2.45 1.44 -1.26 -5.25 115.22 106.68 2kbn n HIS 108 Ca -0.02 -0.22 0.00 0.00 -2.01 0.00 0.00 57.72 55.48 2kbn n HIS 108 Cb 0.37 0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.83 2kbn n HIS 108 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14