#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 0.97 -1.96 0.03 2.13 -1.26 -5.14 120.64 115.40 2kbn n GLU 2 Ca 0.00 -1.68 -0.39 0.00 0.66 0.00 0.00 57.16 55.75 2kbn n GLU 2 Cb 0.00 -0.42 0.01 0.00 0.27 0.00 0.00 31.44 31.30 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 0.20 3.70 -0.86 5.31 0.04 -1.26 -4.90 135.00 137.23 2kbn s PRO 3 Ca 0.20 2.19 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 2kbn s PRO 3 Cb 0.32 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2kbn s PRO 3 CO -0.08 -0.73 1.77 -0.65 0.04 0.00 0.00 177.00 177.36 2kbn s GLN 4 N -2.49 2.84 0.43 4.56 1.11 -1.26 -4.96 119.66 119.89 2kbn s GLN 4 Ca 0.62 -0.30 -0.23 0.00 0.01 0.00 0.00 55.36 55.46 2kbn s GLN 4 Cb -0.39 -4.93 -0.09 0.00 -1.01 0.00 0.00 33.01 26.59 2kbn s GLN 4 CO 0.49 -2.92 1.06 -0.51 0.01 0.00 0.00 175.29 173.42 2kbn s LEU 5 N 8.48 4.03 -0.08 2.90 1.43 -1.26 -2.27 118.68 131.91 2kbn s LEU 5 Ca 0.62 2.03 0.03 0.00 -1.03 0.00 0.00 54.13 55.78 2kbn s LEU 5 Cb -0.06 -4.31 0.01 0.00 0.03 0.00 0.00 46.19 41.85 2kbn s LEU 5 CO 0.02 -0.63 -0.19 -0.89 0.23 0.00 0.00 176.35 174.89 2kbn s THR 6 N -1.75 1.62 0.25 5.49 2.01 0.80 -4.85 115.64 119.21 2kbn s THR 6 Ca 0.61 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.88 2kbn s THR 6 Cb -0.21 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2kbn s THR 6 CO 0.26 0.46 0.38 -0.54 -0.69 0.00 0.00 174.62 174.50 2kbn s LYS 7 N 0.44 3.45 0.16 4.92 1.02 -1.26 -4.46 119.74 124.02 2kbn s LYS 7 Ca -0.16 -0.65 -0.12 0.00 0.02 0.00 0.00 55.97 55.06 2kbn s LYS 7 Cb -0.17 -2.86 0.06 0.00 -0.52 0.00 0.00 37.83 34.34 2kbn s LYS 7 CO 0.06 0.39 1.70 0.82 -0.92 0.00 0.00 175.35 177.40 2kbn h ILE 8 N 1.17 1.23 0.00 2.17 2.04 -1.96 -1.89 117.51 120.27 2kbn h ILE 8 Ca -0.51 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 2kbn h ILE 8 Cb 1.22 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2kbn h ILE 8 CO 0.62 0.29 -0.06 1.62 0.00 0.00 0.00 178.15 180.63 2kbn h VAL 9 N 0.77 0.40 0.00 1.67 3.04 -1.95 0.41 116.25 120.59 2kbn h VAL 9 Ca 0.18 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2kbn h VAL 9 Cb 0.26 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2kbn h VAL 9 CO -0.01 0.06 0.00 0.47 -1.01 0.00 0.00 177.57 177.08 2kbn n ASP 10 N -3.53 0.00 -4.55 3.17 8.00 -0.72 -4.69 116.55 114.23 2kbn n ASP 10 Ca -0.02 -0.35 -0.37 0.00 0.71 0.00 0.00 54.79 54.76 2kbn n ASP 10 Cb 0.18 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.41 3.34 -0.05 0.53 -1.09 0.13 -4.64 121.20 117.00 2kbn s ILE 11 Ca 0.32 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 2kbn s ILE 11 Cb 0.20 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2kbn s ILE 11 CO 0.41 -0.85 -0.04 0.55 -1.23 0.00 0.00 174.94 173.77 2kbn n VAL 12 N 7.34 0.29 -4.66 2.92 3.14 -1.26 -5.04 118.33 121.05 2kbn n VAL 12 Ca 0.23 -0.11 -0.24 0.00 -2.96 0.00 0.00 64.34 61.26 2kbn n VAL 12 Cb 0.52 -0.69 -0.14 0.00 -1.06 0.00 0.00 33.84 32.46 2kbn n VAL 12 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2kbn s GLU 13 N -2.10 1.32 0.54 1.45 2.12 -1.26 -5.14 118.70 115.62 2kbn s GLU 13 Ca -0.07 -0.80 -0.05 0.00 0.36 0.00 0.00 54.97 54.41 2kbn s GLU 13 Cb 0.02 -1.36 -0.01 0.00 0.26 0.00 0.00 34.13 33.04 2kbn s GLU 13 CO 0.12 0.35 0.84 0.54 -0.54 0.00 0.00 175.26 176.57 2kbn s ASN 14 N -0.90 5.84 -0.07 -1.70 2.20 -1.26 -4.07 114.94 114.97 2kbn s ASN 14 Ca 0.06 0.75 0.00 0.00 -0.94 0.00 0.00 52.86 52.73 2kbn s ASN 14 Cb -0.08 -1.87 0.00 0.00 -2.00 0.00 0.00 41.25 37.30 2kbn s ASN 14 CO 0.01 -0.87 0.00 0.61 -2.94 0.00 0.00 177.10 173.91 2kbn n GLY 15 N -2.44 0.48 3.71 0.45 0.00 0.11 -4.98 105.19 102.53 2kbn n GLY 15 Ca 0.03 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.79 4.49 -0.14 1.61 0.74 -1.26 -4.73 119.66 119.58 2kbn s GLN 16 Ca 0.00 1.13 -0.17 0.00 0.05 0.00 0.00 55.36 56.37 2kbn s GLN 16 Cb 0.00 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 2kbn s GLN 16 CO 0.00 0.01 0.43 -1.58 -0.55 0.00 0.00 175.29 173.60 2kbn s TRP 17 N 0.91 3.48 0.01 1.67 0.52 -1.26 -2.33 118.94 121.93 2kbn s TRP 17 Ca 0.44 0.78 -0.09 0.00 0.02 0.00 0.00 56.10 57.26 2kbn s TRP 17 Cb -0.19 -2.51 0.03 0.00 -1.15 0.00 0.00 33.47 29.65 2kbn s TRP 17 CO 0.23 0.15 0.40 0.00 0.02 0.00 0.00 176.95 177.75 2kbn n ALA 18 N 3.80 -1.12 -2.75 0.98 0.00 -1.05 -4.99 120.51 115.39 2kbn n ALA 18 Ca -0.08 -0.29 -0.33 0.00 0.00 0.00 0.00 53.44 52.74 2kbn n ALA 18 Cb 0.52 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.91 5.48 -0.06 0.00 0.01 -0.96 -2.63 114.94 114.87 2kbn s ASN 19 Ca 0.09 0.09 0.03 0.00 -0.71 0.00 0.00 52.86 52.36 2kbn s ASN 19 Cb -0.00 -1.52 0.01 0.00 0.41 0.00 0.00 41.25 40.14 2kbn s ASN 19 CO 0.00 0.27 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.51 2kbn s LEU 20 N -1.68 1.75 -0.12 0.60 2.96 -0.50 -0.14 118.68 121.56 2kbn s LEU 20 Ca 0.22 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 2kbn s LEU 20 Cb -0.12 -0.85 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 2kbn s LEU 20 CO 0.13 0.07 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.31 2kbn s LYS 21 N 0.42 3.26 0.23 1.98 2.20 -1.26 -0.34 119.74 126.22 2kbn s LYS 21 Ca -0.10 -0.75 -0.21 0.00 -0.36 0.00 0.00 55.97 54.55 2kbn s LYS 21 Cb -0.14 -2.51 0.07 0.00 -1.51 0.00 0.00 37.83 33.74 2kbn s LYS 21 CO 0.03 0.21 0.99 0.00 -0.36 0.00 0.00 175.35 176.22 2kbn s ALA 22 N 0.33 -1.42 -0.05 3.13 0.00 -1.11 -4.99 121.76 117.65 2kbn s ALA 22 Ca -0.13 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2kbn s ALA 22 Cb -0.17 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 2kbn s ALA 22 CO 0.07 -1.05 -0.15 0.21 0.00 0.00 0.00 175.76 174.84 2kbn s LYS 23 N -2.18 2.48 -0.34 0.00 2.20 -0.98 -1.95 119.74 118.97 2kbn s LYS 23 Ca 0.21 -0.71 -0.28 0.00 -0.36 0.00 0.00 55.97 54.82 2kbn s LYS 23 Cb -0.03 -2.36 0.02 0.00 -1.51 0.00 0.00 37.83 33.95 2kbn s LYS 23 CO 0.07 0.62 1.04 0.08 -0.36 0.00 0.00 175.35 176.79 2kbn s VAL 24 N -0.72 4.52 -0.23 4.02 1.01 -1.11 -0.74 120.40 127.14 2kbn s VAL 24 Ca 0.11 1.59 -0.17 0.00 0.00 0.00 0.00 61.98 63.51 2kbn s VAL 24 Cb -0.11 -4.40 -0.17 0.00 0.00 0.00 0.00 36.38 31.70 2kbn s VAL 24 CO 0.00 -0.51 0.00 -0.38 0.00 0.00 0.00 175.10 174.21 2kbn n ILE 25 N 5.93 1.55 -3.84 2.22 2.08 -1.22 -2.18 119.36 123.90 2kbn n ILE 25 Ca 0.11 -0.22 -0.12 0.00 0.56 0.00 0.00 62.75 63.08 2kbn n ILE 25 Cb 0.47 -1.94 -0.11 0.00 -0.75 0.00 0.00 39.64 37.31 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2kbn s GLN 26 N -2.43 0.34 -0.04 0.38 -0.21 -1.25 -4.74 119.66 111.71 2kbn s GLN 26 Ca -0.32 -0.09 -0.02 0.00 0.02 0.00 0.00 55.36 54.95 2kbn s GLN 26 Cb 0.09 0.15 0.03 0.00 1.00 0.00 0.00 33.01 34.28 2kbn s GLN 26 CO 0.57 -0.07 0.09 -0.48 -2.12 0.00 0.00 175.29 173.27 2kbn s LEU 27 N -0.65 1.16 0.07 2.90 2.34 -1.26 -2.60 118.68 120.64 2kbn s LEU 27 Ca -0.07 0.17 0.09 0.00 0.06 0.00 0.00 54.13 54.38 2kbn s LEU 27 Cb -0.04 0.19 -0.03 0.00 -0.56 0.00 0.00 46.19 45.75 2kbn s LEU 27 CO 0.01 -0.10 -0.24 0.26 -1.06 0.00 0.00 176.35 175.22 2kbn s TRP 28 N 0.77 2.39 -0.06 3.48 0.51 0.12 -4.95 118.94 121.20 2kbn s TRP 28 Ca -0.06 -0.36 -0.18 0.00 -2.12 0.00 0.00 56.10 53.38 2kbn s TRP 28 Cb -0.08 -1.36 -0.05 0.00 -0.81 0.00 0.00 33.47 31.16 2kbn s TRP 28 CO -0.03 0.23 0.50 -2.00 -0.51 0.00 0.00 176.95 175.15 2kbn s GLU 29 N -1.58 4.26 0.00 4.98 2.56 -1.26 -1.22 118.70 126.44 2kbn s GLU 29 Ca 0.13 0.54 0.00 0.00 0.00 0.00 0.00 54.97 55.64 2kbn s GLU 29 Cb -0.10 -3.37 0.00 0.00 2.00 0.00 0.00 34.13 32.66 2kbn s GLU 29 CO 0.04 0.32 0.00 0.27 -0.56 0.00 0.00 175.26 175.34 2kbn n ASN 30 N 3.04 0.00 -0.00 -1.70 6.94 -1.07 -4.97 115.26 117.50 2kbn n ASN 30 Ca -0.08 -0.89 0.01 0.00 -0.02 0.00 0.00 54.58 53.60 2kbn n ASN 30 Cb 0.52 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.93 2kbn n ASN 30 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2kbn n THR 31 N -1.36 0.00 -2.74 5.53 -1.04 -1.26 -5.02 114.28 108.39 2kbn n THR 31 Ca 0.00 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.05 61.34 2kbn n THR 31 Cb 0.00 0.76 -0.06 0.00 -1.82 0.00 0.00 70.33 69.21 2kbn n THR 31 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2kbn s HIS 32 N -1.56 3.97 0.25 -1.42 3.76 -1.26 -4.95 115.29 114.08 2kbn s HIS 32 Ca 0.00 1.91 0.02 0.00 -0.15 0.00 0.00 55.06 56.83 2kbn s HIS 32 Cb 0.01 -3.00 0.31 0.00 1.11 0.00 0.00 32.58 31.01 2kbn s HIS 32 CO 0.05 0.41 1.64 0.93 -0.85 0.00 0.00 174.74 176.91 2kbn h GLU 33 N 4.19 0.43 -0.70 1.40 4.39 -1.99 -3.12 114.58 119.18 2kbn h GLU 33 Ca -0.45 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.03 2kbn h GLU 33 Cb 1.20 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 2kbn h GLU 33 CO 0.68 0.77 0.40 1.03 -1.16 0.00 0.00 179.01 180.73 2kbn h SER 34 N 0.36 0.87 -3.15 1.42 0.87 -2.00 -3.41 113.55 108.50 2kbn h SER 34 Ca 0.03 -0.08 -0.64 0.00 -1.23 0.00 0.00 61.79 59.87 2kbn h SER 34 Cb 0.87 -0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 62.47 2kbn h SER 34 CO 0.07 0.70 -0.55 -0.63 -0.53 0.00 0.00 176.83 175.89 2kbn s ILE 35 N -5.90 4.91 0.00 2.23 1.01 -1.18 -4.17 121.20 118.11 2kbn s ILE 35 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.52 2kbn s ILE 35 Cb 0.14 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2kbn s ILE 35 CO 0.79 0.52 0.00 -0.24 0.00 0.00 0.00 174.94 176.01 2kbn n SER 36 N 2.96 0.00 -3.99 3.58 2.88 -1.07 -4.48 113.62 113.50 2kbn n SER 36 Ca -0.18 0.32 -0.09 0.00 -1.33 0.00 0.00 58.87 57.60 2kbn n SER 36 Cb 0.53 -0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 2kbn n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbn s GLN 37 N -0.94 0.47 0.09 -1.46 -2.07 -1.26 -2.60 119.66 111.89 2kbn s GLN 37 Ca 0.00 -0.80 0.02 0.00 -1.82 0.00 0.00 55.36 52.76 2kbn s GLN 37 Cb 0.00 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 2kbn s GLN 37 CO 0.00 -0.09 -0.07 0.14 -1.32 0.00 0.00 175.29 173.95 2kbn s VAL 38 N -2.41 0.65 0.00 3.63 -7.23 -0.36 -2.03 120.40 112.66 2kbn s VAL 38 Ca -0.07 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2kbn s VAL 38 Cb -0.03 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.39 2kbn s VAL 38 CO -0.04 -0.81 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 2kbn n GLY 39 N 0.19 1.15 3.06 2.32 0.00 -1.05 0.15 105.19 111.00 2kbn n GLY 39 Ca -0.14 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.16 0.99 2.34 -1.07 -2.20 118.68 120.80 2kbn s LEU 40 Ca 0.00 -0.47 -0.02 0.00 0.06 0.00 0.00 54.13 53.69 2kbn s LEU 40 Cb 0.00 -0.23 -0.02 0.00 -0.56 0.00 0.00 46.19 45.38 2kbn s LEU 40 CO 0.00 -0.14 -0.08 -0.76 -1.06 0.00 0.00 176.35 174.32 2kbn s LEU 41 N -1.33 2.98 0.57 1.48 1.43 0.53 -3.38 118.68 120.96 2kbn s LEU 41 Ca -0.07 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 2kbn s LEU 41 Cb -0.09 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2kbn s LEU 41 CO 0.00 0.14 1.00 -0.83 0.23 0.00 0.00 176.35 176.89 2kbn s GLY 42 N 0.53 1.80 -0.26 -3.19 0.00 0.08 -2.44 107.32 103.83 2kbn s GLY 42 Ca -0.05 -0.02 -0.26 0.00 0.00 0.00 0.00 44.72 44.38 2kbn s GLY 42 CO 0.03 0.25 1.19 -0.35 0.00 0.00 0.00 173.10 174.22 2kbn s ASP 43 N -3.78 -0.27 0.30 1.64 -1.08 -0.31 -2.32 116.67 110.84 2kbn s ASP 43 Ca 0.56 0.45 0.15 0.00 -0.52 0.00 0.00 52.55 53.19 2kbn s ASP 43 Cb -0.11 0.44 0.81 0.00 -1.46 0.00 0.00 42.92 42.60 2kbn s ASP 43 CO 0.46 -0.13 1.39 -0.62 0.52 0.00 0.00 175.17 176.78 2kbn n GLU 44 N 1.54 0.10 0.02 4.34 1.02 -1.26 0.94 120.64 127.34 2kbn n GLU 44 Ca -0.10 0.58 0.11 0.00 -0.02 0.00 0.00 57.16 57.73 2kbn n GLU 44 Cb 0.57 -2.01 0.07 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.07 0.12 -0.17 2.62 -2.24 -1.26 -5.06 114.28 106.22 2kbn n THR 45 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2kbn n THR 45 Cb 0.21 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.41 0.83 3.30 3.38 0.00 0.27 -4.54 105.19 109.84 2kbn n GLY 46 Ca 0.03 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 2kbn n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kbn s ILE 47 N -3.27 1.75 -0.00 -0.61 -4.36 -1.26 -1.17 121.20 112.28 2kbn s ILE 47 Ca 0.00 -1.59 -0.11 0.00 -0.26 0.00 0.00 60.65 58.69 2kbn s ILE 47 Cb 0.00 -1.61 0.01 0.00 1.25 0.00 0.00 42.46 42.11 2kbn s ILE 47 CO 0.00 -0.08 0.22 -0.51 0.24 0.00 0.00 174.94 174.81 2kbn s ILE 48 N -1.25 0.07 0.36 8.37 2.07 -1.02 -4.95 121.20 124.85 2kbn s ILE 48 Ca 0.08 -0.60 -0.17 0.00 -1.41 0.00 0.00 60.65 58.55 2kbn s ILE 48 Cb -0.10 -0.52 -0.09 0.00 0.13 0.00 0.00 42.46 41.88 2kbn s ILE 48 CO 0.05 -0.33 0.80 -0.54 -1.91 0.00 0.00 174.94 173.01 2kbn s LYS 49 N -1.39 4.06 0.02 3.50 -0.14 -1.24 -0.35 119.74 124.20 2kbn s LYS 49 Ca -0.14 0.79 -0.06 0.00 -1.36 0.00 0.00 55.97 55.21 2kbn s LYS 49 Cb -0.06 -2.35 -0.01 0.00 -1.68 0.00 0.00 37.83 33.73 2kbn s LYS 49 CO 0.03 0.09 0.10 -0.59 -0.76 0.00 0.00 175.35 174.22 2kbn s PHE 50 N -2.06 0.13 -0.02 3.18 -0.71 -0.93 -1.45 117.98 116.12 2kbn s PHE 50 Ca 0.56 -0.33 0.02 0.00 -1.04 0.00 0.00 56.93 56.15 2kbn s PHE 50 Cb -0.10 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.61 2kbn s PHE 50 CO 0.17 -0.30 -0.08 0.99 -1.34 0.00 0.00 175.22 174.65 2kbn s THR 51 N -1.85 0.71 -0.25 -4.49 2.01 -1.01 -2.53 115.64 108.23 2kbn s THR 51 Ca -0.11 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 2kbn s THR 51 Cb -0.06 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 2kbn s THR 51 CO -0.01 0.22 0.24 -0.63 -0.69 0.00 0.00 174.62 173.75 2kbn s ILE 52 N 0.08 5.29 -0.07 1.82 -1.09 -0.86 -2.41 121.20 123.96 2kbn s ILE 52 Ca -0.01 0.32 -0.08 0.00 -2.23 0.00 0.00 60.65 58.64 2kbn s ILE 52 Cb -0.07 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2kbn s ILE 52 CO 0.00 0.27 0.22 0.26 -1.23 0.00 0.00 174.94 174.46 2kbn s TRP 53 N 1.50 3.62 -0.97 3.97 0.52 -1.04 -2.61 118.94 123.92 2kbn s TRP 53 Ca 0.10 0.63 0.27 0.00 0.02 0.00 0.00 56.10 57.12 2kbn s TRP 53 Cb -0.15 -2.02 0.89 0.00 -1.15 0.00 0.00 33.47 31.04 2kbn s TRP 53 CO 0.08 0.70 1.69 1.63 0.02 0.00 0.00 176.95 181.07 2kbn n LYS 54 N 1.77 0.02 -0.30 4.98 4.76 -1.26 -3.79 118.16 124.35 2kbn n LYS 54 Ca -0.17 0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.23 2kbn n LYS 54 Cb 0.54 -1.52 0.07 0.00 -1.84 0.00 0.00 35.03 32.28 2kbn n LYS 54 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2kbn h ASN 55 N 0.00 1.02 0.76 4.39 2.35 -1.92 -0.08 115.58 122.09 2kbn h ASN 55 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2kbn h ASN 55 Cb 0.52 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2kbn h ASN 55 CO 0.00 0.84 0.00 0.00 -1.65 0.00 0.00 177.43 176.62 2kbn n ALA 56 N -2.38 2.22 -3.36 -0.83 0.00 -1.25 -4.85 120.51 110.06 2kbn n ALA 56 Ca 0.08 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 2kbn n ALA 56 Cb 0.10 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.43 -2.83 -4.11 0.00 1.02 -0.05 -4.94 120.64 108.31 2kbn n GLU 57 Ca 0.08 0.79 -0.32 0.00 -0.02 0.00 0.00 57.16 57.70 2kbn n GLU 57 Cb 0.27 -5.56 -0.07 0.00 -0.02 0.00 0.00 31.44 26.06 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 -5.75 3.77 0.76 -4.62 1.43 -1.26 -5.10 118.68 107.91 2kbn s LEU 58 Ca 0.38 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 2kbn s LEU 58 Cb -0.06 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.89 2kbn s LEU 58 CO 0.76 0.23 1.09 -2.16 0.23 0.00 0.00 176.35 176.50 2kbn s PRO 59 N -2.02 2.31 0.34 1.29 0.04 -1.26 -4.95 135.00 130.75 2kbn s PRO 59 Ca 0.25 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.21 2kbn s PRO 59 Cb -0.12 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2kbn s PRO 59 CO 0.17 -1.60 1.16 -0.51 0.04 0.00 0.00 177.00 176.26 2kbn s LEU 60 N -5.80 4.39 0.41 -3.56 1.43 -1.26 -5.01 118.68 109.28 2kbn s LEU 60 Ca 0.62 2.37 -0.22 0.00 -1.03 0.00 0.00 54.13 55.87 2kbn s LEU 60 Cb -0.18 -3.79 -0.11 0.00 0.03 0.00 0.00 46.19 42.15 2kbn s LEU 60 CO 0.54 -0.41 0.95 -0.76 0.23 0.00 0.00 176.35 176.90 2kbn s LEU 61 N -1.92 4.01 -0.20 1.79 1.02 -1.26 -5.05 118.68 117.07 2kbn s LEU 61 Ca 0.50 1.71 -0.07 0.00 0.02 0.00 0.00 54.13 56.29 2kbn s LEU 61 Cb -0.33 -4.45 -0.04 0.00 0.02 0.00 0.00 46.19 41.40 2kbn s LEU 61 CO 0.42 -0.31 0.06 -1.61 0.02 0.00 0.00 176.35 174.93 2kbn s GLU 62 N -2.99 3.84 0.55 1.70 0.41 -1.26 -5.08 118.70 115.87 2kbn s GLU 62 Ca 0.60 -0.40 -0.21 0.00 -0.41 0.00 0.00 54.97 54.55 2kbn s GLU 62 Cb -0.11 -3.23 -0.05 0.00 -1.78 0.00 0.00 34.13 28.97 2kbn s GLU 62 CO 0.15 0.12 1.25 -1.14 -0.49 0.00 0.00 175.26 175.15 2kbn s GLN 63 N 0.79 3.20 0.00 1.61 0.74 -1.26 -3.32 119.66 121.41 2kbn s GLN 63 Ca 0.03 1.97 0.00 0.00 0.05 0.00 0.00 55.36 57.41 2kbn s GLN 63 Cb -0.14 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.82 2kbn s GLN 63 CO 0.02 -1.06 0.00 0.41 -0.55 0.00 0.00 175.29 174.11 2kbn n GLY 64 N 0.59 0.43 2.95 2.59 0.00 -0.93 -5.04 105.19 105.77 2kbn n GLY 64 Ca 0.11 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.47 0.23 0.34 1.61 2.02 -1.21 -5.01 118.70 114.21 2kbn s GLU 65 Ca 0.00 -0.36 -0.17 0.00 0.02 0.00 0.00 54.97 54.46 2kbn s GLU 65 Cb 0.00 -0.01 -0.09 0.00 0.10 0.00 0.00 34.13 34.12 2kbn s GLU 65 CO 0.00 -0.01 0.79 -1.54 0.02 0.00 0.00 175.26 174.52 2kbn s SER 66 N -0.82 6.83 0.02 -0.19 1.04 -1.26 -2.77 113.70 116.55 2kbn s SER 66 Ca -0.08 1.38 -0.05 0.00 0.48 0.00 0.00 55.95 57.68 2kbn s SER 66 Cb -0.06 -2.41 -0.01 0.00 0.10 0.00 0.00 66.02 63.64 2kbn s SER 66 CO -0.00 -0.23 0.09 -0.31 0.98 0.00 0.00 173.24 173.77 2kbn s TYR 67 N -2.01 0.14 -0.20 5.02 2.02 -0.82 -2.59 117.35 118.91 2kbn s TYR 67 Ca 0.55 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.88 2kbn s TYR 67 Cb -0.10 -0.11 -0.01 0.00 -0.40 0.00 0.00 41.96 41.34 2kbn s TYR 67 CO 0.17 -0.30 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.60 2kbn s LEU 68 N -1.69 2.81 -0.19 -1.29 2.96 0.34 -2.73 118.68 118.88 2kbn s LEU 68 Ca -0.11 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.31 2kbn s LEU 68 Cb -0.05 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2kbn s LEU 68 CO -0.01 0.02 0.12 -0.76 -1.32 0.00 0.00 176.35 174.39 2kbn s LEU 69 N 1.24 4.13 0.03 -0.68 1.43 0.54 -2.41 118.68 122.96 2kbn s LEU 69 Ca 0.03 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2kbn s LEU 69 Cb -0.14 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 2kbn s LEU 69 CO -0.03 0.20 -0.18 -0.13 0.23 0.00 0.00 176.35 176.44 2kbn s ARG 70 N 0.26 1.20 -1.11 1.70 0.52 -1.06 -1.40 118.95 119.06 2kbn s ARG 70 Ca 0.07 -0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 54.40 2kbn s ARG 70 Cb -0.11 -1.26 -0.04 0.00 0.52 0.00 0.00 34.95 34.05 2kbn s ARG 70 CO -0.01 0.32 0.90 0.43 0.02 0.00 0.00 175.30 176.96 2kbn n SER 71 N 1.98 -5.25 -4.57 0.23 7.64 -1.25 -2.50 113.62 109.90 2kbn n SER 71 Ca -0.17 -0.74 -0.25 0.00 1.01 0.00 0.00 58.87 58.72 2kbn n SER 71 Cb 0.54 -4.90 -0.10 0.00 -1.01 0.00 0.00 64.21 58.74 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 -3.41 2.37 -0.05 0.44 -7.23 -1.08 -3.82 120.40 107.62 2kbn s VAL 72 Ca 0.34 -2.15 0.06 0.00 -1.81 0.00 0.00 61.98 58.43 2kbn s VAL 72 Cb -0.06 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 2kbn s VAL 72 CO 0.76 -0.21 -0.25 0.54 -0.31 0.00 0.00 175.10 175.63 2kbn s VAL 73 N -2.58 2.01 -0.35 1.32 0.11 -1.23 -2.53 120.40 117.15 2kbn s VAL 73 Ca 0.33 -1.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.05 2kbn s VAL 73 Cb 0.01 -1.69 0.02 0.00 -1.53 0.00 0.00 36.38 33.19 2kbn s VAL 73 CO 0.17 0.56 1.02 -0.69 -3.33 0.00 0.00 175.10 172.84 2kbn s VAL 74 N -0.22 4.52 0.66 2.04 1.01 -0.99 -1.74 120.40 125.68 2kbn s VAL 74 Ca -0.01 1.51 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 2kbn s VAL 74 Cb -0.13 -4.40 0.04 0.00 0.00 0.00 0.00 36.38 31.89 2kbn s VAL 74 CO 0.03 -0.53 0.99 -0.83 0.00 0.00 0.00 175.10 174.75 2kbn s GLY 75 N 1.79 1.64 -0.22 4.51 0.00 0.17 0.08 107.32 115.30 2kbn s GLY 75 Ca 0.43 -0.76 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 2kbn s GLY 75 CO 0.18 -0.40 0.05 1.85 0.00 0.00 0.00 173.10 174.78 2kbn s GLU 76 N -5.17 3.74 -0.66 2.90 2.12 -1.26 -2.36 118.70 118.01 2kbn s GLU 76 Ca 0.57 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 55.50 2kbn s GLU 76 Cb -0.11 -3.23 0.16 0.00 0.26 0.00 0.00 34.13 31.21 2kbn s GLU 76 CO 0.46 0.00 0.44 -0.47 -0.54 0.00 0.00 175.26 175.15 2kbn s TYR 77 N 1.09 3.48 0.00 5.30 5.04 -0.71 -4.75 117.35 126.80 2kbn s TYR 77 Ca 0.04 -3.30 0.00 0.00 -2.44 0.00 0.00 57.07 51.36 2kbn s TYR 77 Cb -0.14 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.43 2kbn s TYR 77 CO 0.03 -0.59 0.00 -1.71 -1.34 0.00 0.00 175.55 171.94 2kbn n ASN 78 N 2.24 0.00 0.02 4.32 5.15 -1.26 -0.08 115.26 125.65 2kbn n ASN 78 Ca 0.16 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.07 2kbn n ASN 78 Cb 0.34 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.70 2kbn n ASN 78 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kbn h ASP 79 N 0.00 0.52 -4.17 1.20 3.58 -2.04 -3.45 116.42 112.05 2kbn h ASP 79 Ca 0.00 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 2kbn h ASP 79 Cb 0.00 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.90 2kbn h ASP 79 CO 0.00 0.91 -0.01 0.54 -2.88 0.00 0.00 179.24 177.80 2kbn n ARG 80 N -3.99 1.02 -4.23 0.28 1.74 0.88 -5.13 116.66 107.22 2kbn n ARG 80 Ca -0.02 -0.29 -0.21 0.00 -0.77 0.00 0.00 57.85 56.56 2kbn n ARG 80 Cb 0.55 -0.02 -0.12 0.00 -1.02 0.00 0.00 32.46 31.85 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 0.56 1.50 -0.06 -1.55 0.08 -1.26 -1.74 117.98 115.52 2kbn s PHE 81 Ca 0.05 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.66 2kbn s PHE 81 Cb -0.00 -0.83 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2kbn s PHE 81 CO 0.03 0.14 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.10 2kbn s GLN 82 N -1.92 1.01 0.24 0.44 0.74 -0.99 -3.61 119.66 115.57 2kbn s GLN 82 Ca 0.03 -0.13 -0.28 0.00 0.05 0.00 0.00 55.36 55.04 2kbn s GLN 82 Cb -0.09 -1.05 -0.09 0.00 1.10 0.00 0.00 33.01 32.88 2kbn s GLN 82 CO 0.03 -0.13 0.90 0.14 -0.55 0.00 0.00 175.29 175.67 2kbn s VAL 83 N 1.20 4.19 -0.22 1.34 -7.23 -0.53 0.42 120.40 119.56 2kbn s VAL 83 Ca -0.06 1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 61.98 2kbn s VAL 83 Cb -0.14 -4.20 -0.01 0.00 0.56 0.00 0.00 36.38 32.60 2kbn s VAL 83 CO -0.02 0.41 -0.04 -1.10 -0.31 0.00 0.00 175.10 174.04 2kbn s GLN 84 N -1.41 3.41 -0.63 4.82 -0.21 -0.71 -2.40 119.66 122.53 2kbn s GLN 84 Ca 0.42 -0.61 -0.20 0.00 0.02 0.00 0.00 55.36 54.99 2kbn s GLN 84 Cb -0.23 -3.01 0.10 0.00 1.00 0.00 0.00 33.01 30.87 2kbn s GLN 84 CO 0.28 -0.16 0.78 0.08 -2.12 0.00 0.00 175.29 174.15 2kbn s VAL 85 N 1.40 4.73 0.25 1.09 1.01 -1.01 -3.58 120.40 124.29 2kbn s VAL 85 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 2kbn s VAL 85 Cb -0.14 -4.55 0.01 0.00 0.00 0.00 0.00 36.38 31.70 2kbn s VAL 85 CO -0.02 -1.21 0.38 -0.46 0.00 0.00 0.00 175.10 173.78 2kbn n ASN 86 N 6.57 -1.06 0.00 3.32 2.04 -1.26 -2.50 115.26 122.37 2kbn n ASN 86 Ca -0.06 -2.28 0.00 0.00 -0.44 0.00 0.00 54.58 51.80 2kbn n ASN 86 Cb 0.43 1.92 0.00 0.00 -2.53 0.00 0.00 39.78 39.61 2kbn n ASN 86 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 2kbn n LYS 87 N -0.40 0.00 -0.31 -3.83 3.00 -1.26 -2.22 118.16 113.15 2kbn n LYS 87 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2kbn n LYS 87 Cb 0.41 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.55 2kbn n LYS 87 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kbn n ASN 88 N 2.70 2.67 -4.74 3.14 5.03 -1.26 -4.51 115.26 118.29 2kbn n ASN 88 Ca 0.00 -2.34 -0.41 0.00 0.87 0.00 0.00 54.58 52.70 2kbn n ASN 88 Cb 0.00 -0.57 0.01 0.00 -1.02 0.00 0.00 39.78 38.20 2kbn n ASN 88 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2kbn n SER 89 N 0.14 3.18 -4.26 6.41 2.88 -0.94 -4.85 113.62 116.18 2kbn n SER 89 Ca 0.11 1.15 -0.21 0.00 -1.33 0.00 0.00 58.87 58.59 2kbn n SER 89 Cb 0.63 -1.57 -0.12 0.00 -0.75 0.00 0.00 64.21 62.40 2kbn n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kbn s SER 90 N -0.39 2.28 -0.06 -3.46 0.01 -1.04 -4.94 113.70 106.10 2kbn s SER 90 Ca 0.59 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 57.13 2kbn s SER 90 Cb -0.48 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 65.65 2kbn s SER 90 CO 0.60 -0.04 -0.14 -0.63 0.41 0.00 0.00 173.24 173.44 2kbn s ILE 91 N -1.62 1.21 -0.04 1.44 1.01 -1.26 -2.56 121.20 119.37 2kbn s ILE 91 Ca 0.08 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2kbn s ILE 91 Cb -0.08 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.33 2kbn s ILE 91 CO 0.04 0.37 -0.08 -0.70 0.00 0.00 0.00 174.94 174.56 2kbn s GLU 92 N 0.47 1.13 0.16 2.79 2.12 -1.01 -4.94 118.70 119.42 2kbn s GLU 92 Ca -0.11 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 2kbn s GLU 92 Cb -0.14 -1.02 -0.07 0.00 0.26 0.00 0.00 34.13 33.15 2kbn s GLU 92 CO 0.03 0.01 0.97 0.21 -0.54 0.00 0.00 175.26 175.94 2kbn s LYS 93 N 0.60 4.75 -0.15 4.30 2.20 -1.26 -0.51 119.74 129.67 2kbn s LYS 93 Ca -0.10 1.49 -0.11 0.00 -0.36 0.00 0.00 55.97 56.89 2kbn s LYS 93 Cb -0.13 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 2kbn s LYS 93 CO 0.01 0.31 0.21 -0.51 -0.36 0.00 0.00 175.35 175.02 2kbn s LEU 94 N -0.47 4.28 0.00 5.43 1.43 -1.07 -4.93 118.68 123.35 2kbn s LEU 94 Ca 0.45 0.43 0.15 0.00 -1.03 0.00 0.00 54.13 54.13 2kbn s LEU 94 Cb -0.25 -2.22 0.91 0.00 0.03 0.00 0.00 46.19 44.66 2kbn s LEU 94 CO 0.31 0.21 1.43 -0.24 0.23 0.00 0.00 176.35 178.29 2kbn n SER 95 N 3.09 0.00 -3.98 2.29 2.88 -1.26 -4.28 113.62 112.36 2kbn n SER 95 Ca -0.15 -1.07 -0.31 0.00 -1.33 0.00 0.00 58.87 56.00 2kbn n SER 95 Cb 0.53 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 2kbn n SER 95 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2kbn s GLU 96 N -2.00 2.10 0.55 -1.46 2.12 -1.26 -5.10 118.70 113.65 2kbn s GLU 96 Ca 0.23 -2.60 -0.21 0.00 0.36 0.00 0.00 54.97 52.76 2kbn s GLU 96 Cb 0.11 -3.41 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 2kbn s GLU 96 CO 0.18 -1.12 1.10 -2.30 -0.54 0.00 0.00 175.26 172.57 2kbn n PRO 97 N 3.20 1.24 -3.55 4.30 -0.02 -1.26 -4.91 135.00 134.01 2kbn n PRO 97 Ca 0.06 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.63 2kbn n PRO 97 Cb 0.33 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 2kbn n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kbn s ILE 98 N -1.40 5.29 -0.19 4.25 1.01 -1.26 -5.05 121.20 123.85 2kbn s ILE 98 Ca 0.72 0.42 -0.20 0.00 0.00 0.00 0.00 60.65 61.60 2kbn s ILE 98 Cb -0.44 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2kbn s ILE 98 CO 0.50 0.32 0.57 -0.70 0.00 0.00 0.00 174.94 175.62 2kbn s GLU 99 N 1.07 4.21 -0.01 2.79 2.12 -1.26 -4.91 118.70 122.71 2kbn s GLU 99 Ca 0.13 0.51 0.14 0.00 0.36 0.00 0.00 54.97 56.11 2kbn s GLU 99 Cb -0.14 -3.56 -0.18 0.00 0.26 0.00 0.00 34.13 30.51 2kbn s GLU 99 CO 0.05 -0.18 0.46 0.28 -0.54 0.00 0.00 175.26 175.33 2kbn n VAL 100 N 4.58 0.00 -0.88 3.70 0.31 -1.26 -4.65 118.33 120.13 2kbn n VAL 100 Ca -0.03 -0.24 -0.20 0.00 -0.01 0.00 0.00 64.34 63.86 2kbn n VAL 100 Cb 0.50 0.65 -0.07 0.00 -0.91 0.00 0.00 33.84 34.01 2kbn n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kbn n GLY 101 N 1.49 3.11 0.33 2.92 0.00 -1.26 -4.27 105.19 107.51 2kbn n GLY 101 Ca 0.00 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 3.34 1.10 -4.72 0.99 4.77 -1.26 -4.91 117.00 116.31 2kbn n LEU 102 Ca 0.47 -0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 2kbn n LEU 102 Cb 0.41 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 2kbn n LEU 102 CO 0.49 0.19 1.08 -0.62 -1.33 0.00 0.00 177.39 177.20 2kbn n GLU 103 N -0.28 2.37 -3.82 3.23 1.02 -1.26 -5.00 120.64 116.90 2kbn n GLU 103 Ca 0.17 0.84 -0.12 0.00 -0.02 0.00 0.00 57.16 58.03 2kbn n GLU 103 Cb 0.32 -2.53 -0.11 0.00 -0.02 0.00 0.00 31.44 29.10 2kbn n GLU 103 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kbn s HIS 104 N -0.49 -0.12 0.00 -0.32 2.46 -1.26 -5.17 115.29 110.40 2kbn s HIS 104 Ca 0.61 0.25 0.00 0.00 0.47 0.00 0.00 55.06 56.39 2kbn s HIS 104 Cb -0.55 0.03 0.00 0.00 -0.13 0.00 0.00 32.58 31.93 2kbn s HIS 104 CO 0.55 -0.22 0.00 0.72 -2.47 0.00 0.00 174.74 173.32 2kbn n HIS 105 N 2.14 -0.27 -2.25 3.88 8.25 -1.26 -5.09 115.22 120.63 2kbn n HIS 105 Ca -0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.88 2kbn n HIS 105 Cb 0.57 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 2kbn n HIS 105 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kbn s HIS 106 N 0.79 3.25 0.14 4.41 -3.43 -1.26 -4.94 115.29 114.26 2kbn s HIS 106 Ca 0.00 1.51 -0.13 0.00 -0.80 0.00 0.00 55.06 55.64 2kbn s HIS 106 Cb 0.00 -3.53 -0.01 0.00 -1.43 0.00 0.00 32.58 27.60 2kbn s HIS 106 CO 0.00 -1.39 1.55 0.45 -2.00 0.00 0.00 174.74 173.35 2kbn h HIS 107 N 3.64 0.94 -3.34 0.38 3.86 -2.07 -3.46 115.15 115.09 2kbn h HIS 107 Ca -0.48 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 58.51 2kbn h HIS 107 Cb 1.22 -0.23 -0.10 0.00 1.06 0.00 0.00 27.41 29.36 2kbn h HIS 107 CO 0.57 0.94 0.01 -3.38 0.86 0.00 0.00 177.93 176.94 2kbn s HIS 108 N -4.80 -0.07 -2.00 2.45 -3.43 -1.26 -5.34 115.29 100.84 2kbn s HIS 108 Ca -0.12 -0.28 0.19 0.00 -0.80 0.00 0.00 55.06 54.05 2kbn s HIS 108 Cb 0.11 0.37 1.16 0.00 -1.43 0.00 0.00 32.58 32.79 2kbn s HIS 108 CO 0.83 -0.92 1.55 1.58 -2.00 0.00 0.00 174.74 175.78