#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbn s GLU 2 N 0.00 3.94 0.55 2.12 2.02 -1.26 -5.04 118.70 121.03 2kbn s GLU 2 Ca 0.00 0.59 -0.20 0.00 0.02 0.00 0.00 54.97 55.38 2kbn s GLU 2 Cb 0.00 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.74 2kbn s GLU 2 CO 0.00 0.14 1.21 -1.25 0.02 0.00 0.00 175.26 175.38 2kbn s PRO 3 N -3.12 3.24 -1.03 0.39 0.04 -1.26 -4.91 135.00 128.35 2kbn s PRO 3 Ca 0.53 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 63.19 2kbn s PRO 3 Cb -0.10 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.37 2kbn s PRO 3 CO 0.20 -1.00 1.52 -0.65 0.04 0.00 0.00 177.00 177.12 2kbn s GLN 4 N -3.11 3.51 0.50 4.56 1.11 -1.26 -4.97 119.66 120.00 2kbn s GLN 4 Ca 0.73 -1.11 -0.20 0.00 0.01 0.00 0.00 55.36 54.79 2kbn s GLN 4 Cb -0.31 -5.34 -0.08 0.00 -1.01 0.00 0.00 33.01 26.27 2kbn s GLN 4 CO 0.35 -2.34 1.03 -0.51 0.01 0.00 0.00 175.29 173.83 2kbn s LEU 5 N 5.47 3.80 0.05 2.90 1.43 -1.26 -1.33 118.68 129.74 2kbn s LEU 5 Ca 0.49 1.88 -0.06 0.00 -1.03 0.00 0.00 54.13 55.41 2kbn s LEU 5 Cb -0.00 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 2kbn s LEU 5 CO -0.08 -0.79 0.12 0.28 0.23 0.00 0.00 176.35 176.11 2kbn s THR 6 N -2.08 0.14 0.27 5.49 -1.32 -0.16 -4.86 115.64 113.11 2kbn s THR 6 Ca 0.66 -1.17 0.03 0.00 -1.21 0.00 0.00 61.69 60.00 2kbn s THR 6 Cb -0.15 -1.08 -0.03 0.00 -1.51 0.00 0.00 72.50 69.73 2kbn s THR 6 CO 0.22 -0.64 0.43 -0.54 -2.21 0.00 0.00 174.62 171.88 2kbn s LYS 7 N -3.06 3.47 0.17 7.08 3.01 -1.26 -4.58 119.74 124.57 2kbn s LYS 7 Ca -0.01 -0.55 -0.12 0.00 -1.01 0.00 0.00 55.97 54.28 2kbn s LYS 7 Cb 0.01 -2.80 0.08 0.00 -1.01 0.00 0.00 37.83 34.11 2kbn s LYS 7 CO -0.07 0.33 1.74 0.82 0.51 0.00 0.00 175.35 178.68 2kbn h ILE 8 N 1.08 1.22 0.00 2.17 2.04 -1.94 -1.68 117.51 120.41 2kbn h ILE 8 Ca -0.51 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 2kbn h ILE 8 Cb 1.22 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2kbn h ILE 8 CO 0.62 0.27 -0.11 1.62 0.00 0.00 0.00 178.15 180.55 2kbn h VAL 9 N 0.83 0.92 0.00 1.67 3.04 -1.95 0.10 116.25 120.86 2kbn h VAL 9 Ca 0.20 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2kbn h VAL 9 Cb 0.18 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2kbn h VAL 9 CO -0.02 0.11 0.00 0.44 -1.01 0.00 0.00 177.57 177.09 2kbn h ASP 10 N 0.00 0.00 -3.55 3.17 3.32 -1.71 -3.42 116.42 114.24 2kbn h ASP 10 Ca -0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2kbn h ASP 10 Cb 0.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.66 2kbn h ASP 10 CO 0.01 0.00 0.44 -0.63 -1.72 0.00 0.00 179.24 177.35 2kbn s ILE 11 N -3.32 4.66 0.00 0.35 1.01 0.02 -4.74 121.20 119.18 2kbn s ILE 11 Ca 0.06 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.59 2kbn s ILE 11 Cb 0.08 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.28 2kbn s ILE 11 CO 0.57 -0.53 0.51 1.33 0.00 0.00 0.00 174.94 176.82 2kbn n VAL 12 N 5.94 0.00 -4.78 2.92 0.24 -1.26 -4.99 118.33 116.41 2kbn n VAL 12 Ca 0.04 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.09 2kbn n VAL 12 Cb 0.48 0.19 -0.16 0.00 -1.47 0.00 0.00 33.84 32.89 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 1.51 0.22 7.34 2.02 -1.26 -5.12 118.70 123.41 2kbn s GLU 13 Ca 0.00 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 2kbn s GLU 13 Cb 0.00 -1.38 -0.09 0.00 0.10 0.00 0.00 34.13 32.76 2kbn s GLU 13 CO 0.00 0.29 1.01 -0.80 0.02 0.00 0.00 175.26 175.77 2kbn s ASN 14 N -0.15 7.48 -0.01 -0.19 0.02 -1.26 -3.25 114.94 117.59 2kbn s ASN 14 Ca 0.01 2.03 0.00 0.00 -1.02 0.00 0.00 52.86 53.88 2kbn s ASN 14 Cb -0.09 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.57 2kbn s ASN 14 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.10 177.74 2kbn n GLY 15 N 1.59 0.48 3.72 0.66 0.00 -0.59 -4.99 105.19 106.06 2kbn n GLY 15 Ca -0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.27 4.37 -0.17 1.61 0.74 -1.20 -4.74 119.66 120.00 2kbn s GLN 16 Ca 0.00 1.98 -0.06 0.00 0.05 0.00 0.00 55.36 57.33 2kbn s GLN 16 Cb 0.00 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 2kbn s GLN 16 CO 0.00 -0.35 0.04 -1.58 -0.55 0.00 0.00 175.29 172.85 2kbn s TRP 17 N 0.94 3.22 -0.07 1.67 0.52 -1.26 -2.39 118.94 121.57 2kbn s TRP 17 Ca 0.62 0.04 -0.31 0.00 0.02 0.00 0.00 56.10 56.47 2kbn s TRP 17 Cb -0.35 -2.03 0.11 0.00 -1.15 0.00 0.00 33.47 30.06 2kbn s TRP 17 CO 0.31 0.17 1.36 0.00 0.02 0.00 0.00 176.95 178.81 2kbn s ALA 18 N 0.21 -2.63 -0.01 0.98 0.00 -1.09 -4.97 121.76 114.26 2kbn s ALA 18 Ca 0.03 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 2kbn s ALA 18 Cb -0.13 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2kbn s ALA 18 CO 0.01 -1.14 0.06 -0.80 0.00 0.00 0.00 175.76 173.89 2kbn s ASN 19 N -3.67 5.57 -0.04 0.00 0.02 -0.44 -2.60 114.94 113.78 2kbn s ASN 19 Ca 0.27 0.12 -0.02 0.00 -1.02 0.00 0.00 52.86 52.21 2kbn s ASN 19 Cb 0.02 -1.57 0.02 0.00 0.02 0.00 0.00 41.25 39.74 2kbn s ASN 19 CO -0.03 0.28 0.08 -0.22 0.02 0.00 0.00 177.10 177.22 2kbn s LEU 20 N -1.69 1.29 -0.07 0.60 0.20 -0.69 -0.99 118.68 117.33 2kbn s LEU 20 Ca 0.22 0.16 0.02 0.00 0.69 0.00 0.00 54.13 55.22 2kbn s LEU 20 Cb -0.12 0.20 -0.03 0.00 -0.43 0.00 0.00 46.19 45.81 2kbn s LEU 20 CO 0.13 -0.09 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.25 2kbn s LYS 21 N 0.61 2.75 0.37 1.98 2.20 -1.26 -1.49 119.74 124.91 2kbn s LYS 21 Ca -0.05 -0.63 -0.16 0.00 -0.36 0.00 0.00 55.97 54.77 2kbn s LYS 21 Cb -0.07 -2.51 0.06 0.00 -1.51 0.00 0.00 37.83 33.80 2kbn s LYS 21 CO -0.02 0.58 0.83 0.00 -0.36 0.00 0.00 175.35 176.37 2kbn s ALA 22 N -0.59 -0.79 -0.05 3.13 0.00 -1.12 -5.02 121.76 117.31 2kbn s ALA 22 Ca 0.09 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2kbn s ALA 22 Cb -0.11 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 2kbn s ALA 22 CO 0.02 -0.99 -0.17 0.21 0.00 0.00 0.00 175.76 174.83 2kbn s LYS 23 N -2.10 2.47 0.00 0.00 2.20 -1.08 -2.07 119.74 119.16 2kbn s LYS 23 Ca 0.17 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 2kbn s LYS 23 Cb -0.05 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 2kbn s LYS 23 CO 0.11 0.59 1.05 0.08 -0.36 0.00 0.00 175.35 176.82 2kbn s VAL 24 N -0.65 4.61 -0.21 4.02 1.01 -1.10 0.04 120.40 128.11 2kbn s VAL 24 Ca 0.10 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 63.82 2kbn s VAL 24 Cb -0.11 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 2kbn s VAL 24 CO 0.01 0.12 -0.31 -0.38 0.00 0.00 0.00 175.10 174.53 2kbn n ILE 25 N 4.02 1.40 -3.81 2.22 5.41 -1.16 -2.27 119.36 125.17 2kbn n ILE 25 Ca 0.07 -0.15 -0.12 0.00 1.00 0.00 0.00 62.75 63.55 2kbn n ILE 25 Cb 0.49 -2.00 -0.09 0.00 -0.71 0.00 0.00 39.64 37.33 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2kbn s GLN 26 N -2.59 0.55 -0.03 0.38 2.00 -1.25 -4.72 119.66 114.00 2kbn s GLN 26 Ca -0.31 -0.22 -0.02 0.00 -2.00 0.00 0.00 55.36 52.81 2kbn s GLN 26 Cb 0.10 0.24 0.02 0.00 0.80 0.00 0.00 33.01 34.16 2kbn s GLN 26 CO 0.41 -0.14 0.06 -0.48 -0.50 0.00 0.00 175.29 174.65 2kbn s LEU 27 N -1.19 1.42 -0.22 3.68 2.34 -1.26 -2.67 118.68 120.77 2kbn s LEU 27 Ca -0.13 0.12 0.02 0.00 0.06 0.00 0.00 54.13 54.21 2kbn s LEU 27 Cb -0.06 0.15 0.04 0.00 -0.56 0.00 0.00 46.19 45.76 2kbn s LEU 27 CO 0.03 -0.07 -0.13 0.26 -1.06 0.00 0.00 176.35 175.37 2kbn s TRP 28 N 0.51 2.91 0.54 3.48 0.51 0.90 -4.97 118.94 122.82 2kbn s TRP 28 Ca -0.04 -1.95 -0.21 0.00 -2.12 0.00 0.00 56.10 51.78 2kbn s TRP 28 Cb -0.06 -1.85 -0.05 0.00 -0.81 0.00 0.00 33.47 30.70 2kbn s TRP 28 CO -0.02 -0.83 1.26 -1.83 -0.51 0.00 0.00 176.95 175.02 2kbn s GLU 29 N 1.23 3.21 0.00 4.98 -1.05 -1.26 -2.31 118.70 123.50 2kbn s GLU 29 Ca -0.03 1.98 0.00 0.00 -0.15 0.00 0.00 54.97 56.77 2kbn s GLU 29 Cb -0.17 -2.17 0.00 0.00 -0.44 0.00 0.00 34.13 31.35 2kbn s GLU 29 CO -0.08 -1.06 0.00 0.27 0.95 0.00 0.00 175.26 175.34 2kbn n ASN 30 N -1.11 1.21 -4.29 0.83 0.23 -1.06 -4.90 115.26 106.17 2kbn n ASN 30 Ca 0.11 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.84 2kbn n ASN 30 Cb 0.47 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.08 2kbn n ASN 30 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2kbn n THR 31 N -1.93 -0.85 -0.02 5.53 -2.24 -0.66 -4.80 114.28 109.32 2kbn n THR 31 Ca 0.00 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 2kbn n THR 31 Cb 0.17 -0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 67.43 2kbn n THR 31 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2kbn h HIS 32 N -1.60 0.16 0.00 4.78 6.17 -1.84 -3.47 115.15 119.35 2kbn h HIS 32 Ca -0.63 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.44 2kbn h HIS 32 Cb 1.36 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 31.24 2kbn h HIS 32 CO 0.53 0.23 0.00 -0.85 0.71 0.00 0.00 177.93 178.55 2kbn n GLU 33 N -4.93 0.00 0.00 5.26 0.28 -1.26 -4.94 120.64 115.04 2kbn n GLU 33 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2kbn n GLU 33 Cb 0.10 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.97 2kbn n GLU 33 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2kbn n SER 34 N -1.67 0.26 -4.53 -1.84 3.41 -1.26 -4.99 113.62 103.01 2kbn n SER 34 Ca 0.00 -0.61 -0.35 0.00 -0.26 0.00 0.00 58.87 57.65 2kbn n SER 34 Cb 0.00 0.65 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 2kbn n SER 34 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kbn s ILE 35 N -0.65 4.29 0.00 -1.33 1.01 -1.26 0.31 121.20 123.57 2kbn s ILE 35 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2kbn s ILE 35 Cb 0.00 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.53 2kbn s ILE 35 CO 0.00 0.44 0.26 -1.20 0.00 0.00 0.00 174.94 174.44 2kbn n SER 36 N 3.93 0.00 -3.91 3.58 7.64 -0.68 -2.59 113.62 121.59 2kbn n SER 36 Ca -0.17 0.43 -0.09 0.00 1.01 0.00 0.00 58.87 60.05 2kbn n SER 36 Cb 0.52 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.39 2kbn n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kbn s GLN 37 N -1.03 0.95 0.13 1.43 -2.07 -1.26 -1.65 119.66 116.16 2kbn s GLN 37 Ca 0.00 -1.07 0.04 0.00 -1.82 0.00 0.00 55.36 52.52 2kbn s GLN 37 Cb 0.00 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 2kbn s GLN 37 CO 0.00 -0.32 -0.10 0.14 -1.32 0.00 0.00 175.29 173.69 2kbn s VAL 38 N -3.91 1.10 0.00 3.63 -7.23 -0.98 -2.68 120.40 110.33 2kbn s VAL 38 Ca 0.10 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 2kbn s VAL 38 Cb 0.05 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2kbn s VAL 38 CO -0.06 -0.69 0.00 0.61 -0.31 0.00 0.00 175.10 174.64 2kbn n GLY 39 N 0.02 0.82 2.96 2.32 0.00 -1.10 -0.07 105.19 110.15 2kbn n GLY 39 Ca -0.12 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 2.20 -0.12 0.99 2.34 -1.09 -1.24 118.68 121.75 2kbn s LEU 40 Ca 0.00 -0.41 -0.02 0.00 0.06 0.00 0.00 54.13 53.76 2kbn s LEU 40 Cb 0.00 0.08 -0.03 0.00 -0.56 0.00 0.00 46.19 45.68 2kbn s LEU 40 CO 0.00 -0.25 -0.05 -0.76 -1.06 0.00 0.00 176.35 174.23 2kbn s LEU 41 N -1.20 3.22 0.61 1.48 1.43 -0.21 -3.00 118.68 121.01 2kbn s LEU 41 Ca -0.13 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 2kbn s LEU 41 Cb -0.08 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2kbn s LEU 41 CO -0.01 0.25 0.98 -0.83 0.23 0.00 0.00 176.35 176.97 2kbn s GLY 42 N -0.13 1.61 -0.26 -3.19 0.00 0.11 -2.52 107.32 102.93 2kbn s GLY 42 Ca 0.02 -0.39 -0.27 0.00 0.00 0.00 0.00 44.72 44.08 2kbn s GLY 42 CO 0.03 -0.11 1.20 -0.35 0.00 0.00 0.00 173.10 173.87 2kbn s ASP 43 N -4.25 -0.25 0.33 1.64 -1.08 -0.23 -2.63 116.67 110.19 2kbn s ASP 43 Ca 0.54 0.42 0.16 0.00 -0.52 0.00 0.00 52.55 53.15 2kbn s ASP 43 Cb -0.11 0.40 0.89 0.00 -1.46 0.00 0.00 42.92 42.65 2kbn s ASP 43 CO 0.49 -0.13 1.44 -0.62 0.52 0.00 0.00 175.17 176.87 2kbn n GLU 44 N 1.46 0.11 0.01 4.34 1.02 -1.26 0.87 120.64 127.19 2kbn n GLU 44 Ca -0.09 0.60 0.11 0.00 -0.02 0.00 0.00 57.16 57.75 2kbn n GLU 44 Cb 0.57 -2.05 0.08 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.14 0.04 -0.04 2.62 -2.24 -1.26 -5.06 114.28 106.20 2kbn n THR 45 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2kbn n THR 45 Cb 0.22 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.47 0.85 3.26 3.38 0.00 0.25 -4.64 105.19 109.76 2kbn n GLY 46 Ca 0.04 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.42 1.56 -0.04 -0.61 -4.36 -1.26 -1.07 121.20 111.99 2kbn s ILE 47 Ca 0.00 -1.53 -0.05 0.00 -0.26 0.00 0.00 60.65 58.80 2kbn s ILE 47 Cb 0.00 -1.47 0.01 0.00 1.25 0.00 0.00 42.46 42.25 2kbn s ILE 47 CO 0.00 -0.15 0.14 -0.51 0.24 0.00 0.00 174.94 174.66 2kbn s ILE 48 N -1.34 0.02 0.44 8.37 2.07 -1.05 -4.98 121.20 124.73 2kbn s ILE 48 Ca 0.05 -0.13 -0.10 0.00 -1.41 0.00 0.00 60.65 59.06 2kbn s ILE 48 Cb -0.09 -0.24 -0.06 0.00 0.13 0.00 0.00 42.46 42.20 2kbn s ILE 48 CO 0.04 -0.07 0.81 -0.54 -1.91 0.00 0.00 174.94 173.27 2kbn s LYS 49 N -0.20 3.75 0.02 3.50 1.02 -1.26 -1.04 119.74 125.53 2kbn s LYS 49 Ca -0.03 0.50 -0.07 0.00 0.02 0.00 0.00 55.97 56.39 2kbn s LYS 49 Cb -0.02 -2.34 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 2kbn s LYS 49 CO 0.00 -0.12 0.13 -0.59 -0.92 0.00 0.00 175.35 173.85 2kbn s PHE 50 N -2.50 0.09 -0.06 3.18 -0.71 -0.38 -2.40 117.98 115.21 2kbn s PHE 50 Ca 0.52 -0.26 0.01 0.00 -1.04 0.00 0.00 56.93 56.16 2kbn s PHE 50 Cb -0.10 -0.08 0.02 0.00 -1.21 0.00 0.00 43.02 41.65 2kbn s PHE 50 CO 0.35 -0.32 -0.05 0.99 -1.34 0.00 0.00 175.22 174.85 2kbn s THR 51 N -1.81 0.64 -0.22 -4.49 2.01 -0.96 -2.70 115.64 108.12 2kbn s THR 51 Ca -0.11 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 2kbn s THR 51 Cb -0.05 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 2kbn s THR 51 CO -0.01 0.26 0.37 -0.63 -0.69 0.00 0.00 174.62 173.93 2kbn s ILE 52 N 1.13 5.21 -0.57 1.82 1.01 -1.09 -2.15 121.20 126.56 2kbn s ILE 52 Ca -0.07 0.64 -0.26 0.00 0.00 0.00 0.00 60.65 60.95 2kbn s ILE 52 Cb -0.14 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.66 2kbn s ILE 52 CO -0.01 0.24 1.09 0.26 0.00 0.00 0.00 174.94 176.52 2kbn s TRP 53 N 1.41 2.68 -0.69 3.97 0.52 -1.08 -1.69 118.94 124.06 2kbn s TRP 53 Ca 0.17 0.24 0.00 0.00 0.02 0.00 0.00 56.10 56.53 2kbn s TRP 53 Cb -0.15 -4.33 0.00 0.00 -1.15 0.00 0.00 33.47 27.84 2kbn s TRP 53 CO 0.08 -1.49 0.78 1.17 0.02 0.00 0.00 176.95 177.51 2kbn n LYS 54 N 8.03 0.00 -0.26 4.98 4.81 0.15 -0.91 118.16 134.96 2kbn n LYS 54 Ca 0.06 0.29 -0.05 0.00 -0.87 0.00 0.00 58.31 57.74 2kbn n LYS 54 Cb 0.48 -1.66 0.10 0.00 0.02 0.00 0.00 35.03 33.97 2kbn n LYS 54 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2kbn h ASN 55 N 0.00 1.03 0.95 3.14 -0.73 -1.88 -0.79 115.58 117.30 2kbn h ASN 55 Ca 0.00 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.01 2kbn h ASN 55 Cb 0.33 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.65 2kbn h ASN 55 CO 0.00 0.91 0.00 0.00 -0.37 0.00 0.00 177.43 177.97 2kbn n ALA 56 N -2.44 2.06 -3.61 1.57 0.00 -0.09 -4.91 120.51 113.09 2kbn n ALA 56 Ca 0.07 -0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.22 2kbn n ALA 56 Cb 0.18 -1.40 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 -1.80 -2.83 -3.39 0.00 -0.58 -0.30 -4.86 120.64 106.87 2kbn n GLU 57 Ca 0.05 0.60 -0.31 0.00 -0.42 0.00 0.00 57.16 57.08 2kbn n GLU 57 Cb 0.30 -4.87 -0.04 0.00 -0.57 0.00 0.00 31.44 26.26 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 -6.34 4.13 0.63 -4.62 1.43 -1.26 -5.06 118.68 107.58 2kbn s LEU 58 Ca 0.28 0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 54.03 2kbn s LEU 58 Cb -0.08 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 2kbn s LEU 58 CO 0.82 -0.12 1.18 -2.16 0.23 0.00 0.00 176.35 176.30 2kbn s PRO 59 N -3.10 2.83 0.27 1.29 0.04 -1.26 -4.97 135.00 130.10 2kbn s PRO 59 Ca 0.46 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 2kbn s PRO 59 Cb -0.11 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2kbn s PRO 59 CO 0.25 -1.29 1.29 -0.51 0.04 0.00 0.00 177.00 176.78 2kbn s LEU 60 N -4.40 4.44 0.31 -3.56 1.43 -1.26 -4.99 118.68 110.64 2kbn s LEU 60 Ca 0.74 2.52 -0.27 0.00 -1.03 0.00 0.00 54.13 56.09 2kbn s LEU 60 Cb -0.27 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.22 2kbn s LEU 60 CO 0.36 -0.49 0.97 -0.76 0.23 0.00 0.00 176.35 176.66 2kbn s LEU 61 N -1.01 4.42 0.11 1.79 1.02 -1.26 -5.03 118.68 118.73 2kbn s LEU 61 Ca 0.52 1.93 -0.23 0.00 0.02 0.00 0.00 54.13 56.36 2kbn s LEU 61 Cb -0.38 -3.89 -0.07 0.00 0.02 0.00 0.00 46.19 41.87 2kbn s LEU 61 CO 0.45 -0.06 0.71 -0.70 0.02 0.00 0.00 176.35 176.77 2kbn s GLU 62 N -1.82 4.45 0.21 1.70 2.12 -1.26 -5.03 118.70 119.07 2kbn s GLU 62 Ca 0.48 1.01 -0.30 0.00 0.36 0.00 0.00 54.97 56.52 2kbn s GLU 62 Cb -0.22 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 30.81 2kbn s GLU 62 CO 0.28 0.52 1.12 -1.14 -0.54 0.00 0.00 175.26 175.50 2kbn s GLN 63 N -0.88 4.58 0.00 4.30 0.74 -1.26 -3.32 119.66 123.83 2kbn s GLN 63 Ca 0.34 1.77 0.00 0.00 0.05 0.00 0.00 55.36 57.53 2kbn s GLN 63 Cb -0.21 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.65 2kbn s GLN 63 CO 0.23 0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.46 2kbn n GLY 64 N 1.84 0.53 3.17 2.59 0.00 -0.96 -5.03 105.19 107.33 2kbn n GLY 64 Ca 0.02 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.75 1.06 0.27 1.61 0.41 -1.21 -4.93 118.70 114.16 2kbn s GLU 65 Ca 0.00 -0.81 -0.22 0.00 -0.41 0.00 0.00 54.97 53.53 2kbn s GLU 65 Cb 0.00 -1.10 -0.09 0.00 -1.78 0.00 0.00 34.13 31.16 2kbn s GLU 65 CO 0.00 0.28 0.82 -1.12 -0.49 0.00 0.00 175.26 174.75 2kbn s SER 66 N -1.16 7.16 0.03 -0.19 0.01 -1.26 -2.72 113.70 115.57 2kbn s SER 66 Ca 0.03 1.59 0.01 0.00 1.31 0.00 0.00 55.95 58.89 2kbn s SER 66 Cb -0.08 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2kbn s SER 66 CO 0.01 -0.03 -0.05 -0.31 0.41 0.00 0.00 173.24 173.28 2kbn s TYR 67 N -1.60 0.42 -0.22 2.43 2.02 -0.88 -2.60 117.35 116.93 2kbn s TYR 67 Ca 0.47 -0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 56.63 2kbn s TYR 67 Cb -0.17 -0.27 -0.03 0.00 -0.40 0.00 0.00 41.96 41.09 2kbn s TYR 67 CO 0.22 -0.13 0.04 -1.17 -1.57 0.00 0.00 175.55 172.94 2kbn s LEU 68 N -1.39 3.41 -0.19 -1.29 2.96 -0.91 -2.80 118.68 118.46 2kbn s LEU 68 Ca -0.12 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 2kbn s LEU 68 Cb -0.09 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 2kbn s LEU 68 CO -0.00 0.02 0.11 -0.76 -1.32 0.00 0.00 176.35 174.40 2kbn s LEU 69 N 1.27 4.10 0.02 -0.68 1.43 -0.55 -2.71 118.68 121.55 2kbn s LEU 69 Ca 0.04 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2kbn s LEU 69 Cb -0.15 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2kbn s LEU 69 CO 0.03 0.18 -0.19 -0.13 0.23 0.00 0.00 176.35 176.47 2kbn s ARG 70 N 0.33 1.40 -1.15 1.70 0.52 -0.96 -1.71 118.95 119.09 2kbn s ARG 70 Ca 0.07 -0.79 -0.18 0.00 -0.52 0.00 0.00 55.73 54.31 2kbn s ARG 70 Cb -0.11 -1.43 -0.01 0.00 0.52 0.00 0.00 34.95 33.91 2kbn s ARG 70 CO -0.01 0.38 0.79 0.45 0.02 0.00 0.00 175.30 176.93 2kbn n SER 71 N 2.23 -5.11 -4.69 0.23 2.88 -1.25 -2.50 113.62 105.41 2kbn n SER 71 Ca -0.16 -0.98 -0.23 0.00 -1.33 0.00 0.00 58.87 56.17 2kbn n SER 71 Cb 0.54 -3.57 -0.07 0.00 -0.75 0.00 0.00 64.21 60.36 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 -3.48 3.58 -0.07 2.46 -7.23 -1.07 -3.85 120.40 110.73 2kbn s VAL 72 Ca 0.44 -1.79 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 2kbn s VAL 72 Cb -0.15 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 2kbn s VAL 72 CO 0.85 -0.35 -0.22 0.54 -0.31 0.00 0.00 175.10 175.62 2kbn s VAL 73 N -2.30 2.33 -0.38 1.32 0.11 -1.25 -2.67 120.40 117.55 2kbn s VAL 73 Ca 0.33 -0.96 -0.24 0.00 -2.93 0.00 0.00 61.98 58.18 2kbn s VAL 73 Cb -0.06 -1.88 0.01 0.00 -1.53 0.00 0.00 36.38 32.92 2kbn s VAL 73 CO 0.21 0.56 0.83 -0.69 -3.33 0.00 0.00 175.10 172.68 2kbn s VAL 74 N -0.08 4.67 0.12 2.04 1.01 -1.00 -2.12 120.40 125.04 2kbn s VAL 74 Ca -0.05 0.91 -0.15 0.00 0.00 0.00 0.00 61.98 62.69 2kbn s VAL 74 Cb -0.14 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 2kbn s VAL 74 CO 0.04 -0.51 0.53 -0.83 0.00 0.00 0.00 175.10 174.33 2kbn s GLY 75 N 1.90 2.48 0.22 4.51 0.00 0.15 -1.54 107.32 115.05 2kbn s GLY 75 Ca 0.33 -0.13 -0.31 0.00 0.00 0.00 0.00 44.72 44.61 2kbn s GLY 75 CO 0.18 0.17 1.57 -1.83 0.00 0.00 0.00 173.10 173.20 2kbn s GLU 76 N -1.77 4.19 -0.32 2.90 -1.05 -1.26 -1.96 118.70 119.43 2kbn s GLU 76 Ca 0.35 2.43 -0.02 0.00 -0.15 0.00 0.00 54.97 57.59 2kbn s GLU 76 Cb -0.16 -3.10 0.11 0.00 -0.44 0.00 0.00 34.13 30.54 2kbn s GLU 76 CO 0.19 -0.60 0.15 -0.47 0.95 0.00 0.00 175.26 175.48 2kbn s TYR 77 N 0.68 0.85 0.00 4.83 5.04 -0.99 -4.81 117.35 122.95 2kbn s TYR 77 Ca 0.67 -1.37 0.00 0.00 -2.44 0.00 0.00 57.07 53.93 2kbn s TYR 77 Cb -0.45 -1.16 0.00 0.00 0.35 0.00 0.00 41.96 40.70 2kbn s TYR 77 CO 0.37 -0.84 0.00 0.27 -1.34 0.00 0.00 175.55 174.01 2kbn n ASN 78 N 4.73 0.00 0.00 4.32 0.23 -1.26 0.38 115.26 123.66 2kbn n ASN 78 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.16 2kbn n ASN 78 Cb 0.40 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.67 2kbn n ASN 78 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2kbn n ASP 79 N -1.94 0.00 -2.56 0.53 2.03 -1.26 -4.76 116.55 108.58 2kbn n ASP 79 Ca 0.00 -0.37 -0.06 0.00 0.52 0.00 0.00 54.79 54.88 2kbn n ASP 79 Cb 0.00 -0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 40.27 2kbn n ASP 79 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kbn n ARG 80 N -1.12 1.56 -4.28 -0.67 5.12 0.16 -5.16 116.66 112.27 2kbn n ARG 80 Ca 0.13 -0.74 -0.19 0.00 -1.93 0.00 0.00 57.85 55.12 2kbn n ARG 80 Cb 0.11 0.15 -0.11 0.00 -1.16 0.00 0.00 32.46 31.45 2kbn n ARG 80 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2kbn s PHE 81 N -1.01 1.56 0.03 -1.55 0.08 -1.24 -2.33 117.98 113.51 2kbn s PHE 81 Ca 0.03 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.54 2kbn s PHE 81 Cb -0.00 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 2kbn s PHE 81 CO 0.02 0.22 -0.03 -1.14 -0.10 0.00 0.00 175.22 174.19 2kbn s GLN 82 N -2.88 0.39 -0.14 0.44 0.74 -0.83 -4.19 119.66 113.19 2kbn s GLN 82 Ca 0.13 -0.74 -0.03 0.00 0.05 0.00 0.00 55.36 54.77 2kbn s GLN 82 Cb -0.04 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 2kbn s GLN 82 CO 0.04 -0.05 -0.04 0.14 -0.55 0.00 0.00 175.29 174.84 2kbn s VAL 83 N -1.90 3.92 -0.19 1.34 -7.23 -1.01 0.34 120.40 115.67 2kbn s VAL 83 Ca -0.11 -0.36 -0.06 0.00 -1.81 0.00 0.00 61.98 59.64 2kbn s VAL 83 Cb -0.07 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 2kbn s VAL 83 CO -0.02 0.52 0.04 -1.10 -0.31 0.00 0.00 175.10 174.22 2kbn s GLN 84 N 0.09 3.80 -0.12 4.82 -0.21 -0.90 -2.25 119.66 124.87 2kbn s GLN 84 Ca -0.00 -0.43 -0.14 0.00 0.02 0.00 0.00 55.36 54.81 2kbn s GLN 84 Cb -0.13 -3.16 -0.05 0.00 1.00 0.00 0.00 33.01 30.67 2kbn s GLN 84 CO 0.03 0.13 0.31 0.08 -2.12 0.00 0.00 175.29 173.72 2kbn s VAL 85 N 0.72 5.27 0.28 1.09 1.01 -0.91 -3.97 120.40 123.89 2kbn s VAL 85 Ca 0.02 0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.66 2kbn s VAL 85 Cb -0.14 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2kbn s VAL 85 CO 0.02 0.44 0.23 -0.46 0.00 0.00 0.00 175.10 175.33 2kbn n ASN 86 N 3.10 -0.43 -0.36 3.32 0.23 -1.26 -2.64 115.26 117.22 2kbn n ASN 86 Ca -0.13 -2.83 0.03 0.00 -0.53 0.00 0.00 54.58 51.12 2kbn n ASN 86 Cb 0.52 1.35 0.18 0.00 -2.08 0.00 0.00 39.78 39.75 2kbn n ASN 86 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2kbn h LYS 87 N 0.00 1.10 -0.78 -3.83 3.64 -1.90 -1.33 116.57 113.46 2kbn h LYS 87 Ca -0.20 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2kbn h LYS 87 Cb 1.00 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 2kbn h LYS 87 CO 0.30 0.73 0.50 -0.97 -2.27 0.00 0.00 179.45 177.73 2kbn h ASN 88 N 1.13 0.92 -4.32 4.20 -0.73 -1.96 -3.43 115.58 111.39 2kbn h ASN 88 Ca 0.43 -0.04 -0.50 0.00 1.87 0.00 0.00 56.30 58.07 2kbn h ASN 88 Cb 0.21 -0.23 0.10 0.00 0.27 0.00 0.00 38.32 38.67 2kbn h ASN 88 CO -0.19 0.68 0.36 -0.94 -0.37 0.00 0.00 177.43 176.98 2kbn s SER 89 N -6.33 5.03 0.06 1.15 1.04 -0.50 -4.86 113.70 109.29 2kbn s SER 89 Ca -0.11 1.45 0.05 0.00 0.48 0.00 0.00 55.95 57.81 2kbn s SER 89 Cb 0.18 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 2kbn s SER 89 CO 0.79 -1.64 -0.13 -0.44 0.98 0.00 0.00 173.24 172.80 2kbn s SER 90 N -3.89 1.53 -0.06 7.02 0.01 -1.04 -4.78 113.70 112.50 2kbn s SER 90 Ca 0.59 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 57.28 2kbn s SER 90 Cb -0.14 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.06 2kbn s SER 90 CO 0.54 -0.09 -0.14 -0.63 0.41 0.00 0.00 173.24 173.33 2kbn s ILE 91 N -1.27 1.20 -0.07 1.44 1.01 -1.26 -2.25 121.20 120.00 2kbn s ILE 91 Ca -0.03 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2kbn s ILE 91 Cb -0.10 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2kbn s ILE 91 CO 0.02 0.36 -0.18 -1.61 0.00 0.00 0.00 174.94 173.54 2kbn s GLU 92 N 0.42 2.15 -0.27 2.79 2.02 -1.10 -4.95 118.70 119.76 2kbn s GLU 92 Ca -0.10 -0.63 -0.27 0.00 0.02 0.00 0.00 54.97 53.99 2kbn s GLU 92 Cb -0.14 -1.74 0.01 0.00 0.10 0.00 0.00 34.13 32.36 2kbn s GLU 92 CO 0.03 0.15 0.96 0.21 0.02 0.00 0.00 175.26 176.63 2kbn s LYS 93 N 0.35 4.13 -0.14 1.61 2.20 -1.26 -2.15 119.74 124.48 2kbn s LYS 93 Ca -0.12 1.03 -0.02 0.00 -0.36 0.00 0.00 55.97 56.51 2kbn s LYS 93 Cb -0.15 -3.69 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 2kbn s LYS 93 CO 0.05 -0.70 -0.09 -0.51 -0.36 0.00 0.00 175.35 173.75 2kbn s LEU 94 N 3.21 2.98 0.00 5.43 1.43 -1.07 -4.97 118.68 125.69 2kbn s LEU 94 Ca 0.40 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2kbn s LEU 94 Cb -0.14 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2kbn s LEU 94 CO 0.10 0.18 0.85 -1.20 0.23 0.00 0.00 176.35 176.51 2kbn n SER 95 N 3.44 2.53 -4.12 2.29 7.64 -1.26 -4.03 113.62 120.10 2kbn n SER 95 Ca -0.18 -1.73 -0.37 0.00 1.01 0.00 0.00 58.87 57.60 2kbn n SER 95 Cb 0.53 -0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 63.20 2kbn n SER 95 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2kbn s GLU 96 N 0.09 2.53 0.51 1.43 2.12 -1.26 -5.05 118.70 119.07 2kbn s GLU 96 Ca 0.00 -2.36 -0.19 0.00 0.36 0.00 0.00 54.97 52.78 2kbn s GLU 96 Cb 0.00 -3.76 -0.07 0.00 0.26 0.00 0.00 34.13 30.55 2kbn s GLU 96 CO 0.00 -1.17 1.04 -1.25 -0.54 0.00 0.00 175.26 173.34 2kbn s PRO 97 N 0.25 3.72 -0.21 4.30 0.04 -1.26 -4.56 135.00 137.28 2kbn s PRO 97 Ca 0.15 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 2kbn s PRO 97 Cb -0.20 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 2kbn s PRO 97 CO -0.04 -0.49 0.11 0.42 0.04 0.00 0.00 177.00 177.04 2kbn s ILE 98 N -2.12 5.04 -0.34 0.56 1.01 -1.26 -5.06 121.20 119.04 2kbn s ILE 98 Ca 0.66 0.06 -0.23 0.00 0.00 0.00 0.00 60.65 61.15 2kbn s ILE 98 Cb -0.16 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2kbn s ILE 98 CO 0.24 0.40 0.75 -1.61 0.00 0.00 0.00 174.94 174.72 2kbn s GLU 99 N 0.77 3.82 -0.14 2.79 2.02 -1.26 -4.88 118.70 121.82 2kbn s GLU 99 Ca 0.06 0.36 -0.00 0.00 0.02 0.00 0.00 54.97 55.41 2kbn s GLU 99 Cb -0.13 -3.78 -0.09 0.00 0.10 0.00 0.00 34.13 30.24 2kbn s GLU 99 CO 0.02 -0.76 -0.14 0.28 0.02 0.00 0.00 175.26 174.68 2kbn n VAL 100 N 5.65 0.81 -0.00 2.63 0.31 -1.26 -4.26 118.33 122.22 2kbn n VAL 100 Ca 0.02 -0.29 -0.07 0.00 -0.01 0.00 0.00 64.34 63.99 2kbn n VAL 100 Cb 0.48 -1.12 0.10 0.00 -0.91 0.00 0.00 33.84 32.39 2kbn n VAL 100 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2kbn h GLY 101 N 0.80 0.60 0.64 2.92 0.00 -2.02 -2.50 103.07 103.50 2kbn h GLY 101 Ca -0.33 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.40 2kbn h GLY 101 CO -0.08 0.55 -0.01 1.04 0.00 0.00 0.00 176.54 178.04 2kbn n LEU 102 N -4.02 0.40 -4.68 3.11 4.77 -1.26 -4.87 117.00 110.45 2kbn n LEU 102 Ca -0.02 -0.12 -0.45 0.00 -0.03 0.00 0.00 56.01 55.40 2kbn n LEU 102 Cb 0.52 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2kbn n LEU 102 CO 0.45 0.07 1.25 1.21 -1.33 0.00 0.00 177.39 179.04 2kbn n GLU 103 N -0.71 2.34 0.00 3.23 2.13 -0.95 -4.94 120.64 121.74 2kbn n GLU 103 Ca 0.22 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.88 2kbn n GLU 103 Cb 0.18 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.25 2kbn n GLU 103 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kbn n HIS 104 N 3.65 0.00 -3.79 4.31 -0.00 -1.26 -5.06 115.22 113.07 2kbn n HIS 104 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.76 2kbn n HIS 104 Cb 0.31 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.20 2kbn n HIS 104 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kbn s HIS 105 N 0.00 -0.16 0.18 1.57 2.46 -1.26 -5.13 115.29 112.94 2kbn s HIS 105 Ca 0.00 0.29 -0.30 0.00 0.47 0.00 0.00 55.06 55.51 2kbn s HIS 105 Cb 0.00 0.07 -0.08 0.00 -0.13 0.00 0.00 32.58 32.44 2kbn s HIS 105 CO 0.00 -0.32 1.26 -1.58 -2.47 0.00 0.00 174.74 171.63 2kbn s HIS 106 N -1.05 3.34 -0.06 3.88 2.46 -1.26 -5.03 115.29 117.57 2kbn s HIS 106 Ca -0.11 1.30 -0.08 0.00 0.47 0.00 0.00 55.06 56.64 2kbn s HIS 106 Cb -0.05 -3.52 0.02 0.00 -0.13 0.00 0.00 32.58 28.89 2kbn s HIS 106 CO 0.03 -1.58 0.21 -1.58 -2.47 0.00 0.00 174.74 169.35 2kbn s HIS 107 N 0.13 -0.19 0.29 3.88 2.46 -1.26 -5.14 115.29 115.46 2kbn s HIS 107 Ca 0.55 0.44 -0.29 0.00 0.47 0.00 0.00 55.06 56.23 2kbn s HIS 107 Cb -0.34 0.06 -0.10 0.00 -0.13 0.00 0.00 32.58 32.07 2kbn s HIS 107 CO 0.37 -0.17 1.21 -1.01 -2.47 0.00 0.00 174.74 172.67 2kbn s HIS 108 N -0.26 3.31 0.00 3.88 3.76 -1.26 -5.29 115.29 119.43 2kbn s HIS 108 Ca -0.04 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.39 2kbn s HIS 108 Cb -0.03 -3.49 0.00 0.00 1.11 0.00 0.00 32.58 30.17 2kbn s HIS 108 CO 0.01 -1.26 0.00 -2.39 -0.85 0.00 0.00 174.74 170.24