#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 0.12 -1.87 0.03 0.28 -1.26 -5.16 120.64 112.78 2kbn n GLU 2 Ca 0.00 -0.79 -0.37 0.00 -0.16 0.00 0.00 57.16 55.84 2kbn n GLU 2 Cb 0.00 -0.00 0.04 0.00 1.43 0.00 0.00 31.44 32.91 2kbn n GLU 2 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 2kbn s PRO 3 N 0.75 2.98 -1.22 3.44 0.02 -1.26 -4.92 135.00 134.78 2kbn s PRO 3 Ca 0.24 2.04 -0.14 0.00 0.02 0.00 0.00 61.00 63.16 2kbn s PRO 3 Cb 0.15 -2.06 0.16 0.00 0.02 0.00 0.00 34.50 32.77 2kbn s PRO 3 CO -0.10 -1.26 1.46 1.04 -0.33 0.00 0.00 177.00 177.81 2kbn n GLN 4 N -1.39 3.36 -1.74 5.54 6.02 -1.26 -4.95 117.38 122.97 2kbn n GLN 4 Ca 0.13 -3.81 -0.42 0.00 -0.01 0.00 0.00 57.00 52.89 2kbn n GLN 4 Cb 0.47 -3.07 -0.02 0.00 1.02 0.00 0.00 30.24 28.64 2kbn n GLN 4 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2kbn n LEU 5 N 5.82 4.24 -4.02 1.08 7.99 -1.26 -0.06 117.00 130.78 2kbn n LEU 5 Ca 0.38 1.12 -0.25 0.00 -0.01 0.00 0.00 56.01 57.24 2kbn n LEU 5 Cb 0.43 -1.59 -0.17 0.00 -0.11 0.00 0.00 43.42 41.99 2kbn n LEU 5 CO 0.64 0.16 -0.47 -0.89 -1.51 0.00 0.00 177.39 175.32 2kbn s THR 6 N 0.38 1.18 0.31 -5.08 2.01 -0.55 -4.86 115.64 109.03 2kbn s THR 6 Ca 0.68 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 62.13 2kbn s THR 6 Cb -0.50 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 70.87 2kbn s THR 6 CO 0.43 0.37 0.60 -0.54 -0.69 0.00 0.00 174.62 174.79 2kbn s LYS 7 N 0.80 3.67 0.15 4.92 1.02 -1.26 -4.66 119.74 124.39 2kbn s LYS 7 Ca -0.12 0.12 -0.14 0.00 0.02 0.00 0.00 55.97 55.86 2kbn s LYS 7 Cb -0.15 -2.59 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 2kbn s LYS 7 CO 0.02 0.17 1.71 0.82 -0.92 0.00 0.00 175.35 177.14 2kbn h ILE 8 N 1.34 1.21 0.00 2.17 2.04 -1.98 -1.89 117.51 120.40 2kbn h ILE 8 Ca -0.47 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 2kbn h ILE 8 Cb 1.19 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2kbn h ILE 8 CO 0.66 0.25 -0.06 1.62 0.00 0.00 0.00 178.15 180.61 2kbn h VAL 9 N 0.66 0.28 -0.00 1.67 3.04 -1.95 -0.75 116.25 119.21 2kbn h VAL 9 Ca 0.17 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2kbn h VAL 9 Cb 0.19 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2kbn h VAL 9 CO -0.01 0.06 -0.01 0.47 -1.01 0.00 0.00 177.57 177.06 2kbn n ASP 10 N -3.36 0.12 -4.58 3.17 8.00 -0.72 -4.72 116.55 114.47 2kbn n ASP 10 Ca -0.01 -0.66 -0.43 0.00 0.71 0.00 0.00 54.79 54.40 2kbn n ASP 10 Cb 0.22 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.26 4.57 0.00 0.53 1.01 -0.29 -4.75 121.20 120.00 2kbn s ILE 11 Ca 0.38 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2kbn s ILE 11 Cb 0.21 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.33 2kbn s ILE 11 CO 0.41 -0.67 0.08 1.33 0.00 0.00 0.00 174.94 176.09 2kbn n VAL 12 N 6.16 0.00 -3.91 2.92 0.24 -1.26 -5.07 118.33 117.41 2kbn n VAL 12 Ca 0.05 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.14 2kbn n VAL 12 Cb 0.48 1.57 -0.13 0.00 -1.47 0.00 0.00 33.84 34.29 2kbn n VAL 12 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2kbn s GLU 13 N -0.06 0.14 0.44 7.34 -1.05 -1.26 -5.16 118.70 119.09 2kbn s GLU 13 Ca 0.00 -0.22 -0.02 0.00 -0.15 0.00 0.00 54.97 54.58 2kbn s GLU 13 Cb 0.00 0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 2kbn s GLU 13 CO 0.00 -0.02 0.69 0.54 0.95 0.00 0.00 175.26 177.42 2kbn s ASN 14 N -0.56 6.14 -0.02 0.83 2.20 -1.26 -4.19 114.94 118.08 2kbn s ASN 14 Ca -0.06 0.64 0.00 0.00 -0.94 0.00 0.00 52.86 52.49 2kbn s ASN 14 Cb -0.04 -2.01 0.00 0.00 -2.00 0.00 0.00 41.25 37.20 2kbn s ASN 14 CO -0.00 -0.54 0.00 0.61 -2.94 0.00 0.00 177.10 174.23 2kbn n GLY 15 N -2.09 0.44 3.72 0.45 0.00 0.13 -5.01 105.19 102.83 2kbn n GLY 15 Ca -0.01 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.21 4.59 -0.14 1.61 0.74 -1.24 -4.79 119.66 119.21 2kbn s GLN 16 Ca 0.00 1.31 -0.05 0.00 0.05 0.00 0.00 55.36 56.68 2kbn s GLN 16 Cb 0.00 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.66 2kbn s GLN 16 CO 0.00 0.12 0.01 -1.58 -0.55 0.00 0.00 175.29 173.29 2kbn s TRP 17 N 0.43 3.16 -0.07 1.67 0.52 -1.26 -1.21 118.94 122.17 2kbn s TRP 17 Ca 0.46 -0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.58 2kbn s TRP 17 Cb -0.21 -1.95 0.00 0.00 -1.15 0.00 0.00 33.47 30.15 2kbn s TRP 17 CO 0.27 0.19 0.00 0.00 0.02 0.00 0.00 176.95 177.43 2kbn n ALA 18 N 3.10 0.00 -2.93 0.98 0.00 -1.08 -5.00 120.51 115.59 2kbn n ALA 18 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 2kbn n ALA 18 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2kbn n ALA 18 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kbn s ASN 19 N -2.95 6.32 -0.04 0.00 2.47 0.91 -2.60 114.94 119.06 2kbn s ASN 19 Ca 0.00 0.21 0.01 0.00 0.42 0.00 0.00 52.86 53.50 2kbn s ASN 19 Cb 0.00 -1.92 0.02 0.00 -1.45 0.00 0.00 41.25 37.90 2kbn s ASN 19 CO 0.00 0.11 -0.03 -0.22 -3.72 0.00 0.00 177.10 173.25 2kbn s LEU 20 N -2.85 1.26 -0.08 3.21 2.96 0.03 -1.48 118.68 121.73 2kbn s LEU 20 Ca 0.35 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 2kbn s LEU 20 Cb -0.12 -0.35 -0.01 0.00 0.50 0.00 0.00 46.19 46.21 2kbn s LEU 20 CO 0.28 -0.07 -0.24 -0.75 -1.32 0.00 0.00 176.35 174.25 2kbn s LYS 21 N 0.96 2.81 0.26 1.98 2.20 -1.26 -0.33 119.74 126.36 2kbn s LYS 21 Ca -0.11 -0.88 -0.20 0.00 -0.36 0.00 0.00 55.97 54.43 2kbn s LYS 21 Cb -0.14 -2.25 0.07 0.00 -1.51 0.00 0.00 37.83 33.99 2kbn s LYS 21 CO -0.01 0.29 0.94 0.00 -0.36 0.00 0.00 175.35 176.22 2kbn s ALA 22 N 0.07 -1.29 -0.00 3.13 0.00 -1.13 -5.02 121.76 117.52 2kbn s ALA 22 Ca -0.10 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2kbn s ALA 22 Cb -0.16 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 2kbn s ALA 22 CO 0.06 -1.04 -0.09 0.21 0.00 0.00 0.00 175.76 174.90 2kbn s LYS 23 N -2.31 2.49 -0.20 0.00 2.20 -1.09 -2.25 119.74 118.58 2kbn s LYS 23 Ca 0.19 -0.74 -0.25 0.00 -0.36 0.00 0.00 55.97 54.81 2kbn s LYS 23 Cb -0.04 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 2kbn s LYS 23 CO 0.07 0.60 0.81 0.08 -0.36 0.00 0.00 175.35 176.56 2kbn s VAL 24 N -0.93 4.88 -0.27 4.02 1.01 -1.09 -0.70 120.40 127.31 2kbn s VAL 24 Ca 0.16 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 2kbn s VAL 24 Cb -0.11 -4.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 2kbn s VAL 24 CO 0.06 -0.00 -0.33 -0.38 0.00 0.00 0.00 175.10 174.44 2kbn n ILE 25 N 4.91 1.48 -3.76 2.22 2.08 -1.24 -1.74 119.36 123.29 2kbn n ILE 25 Ca 0.04 -0.40 -0.13 0.00 0.56 0.00 0.00 62.75 62.83 2kbn n ILE 25 Cb 0.48 -1.82 -0.10 0.00 -0.75 0.00 0.00 39.64 37.46 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2kbn s GLN 26 N -2.49 0.50 -0.03 0.38 2.00 -1.25 -4.73 119.66 114.04 2kbn s GLN 26 Ca -0.37 0.19 -0.02 0.00 -2.00 0.00 0.00 55.36 53.16 2kbn s GLN 26 Cb 0.14 0.23 0.02 0.00 0.80 0.00 0.00 33.01 34.20 2kbn s GLN 26 CO 0.49 -0.10 0.07 -0.48 -0.50 0.00 0.00 175.29 174.76 2kbn s LEU 27 N -0.45 1.45 -0.18 3.68 2.34 -1.26 -2.69 118.68 121.57 2kbn s LEU 27 Ca -0.06 0.14 -0.01 0.00 0.06 0.00 0.00 54.13 54.26 2kbn s LEU 27 Cb -0.04 0.19 -0.00 0.00 -0.56 0.00 0.00 46.19 45.78 2kbn s LEU 27 CO 0.02 -0.06 -0.12 0.26 -1.06 0.00 0.00 176.35 175.39 2kbn s TRP 28 N 0.43 2.86 0.38 3.48 0.51 -0.50 -5.00 118.94 121.08 2kbn s TRP 28 Ca -0.03 -1.09 -0.28 0.00 -2.12 0.00 0.00 56.10 52.58 2kbn s TRP 28 Cb -0.05 -1.98 -0.10 0.00 -0.81 0.00 0.00 33.47 30.53 2kbn s TRP 28 CO -0.02 -0.55 1.43 -2.00 -0.51 0.00 0.00 176.95 175.30 2kbn s GLU 29 N 1.14 4.11 -0.07 4.98 2.56 -1.26 -2.66 118.70 127.50 2kbn s GLU 29 Ca 0.01 2.45 0.00 0.00 0.00 0.00 0.00 54.97 57.43 2kbn s GLU 29 Cb -0.14 -2.94 0.02 0.00 2.00 0.00 0.00 34.13 33.07 2kbn s GLU 29 CO -0.04 -0.48 -0.05 1.21 -0.56 0.00 0.00 175.26 175.34 2kbn s ASN 30 N -0.30 1.57 -0.45 -1.70 2.47 -0.91 -4.89 114.94 110.73 2kbn s ASN 30 Ca 0.53 -0.19 0.06 0.00 0.42 0.00 0.00 52.86 53.68 2kbn s ASN 30 Cb -0.44 -0.61 0.41 0.00 -1.45 0.00 0.00 41.25 39.16 2kbn s ASN 30 CO 0.59 -0.10 1.07 0.35 -3.72 0.00 0.00 177.10 175.30 2kbn n THR 31 N 4.54 2.32 0.66 -5.21 -2.24 -1.26 -4.22 114.28 108.88 2kbn n THR 31 Ca -0.17 -4.88 0.09 0.00 -2.27 0.00 0.00 64.05 56.83 2kbn n THR 31 Cb 0.51 -1.12 0.25 0.00 -2.10 0.00 0.00 70.33 67.86 2kbn n THR 31 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2kbn n HIS 32 N -0.40 0.51 0.00 4.78 8.25 -1.26 -4.88 115.22 122.22 2kbn n HIS 32 Ca 0.35 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2kbn n HIS 32 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 2kbn n HIS 32 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2kbn n GLU 33 N 0.81 0.00 -0.08 -0.41 4.07 -1.26 -4.56 120.64 119.20 2kbn n GLU 33 Ca 0.16 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.17 2kbn n GLU 33 Cb 0.40 -2.65 -0.09 0.00 -0.06 0.00 0.00 31.44 29.03 2kbn n GLU 33 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2kbn n SER 34 N 0.00 2.14 -4.04 4.31 2.88 -1.26 -4.90 113.62 112.75 2kbn n SER 34 Ca 0.00 -0.05 -0.29 0.00 -1.33 0.00 0.00 58.87 57.20 2kbn n SER 34 Cb 0.00 0.29 -0.17 0.00 -0.75 0.00 0.00 64.21 63.58 2kbn n SER 34 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kbn s ILE 35 N -2.34 1.51 -0.01 2.46 1.01 -1.26 -4.25 121.20 118.32 2kbn s ILE 35 Ca -0.15 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.62 2kbn s ILE 35 Cb 0.05 -1.40 -0.19 0.00 0.01 0.00 0.00 42.46 40.94 2kbn s ILE 35 CO 0.48 0.45 1.24 -1.28 0.00 0.00 0.00 174.94 175.83 2kbn h SER 36 N 7.63 -0.11 -5.01 3.58 0.87 -1.29 -3.35 113.55 115.87 2kbn h SER 36 Ca -0.33 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 59.80 2kbn h SER 36 Cb 1.16 0.03 -0.17 0.00 -0.44 0.00 0.00 62.40 62.98 2kbn h SER 36 CO 0.50 0.33 0.09 -1.58 -0.53 0.00 0.00 176.83 175.64 2kbn s GLN 37 N -4.37 1.04 -0.01 2.24 0.74 -1.22 -2.15 119.66 115.93 2kbn s GLN 37 Ca -0.15 -0.08 -0.04 0.00 0.05 0.00 0.00 55.36 55.13 2kbn s GLN 37 Cb 0.02 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.61 2kbn s GLN 37 CO 0.62 -0.36 0.09 0.54 -0.55 0.00 0.00 175.29 175.62 2kbn s VAL 38 N -2.07 0.05 0.00 1.34 0.11 -1.09 -1.29 120.40 117.46 2kbn s VAL 38 Ca -0.07 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 2kbn s VAL 38 Cb -0.01 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2kbn s VAL 38 CO 0.02 -0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 2kbn n GLY 39 N 2.15 1.32 3.07 6.54 0.00 -1.10 -1.42 105.19 115.76 2kbn n GLY 39 Ca -0.19 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 2.24 -0.10 0.99 0.05 -1.09 -1.94 118.68 118.84 2kbn s LEU 40 Ca 0.00 -0.53 0.03 0.00 0.05 0.00 0.00 54.13 53.68 2kbn s LEU 40 Cb 0.00 -0.21 -0.01 0.00 -2.05 0.00 0.00 46.19 43.92 2kbn s LEU 40 CO 0.00 -0.17 -0.19 -0.76 -0.55 0.00 0.00 176.35 174.67 2kbn s LEU 41 N -1.52 2.38 0.65 1.48 1.43 -0.63 -3.66 118.68 118.81 2kbn s LEU 41 Ca -0.08 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2kbn s LEU 41 Cb -0.10 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2kbn s LEU 41 CO 0.01 0.20 1.05 -0.83 0.23 0.00 0.00 176.35 177.00 2kbn s GLY 42 N 0.13 1.64 -0.24 -3.19 0.00 0.12 -2.50 107.32 103.28 2kbn s GLY 42 Ca -0.10 -0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.09 2kbn s GLY 42 CO 0.06 0.06 1.08 -0.35 0.00 0.00 0.00 173.10 173.95 2kbn s ASP 43 N -4.27 -0.35 0.41 1.64 -1.08 -0.15 -2.68 116.67 110.19 2kbn s ASP 43 Ca 0.56 0.56 0.27 0.00 -0.52 0.00 0.00 52.55 53.43 2kbn s ASP 43 Cb -0.11 0.53 1.50 0.00 -1.46 0.00 0.00 42.92 43.38 2kbn s ASP 43 CO 0.52 -0.20 1.84 1.05 0.52 0.00 0.00 175.17 178.90 2kbn h GLU 44 N 3.34 0.00 -0.00 4.34 4.11 -1.88 0.41 114.58 124.90 2kbn h GLU 44 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 2kbn h GLU 44 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kbn h GLU 44 CO 0.20 0.00 -0.44 0.25 0.07 0.00 0.00 179.01 179.08 2kbn n THR 45 N -2.47 0.00 0.00 -1.06 -2.24 -1.26 -5.05 114.28 102.21 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 0.05 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.80 3.21 3.38 0.00 0.14 -4.58 105.19 109.59 2kbn n GLY 46 Ca 0.08 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.50 1.38 -0.03 -0.61 -4.36 -1.26 -0.98 121.20 111.84 2kbn s ILE 47 Ca 0.00 -1.30 -0.02 0.00 -0.26 0.00 0.00 60.65 59.07 2kbn s ILE 47 Cb 0.00 -1.26 0.01 0.00 1.25 0.00 0.00 42.46 42.46 2kbn s ILE 47 CO 0.00 -0.06 0.06 -0.51 0.24 0.00 0.00 174.94 174.67 2kbn s ILE 48 N -1.08 -0.01 0.49 8.37 2.07 -1.04 -5.01 121.20 125.00 2kbn s ILE 48 Ca 0.03 0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.19 2kbn s ILE 48 Cb -0.09 -0.10 -0.06 0.00 0.13 0.00 0.00 42.46 42.34 2kbn s ILE 48 CO 0.03 0.01 0.87 -0.54 -1.91 0.00 0.00 174.94 173.40 2kbn s LYS 49 N 0.19 3.73 -0.01 3.50 1.02 -1.26 -1.60 119.74 125.31 2kbn s LYS 49 Ca -0.01 0.58 -0.13 0.00 0.02 0.00 0.00 55.97 56.42 2kbn s LYS 49 Cb -0.02 -2.27 0.02 0.00 -0.52 0.00 0.00 37.83 35.04 2kbn s LYS 49 CO -0.01 -0.23 0.27 -0.59 -0.92 0.00 0.00 175.35 173.87 2kbn s PHE 50 N -2.67 -0.13 -0.06 3.18 -0.71 -0.82 -2.56 117.98 114.21 2kbn s PHE 50 Ca 0.53 0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.59 2kbn s PHE 50 Cb -0.10 0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.79 2kbn s PHE 50 CO 0.39 -0.38 -0.10 0.99 -1.34 0.00 0.00 175.22 174.78 2kbn s THR 51 N -1.45 0.97 -0.22 -4.49 2.01 -0.83 -2.69 115.64 108.93 2kbn s THR 51 Ca -0.13 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 2kbn s THR 51 Cb -0.05 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 2kbn s THR 51 CO 0.03 0.32 0.10 -0.63 -0.69 0.00 0.00 174.62 173.75 2kbn s ILE 52 N 0.74 4.84 0.16 1.82 1.01 -0.42 -1.44 121.20 127.92 2kbn s ILE 52 Ca -0.14 -0.00 -0.21 0.00 0.00 0.00 0.00 60.65 60.31 2kbn s ILE 52 Cb -0.15 -3.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.01 2kbn s ILE 52 CO 0.03 0.39 0.68 0.26 0.00 0.00 0.00 174.94 176.29 2kbn s TRP 53 N 0.93 3.76 -0.65 3.97 0.52 -0.24 -1.12 118.94 126.10 2kbn s TRP 53 Ca 0.05 1.39 0.17 0.00 0.02 0.00 0.00 56.10 57.73 2kbn s TRP 53 Cb -0.14 -2.60 0.77 0.00 -1.15 0.00 0.00 33.47 30.35 2kbn s TRP 53 CO 0.03 0.46 1.52 1.63 0.02 0.00 0.00 176.95 180.62 2kbn n LYS 54 N 1.23 0.10 -0.20 4.98 5.02 -1.26 -2.32 118.16 125.71 2kbn n LYS 54 Ca -0.06 0.43 -0.05 0.00 -2.02 0.00 0.00 58.31 56.61 2kbn n LYS 54 Cb 0.50 -1.73 0.11 0.00 -0.02 0.00 0.00 35.03 33.89 2kbn n LYS 54 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2kbn h ASN 55 N 0.00 0.94 -0.52 4.39 2.35 -1.91 -2.62 115.58 118.21 2kbn h ASN 55 Ca 0.00 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 2kbn h ASN 55 Cb 0.21 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2kbn h ASN 55 CO 0.00 0.92 0.18 0.00 -1.65 0.00 0.00 177.43 176.88 2kbn h ALA 56 N 1.20 1.25 -5.90 -0.83 0.00 -1.61 -3.43 119.26 109.94 2kbn h ALA 56 Ca 0.20 -0.18 -0.39 0.00 0.00 0.00 0.00 54.91 54.54 2kbn h ALA 56 Cb 0.35 -0.23 0.10 0.00 0.00 0.00 0.00 17.79 18.02 2kbn h ALA 56 CO 0.00 0.53 -0.77 0.39 0.00 0.00 0.00 179.25 179.40 2kbn n GLU 57 N -4.30 -6.20 -4.15 0.00 1.02 -0.99 -4.78 120.64 101.24 2kbn n GLU 57 Ca 0.04 0.74 -0.27 0.00 -0.02 0.00 0.00 57.16 57.66 2kbn n GLU 57 Cb 0.20 -5.61 -0.07 0.00 -0.02 0.00 0.00 31.44 25.94 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 -6.73 3.49 0.56 -4.62 1.43 -1.26 -5.09 118.68 106.45 2kbn s LEU 58 Ca 0.18 -0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 52.80 2kbn s LEU 58 Cb -0.08 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 2kbn s LEU 58 CO 0.77 0.10 1.07 -2.65 0.23 0.00 0.00 176.35 175.87 2kbn n PRO 59 N -0.03 1.17 -2.31 1.29 -0.02 -1.26 -4.95 135.00 128.89 2kbn n PRO 59 Ca -0.09 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.45 2kbn n PRO 59 Cb 0.54 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 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 -2.14 4.18 0.40 2.45 1.43 -1.26 -5.00 118.68 118.74 2kbn s LEU 60 Ca 0.73 2.33 -0.23 0.00 -1.03 0.00 0.00 54.13 55.92 2kbn s LEU 60 Cb -0.44 -4.04 -0.10 0.00 0.03 0.00 0.00 46.19 41.64 2kbn s LEU 60 CO 0.49 -0.67 1.00 -0.76 0.23 0.00 0.00 176.35 176.64 2kbn s LEU 61 N -2.52 4.08 0.38 1.79 1.02 -1.26 -5.04 118.68 117.13 2kbn s LEU 61 Ca 0.57 1.89 -0.07 0.00 0.02 0.00 0.00 54.13 56.54 2kbn s LEU 61 Cb -0.30 -4.30 -0.05 0.00 0.02 0.00 0.00 46.19 41.56 2kbn s LEU 61 CO 0.38 -0.42 0.70 -1.61 0.02 0.00 0.00 176.35 175.41 2kbn s GLU 62 N -2.69 3.68 0.10 1.70 0.41 -1.26 -5.05 118.70 115.58 2kbn s GLU 62 Ca 0.59 0.24 -0.26 0.00 -0.41 0.00 0.00 54.97 55.13 2kbn s GLU 62 Cb -0.17 -2.48 -0.06 0.00 -1.78 0.00 0.00 34.13 29.64 2kbn s GLU 62 CO 0.22 0.02 0.81 -1.14 -0.49 0.00 0.00 175.26 174.68 2kbn s GLN 63 N -3.94 4.57 0.00 1.61 -0.44 -1.26 -3.45 119.66 116.75 2kbn s GLN 63 Ca 0.48 1.18 0.00 0.00 -2.50 0.00 0.00 55.36 54.51 2kbn s GLN 63 Cb -0.10 -3.34 0.00 0.00 -1.64 0.00 0.00 33.01 27.93 2kbn s GLN 63 CO 0.33 0.35 0.00 0.41 0.50 0.00 0.00 175.29 176.89 2kbn n GLY 64 N 2.13 0.91 3.72 2.59 0.00 -0.71 -5.02 105.19 108.80 2kbn n GLY 64 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.11 2.84 0.28 1.61 0.41 -1.22 -4.86 118.70 117.65 2kbn s GLU 65 Ca 0.00 -0.62 -0.16 0.00 -0.41 0.00 0.00 54.97 53.78 2kbn s GLU 65 Cb 0.00 -2.71 -0.09 0.00 -1.78 0.00 0.00 34.13 29.56 2kbn s GLU 65 CO 0.00 0.61 0.71 -1.12 -0.49 0.00 0.00 175.26 174.97 2kbn s SER 66 N -1.84 6.84 0.02 -0.19 0.01 -1.26 -2.68 113.70 114.60 2kbn s SER 66 Ca 0.23 1.29 -0.03 0.00 1.31 0.00 0.00 55.95 58.75 2kbn s SER 66 Cb -0.12 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 2kbn s SER 66 CO 0.14 -0.12 0.03 -0.31 0.41 0.00 0.00 173.24 173.39 2kbn s TYR 67 N -1.84 0.19 -0.21 2.43 2.02 -0.96 -2.64 117.35 116.35 2kbn s TYR 67 Ca 0.50 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.75 2kbn s TYR 67 Cb -0.12 -0.15 -0.01 0.00 -0.40 0.00 0.00 41.96 41.29 2kbn s TYR 67 CO 0.19 -0.23 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.69 2kbn s LEU 68 N -1.50 2.79 -0.21 -1.29 2.96 -0.71 -2.83 118.68 117.87 2kbn s LEU 68 Ca -0.15 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 2kbn s LEU 68 Cb -0.08 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2kbn s LEU 68 CO -0.01 -0.01 0.11 -0.76 -1.32 0.00 0.00 176.35 174.37 2kbn s LEU 69 N 1.38 3.94 -0.09 -0.68 1.43 0.56 -2.59 118.68 122.63 2kbn s LEU 69 Ca 0.05 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 2kbn s LEU 69 Cb -0.14 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.05 2kbn s LEU 69 CO -0.04 0.11 -0.18 -0.13 0.23 0.00 0.00 176.35 176.33 2kbn s ARG 70 N 0.78 2.45 -0.06 1.70 0.52 -0.76 -0.79 118.95 122.80 2kbn s ARG 70 Ca 0.06 -0.67 -0.00 0.00 -0.52 0.00 0.00 55.73 54.60 2kbn s ARG 70 Cb -0.13 -1.93 -0.00 0.00 0.52 0.00 0.00 34.95 33.40 2kbn s ARG 70 CO 0.02 0.08 0.05 0.45 0.02 0.00 0.00 175.30 175.92 2kbn n SER 71 N 3.76 -2.34 -4.37 0.23 2.88 -1.25 -2.04 113.62 110.49 2kbn n SER 71 Ca -0.20 -0.02 -0.19 0.00 -1.33 0.00 0.00 58.87 57.12 2kbn n SER 71 Cb 0.52 -1.06 -0.10 0.00 -0.75 0.00 0.00 64.21 62.82 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 -3.01 1.42 -0.05 2.46 -7.23 -1.07 -4.51 120.40 108.40 2kbn s VAL 72 Ca 0.01 -2.10 0.06 0.00 -1.81 0.00 0.00 61.98 58.14 2kbn s VAL 72 Cb -0.00 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 2kbn s VAL 72 CO 0.05 -0.40 -0.23 0.54 -0.31 0.00 0.00 175.10 174.75 2kbn s VAL 73 N -3.17 1.88 -0.35 1.32 0.11 -1.23 -2.63 120.40 116.33 2kbn s VAL 73 Ca 0.27 -0.97 -0.21 0.00 -2.93 0.00 0.00 61.98 58.14 2kbn s VAL 73 Cb 0.04 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 2kbn s VAL 73 CO 0.09 0.53 0.67 -0.69 -3.33 0.00 0.00 175.10 172.37 2kbn s VAL 74 N -0.09 4.86 0.67 2.04 1.01 -0.35 -2.04 120.40 126.49 2kbn s VAL 74 Ca -0.04 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 2kbn s VAL 74 Cb -0.13 -4.10 0.09 0.00 0.00 0.00 0.00 36.38 32.23 2kbn s VAL 74 CO 0.03 -0.33 0.93 -0.83 0.00 0.00 0.00 175.10 174.90 2kbn s GLY 75 N 1.79 1.78 -0.30 4.51 0.00 0.16 0.18 107.32 115.43 2kbn s GLY 75 Ca 0.26 -1.50 -0.11 0.00 0.00 0.00 0.00 44.72 43.36 2kbn s GLY 75 CO 0.15 -1.04 0.20 1.85 0.00 0.00 0.00 173.10 174.25 2kbn s GLU 76 N -5.04 3.69 0.29 2.90 2.12 -1.26 -2.66 118.70 118.75 2kbn s GLU 76 Ca 0.63 -0.50 0.06 0.00 0.36 0.00 0.00 54.97 55.52 2kbn s GLU 76 Cb -0.07 -3.69 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 2kbn s GLU 76 CO 0.43 -0.31 0.37 -0.47 -0.54 0.00 0.00 175.26 174.74 2kbn s TYR 77 N 1.72 3.20 -0.51 5.30 6.14 -0.28 -4.89 117.35 128.04 2kbn s TYR 77 Ca 0.06 -0.15 -0.30 0.00 0.64 0.00 0.00 57.07 57.32 2kbn s TYR 77 Cb -0.17 -1.75 -0.11 0.00 0.42 0.00 0.00 41.96 40.36 2kbn s TYR 77 CO 0.10 0.24 2.38 -1.71 0.64 0.00 0.00 175.55 177.19 2kbn n ASN 78 N -1.47 1.97 -1.03 4.32 2.85 -1.26 -0.89 115.26 119.75 2kbn n ASN 78 Ca -0.04 -0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.30 2kbn n ASN 78 Cb 0.58 -1.35 -0.05 0.00 1.24 0.00 0.00 39.78 40.20 2kbn n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kbn n ASP 79 N 12.47 -5.02 -0.75 1.20 2.03 -1.26 -4.87 116.55 120.35 2kbn n ASP 79 Ca 0.43 0.31 0.00 0.00 0.52 0.00 0.00 54.79 56.05 2kbn n ASP 79 Cb 0.33 -3.96 0.00 0.00 -0.72 0.00 0.00 41.12 36.77 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 -1.20 0.00 -4.24 -0.67 1.74 -0.07 -5.18 116.66 107.05 2kbn n ARG 80 Ca -0.12 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.75 2kbn n ARG 80 Cb 0.55 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.87 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 -4.28 1.51 0.03 -1.55 0.08 -1.26 -1.12 117.98 111.38 2kbn s PHE 81 Ca 0.00 -0.46 -0.08 0.00 0.12 0.00 0.00 56.93 56.51 2kbn s PHE 81 Cb 0.00 -0.82 -0.00 0.00 -0.57 0.00 0.00 43.02 41.63 2kbn s PHE 81 CO 0.00 0.15 0.15 -1.14 -0.10 0.00 0.00 175.22 174.28 2kbn s GLN 82 N -2.05 0.59 -0.13 0.44 0.74 -1.09 -4.36 119.66 113.81 2kbn s GLN 82 Ca 0.04 -0.58 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 2kbn s GLN 82 Cb -0.09 0.24 -0.02 0.00 1.10 0.00 0.00 33.01 34.25 2kbn s GLN 82 CO 0.03 -0.16 -0.11 0.14 -0.55 0.00 0.00 175.29 174.65 2kbn s VAL 83 N -2.17 3.22 -0.14 1.34 -7.23 -1.06 0.36 120.40 114.72 2kbn s VAL 83 Ca -0.08 -0.61 -0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2kbn s VAL 83 Cb -0.03 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2kbn s VAL 83 CO -0.02 0.52 -0.09 -1.10 -0.31 0.00 0.00 175.10 174.11 2kbn s GLN 84 N 0.27 3.52 -0.28 4.82 -0.21 -0.86 -1.97 119.66 124.95 2kbn s GLN 84 Ca -0.08 -0.61 -0.09 0.00 0.02 0.00 0.00 55.36 54.60 2kbn s GLN 84 Cb -0.15 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.06 2kbn s GLN 84 CO 0.05 0.23 0.14 0.08 -2.12 0.00 0.00 175.29 173.66 2kbn s VAL 85 N 0.36 4.77 0.00 1.09 1.01 -0.52 -3.55 120.40 123.56 2kbn s VAL 85 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2kbn s VAL 85 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2kbn s VAL 85 CO 0.04 0.24 0.00 -0.46 0.00 0.00 0.00 175.10 174.93 2kbn n ASN 86 N 4.99 0.00 0.00 3.32 2.04 -1.26 -1.08 115.26 123.27 2kbn n ASN 86 Ca -0.15 -0.69 0.00 0.00 -0.44 0.00 0.00 54.58 53.30 2kbn n ASN 86 Cb 0.51 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.76 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 0.00 0.00 -2.48 -3.83 4.81 -1.26 -2.60 118.16 112.80 2kbn n LYS 87 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2kbn n LYS 87 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 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 2.76 -1.21 -4.69 3.14 2.85 -1.26 -4.09 115.26 112.76 2kbn n ASN 88 Ca 0.00 -1.86 -0.44 0.00 -0.11 0.00 0.00 54.58 52.18 2kbn n ASN 88 Cb 0.00 0.79 -0.02 0.00 1.24 0.00 0.00 39.78 41.79 2kbn n ASN 88 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2kbn n SER 89 N -0.63 2.88 -4.76 1.20 2.88 -1.07 -4.93 113.62 109.19 2kbn n SER 89 Ca -0.15 1.16 -0.39 0.00 -1.33 0.00 0.00 58.87 58.16 2kbn n SER 89 Cb 0.72 -1.46 -0.06 0.00 -0.75 0.00 0.00 64.21 62.66 2kbn n SER 89 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kbn s SER 90 N 0.15 7.56 -0.06 -3.46 0.15 -0.86 -4.88 113.70 112.30 2kbn s SER 90 Ca 0.64 1.95 0.02 0.00 0.70 0.00 0.00 55.95 59.27 2kbn s SER 90 Cb -0.61 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.11 2kbn s SER 90 CO 0.53 0.09 -0.13 -0.63 1.20 0.00 0.00 173.24 174.30 2kbn s ILE 91 N -1.26 1.16 -0.06 6.45 1.01 -1.26 -1.83 121.20 125.41 2kbn s ILE 91 Ca 0.43 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.60 2kbn s ILE 91 Cb -0.25 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.17 2kbn s ILE 91 CO 0.31 0.36 -0.14 -0.70 0.00 0.00 0.00 174.94 174.77 2kbn s GLU 92 N 0.59 1.81 0.04 2.79 2.56 -1.07 -4.96 118.70 120.46 2kbn s GLU 92 Ca -0.13 -0.47 -0.29 0.00 0.00 0.00 0.00 54.97 54.08 2kbn s GLU 92 Cb -0.15 -1.49 -0.04 0.00 2.00 0.00 0.00 34.13 34.45 2kbn s GLU 92 CO 0.04 0.07 0.91 0.21 -0.56 0.00 0.00 175.26 175.92 2kbn s LYS 93 N 0.55 4.59 -0.18 4.30 2.20 -1.26 -1.74 119.74 128.20 2kbn s LYS 93 Ca -0.14 1.32 -0.07 0.00 -0.36 0.00 0.00 55.97 56.72 2kbn s LYS 93 Cb -0.15 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2kbn s LYS 93 CO 0.04 0.11 0.07 -0.51 -0.36 0.00 0.00 175.35 174.70 2kbn s LEU 94 N 0.46 3.88 0.00 5.43 1.43 -1.08 -4.96 118.68 123.84 2kbn s LEU 94 Ca 0.47 0.12 0.13 0.00 -1.03 0.00 0.00 54.13 53.82 2kbn s LEU 94 Cb -0.21 -1.98 0.63 0.00 0.03 0.00 0.00 46.19 44.66 2kbn s LEU 94 CO 0.27 0.20 1.43 -0.24 0.23 0.00 0.00 176.35 178.23 2kbn n SER 95 N 3.36 0.64 -3.99 2.29 2.88 -1.26 -4.31 113.62 113.24 2kbn n SER 95 Ca -0.17 -1.72 -0.32 0.00 -1.33 0.00 0.00 58.87 55.34 2kbn n SER 95 Cb 0.52 -0.06 -0.13 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.88 2.11 0.55 -1.46 0.41 -1.26 -5.10 118.70 112.07 2kbn s GLU 96 Ca 0.21 -2.57 -0.20 0.00 -0.41 0.00 0.00 54.97 52.00 2kbn s GLU 96 Cb 0.10 -3.42 -0.06 0.00 -1.78 0.00 0.00 34.13 28.97 2kbn s GLU 96 CO 0.16 -1.12 1.10 -2.30 -0.49 0.00 0.00 175.26 172.61 2kbn n PRO 97 N 3.26 1.22 -3.66 0.39 -0.02 -1.26 -4.87 135.00 130.06 2kbn n PRO 97 Ca 0.06 0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 2kbn n PRO 97 Cb 0.34 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.45 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 5.37 0.01 4.25 1.01 -1.26 -5.05 121.20 124.13 2kbn s ILE 98 Ca 0.72 0.24 -0.18 0.00 0.00 0.00 0.00 60.65 61.44 2kbn s ILE 98 Cb -0.44 -3.51 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 2kbn s ILE 98 CO 0.49 0.38 0.51 -1.83 0.00 0.00 0.00 174.94 174.49 2kbn s GLU 99 N 0.77 4.14 -0.01 2.79 1.03 -1.26 -4.88 118.70 121.28 2kbn s GLU 99 Ca 0.09 0.60 0.16 0.00 0.03 0.00 0.00 54.97 55.84 2kbn s GLU 99 Cb -0.13 -3.27 -0.21 0.00 -0.80 0.00 0.00 34.13 29.72 2kbn s GLU 99 CO 0.02 0.56 0.49 1.33 -1.33 0.00 0.00 175.26 176.33 2kbn n VAL 100 N 2.14 0.00 -3.05 1.83 0.24 -1.26 -4.70 118.33 113.53 2kbn n VAL 100 Ca -0.11 -0.26 -0.44 0.00 -2.04 0.00 0.00 64.34 61.49 2kbn n VAL 100 Cb 0.51 0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 33.38 2kbn n VAL 100 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kbn s GLY 101 N -3.18 1.78 0.00 7.63 0.00 -1.26 -4.82 107.32 107.46 2kbn s GLY 101 Ca -0.00 -2.31 0.26 0.00 0.00 0.00 0.00 44.72 42.67 2kbn s GLY 101 CO 0.64 1.71 1.58 1.04 0.00 0.00 0.00 173.10 178.08 2kbn n LEU 102 N 6.47 0.78 -3.78 0.66 7.99 -1.26 -4.92 117.00 122.94 2kbn n LEU 102 Ca -0.02 -0.13 -0.29 0.00 -0.01 0.00 0.00 56.01 55.55 2kbn n LEU 102 Cb 0.44 -0.17 0.02 0.00 -0.11 0.00 0.00 43.42 43.60 2kbn n LEU 102 CO 0.57 0.15 0.07 -0.62 -1.51 0.00 0.00 177.39 176.05 2kbn n GLU 103 N -0.94 -4.98 -2.21 3.23 -0.58 -1.26 -4.88 120.64 109.02 2kbn n GLU 103 Ca 0.11 0.59 -0.41 0.00 -0.42 0.00 0.00 57.16 57.02 2kbn n GLU 103 Cb 0.33 -5.44 -0.03 0.00 -0.57 0.00 0.00 31.44 25.74 2kbn n GLU 103 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kbn s HIS 104 N -3.22 3.24 0.13 -0.32 2.46 -1.23 -4.93 115.29 111.42 2kbn s HIS 104 Ca 0.60 1.22 -0.14 0.00 0.47 0.00 0.00 55.06 57.22 2kbn s HIS 104 Cb -0.30 -3.61 -0.01 0.00 -0.13 0.00 0.00 32.58 28.52 2kbn s HIS 104 CO 0.74 -1.91 1.58 1.25 -2.47 0.00 0.00 174.74 173.93 2kbn h HIS 105 N 5.27 0.85 -0.54 3.88 2.76 -2.02 -3.06 115.15 122.29 2kbn h HIS 105 Ca -0.45 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 57.56 2kbn h HIS 105 Cb 1.21 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.93 2kbn h HIS 105 CO 0.62 0.84 0.31 1.25 -1.30 0.00 0.00 177.93 179.64 2kbn h HIS 106 N 0.61 0.72 -3.36 5.26 -0.00 -2.02 -3.41 115.15 112.96 2kbn h HIS 106 Ca 0.12 -0.01 -0.56 0.00 -0.00 0.00 0.00 60.37 59.92 2kbn h HIS 106 Cb 0.51 -0.23 -0.34 0.00 -0.00 0.00 0.00 27.41 27.35 2kbn h HIS 106 CO 0.04 0.52 -0.83 -1.58 -0.00 0.00 0.00 177.93 176.08 2kbn s HIS 107 N -5.91 1.78 0.17 5.26 5.65 -1.15 -5.13 115.29 115.96 2kbn s HIS 107 Ca -0.13 -0.73 -0.14 0.00 0.25 0.00 0.00 55.06 54.31 2kbn s HIS 107 Cb 0.12 -1.27 0.01 0.00 -1.18 0.00 0.00 32.58 30.26 2kbn s HIS 107 CO 0.76 -0.36 0.40 -3.38 -0.65 0.00 0.00 174.74 171.51 2kbn s HIS 108 N 0.72 0.07 0.00 3.88 -0.00 -1.25 -3.54 115.29 115.18 2kbn s HIS 108 Ca -0.13 -0.43 0.00 0.00 -0.00 0.00 0.00 55.06 54.50 2kbn s HIS 108 Cb -0.16 0.19 0.00 0.00 -0.00 0.00 0.00 32.58 32.61 2kbn s HIS 108 CO 0.03 -0.80 0.00 -2.39 -0.00 0.00 0.00 174.74 171.58