#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbn n ASP 2 N 0.00 0.00 0.00 0.00 5.68 -1.26 -4.94 116.55 116.04 2bbn n ASP 2 Ca 0.00 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 2bbn n ASP 2 Cb 0.00 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.01 2bbn n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bbn n GLN 3 N 0.00 0.47 0.00 0.11 6.02 -1.26 -1.99 117.38 120.73 2bbn n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2bbn n GLN 3 Cb 0.31 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.54 2bbn n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2bbn n LEU 4 N -0.53 0.00 0.00 1.08 4.32 -1.26 -4.94 117.00 115.67 2bbn n LEU 4 Ca 0.01 -0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2bbn n LEU 4 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2bbn n LEU 4 CO 0.01 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.53 2bbn n THR 5 N -0.63 0.00 -3.71 -5.08 -2.24 -0.84 -5.00 114.28 96.77 2bbn n THR 5 Ca 0.00 0.18 -0.23 0.00 -2.27 0.00 0.00 64.05 61.73 2bbn n THR 5 Cb 0.00 -1.15 0.03 0.00 -2.10 0.00 0.00 70.33 67.11 2bbn n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn n GLU 6 N -1.82 -3.91 0.16 -0.78 1.02 -1.14 -4.91 120.64 109.26 2bbn n GLU 6 Ca 0.00 0.57 -0.09 0.00 -0.02 0.00 0.00 57.16 57.62 2bbn n GLU 6 Cb 0.00 -4.94 -0.05 0.00 -0.02 0.00 0.00 31.44 26.43 2bbn n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2bbn h GLU 7 N -1.82 -0.47 0.09 3.49 4.81 -1.94 -2.76 114.58 115.98 2bbn h GLU 7 Ca -0.62 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.63 2bbn h GLU 7 Cb 1.36 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.85 2bbn h GLU 7 CO 0.55 -0.25 -0.04 1.96 -0.73 0.00 0.00 179.01 180.50 2bbn h GLN 8 N -1.09 -0.12 -0.93 1.92 4.20 -2.00 -2.75 115.11 114.35 2bbn h GLN 8 Ca -0.05 0.01 0.28 0.00 0.06 0.00 0.00 58.65 58.94 2bbn h GLN 8 Cb 0.44 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 28.09 2bbn h GLN 8 CO 0.08 0.42 0.31 0.82 -0.67 0.00 0.00 178.83 179.79 2bbn h ILE 9 N -0.83 0.24 0.04 2.54 2.04 -1.97 0.16 117.51 119.72 2bbn h ILE 9 Ca -0.01 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2bbn h ILE 9 Cb 0.59 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2bbn h ILE 9 CO 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 178.15 178.19 2bbn h ALA 10 N 1.85 -0.05 -0.81 1.87 0.00 -1.52 -2.41 119.26 118.18 2bbn h ALA 10 Ca 0.63 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.55 2bbn h ALA 10 Cb 1.36 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 19.02 2bbn h ALA 10 CO -0.69 -0.38 -0.21 0.93 0.00 0.00 0.00 179.25 178.89 2bbn h GLU 11 N -0.34 -0.01 -0.30 0.00 4.39 -0.39 0.38 114.58 118.30 2bbn h GLU 11 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2bbn h GLU 11 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2bbn h GLU 11 CO 0.01 -0.00 0.17 0.74 -1.16 0.00 0.00 179.01 178.76 2bbn h PHE 12 N -0.01 0.41 -0.96 4.33 0.04 -1.36 -2.26 116.94 117.14 2bbn h PHE 12 Ca 0.38 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 61.29 2bbn h PHE 12 Cb 0.59 -0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.51 2bbn h PHE 12 CO -0.65 0.33 0.57 -0.22 -0.60 0.00 0.00 178.31 177.75 2bbn h LYS 13 N 0.37 0.79 -0.14 1.51 3.64 0.13 -0.67 116.57 122.20 2bbn h LYS 13 Ca 0.11 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2bbn h LYS 13 Cb 0.05 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2bbn h LYS 13 CO -0.02 0.52 0.03 0.93 -2.27 0.00 0.00 179.45 178.65 2bbn h GLU 14 N 0.81 0.09 -0.92 1.90 5.08 -0.23 -1.73 114.58 119.58 2bbn h GLU 14 Ca 0.52 -0.01 0.27 0.00 -1.00 0.00 0.00 59.36 59.14 2bbn h GLU 14 Cb 0.68 -0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.76 2bbn h GLU 14 CO -0.33 0.06 0.32 0.00 -1.00 0.00 0.00 179.01 178.06 2bbn h ALA 15 N 1.10 1.48 0.68 3.43 0.00 -0.81 0.69 119.26 125.82 2bbn h ALA 15 Ca 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2bbn h ALA 15 Cb 0.05 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2bbn h ALA 15 CO -0.08 -0.52 -0.33 0.74 0.00 0.00 0.00 179.25 179.06 2bbn h PHE 16 N 0.21 -0.84 -1.33 0.00 0.04 -1.13 0.18 116.94 114.07 2bbn h PHE 16 Ca 0.62 -0.02 0.40 0.00 2.80 0.00 0.00 57.97 61.77 2bbn h PHE 16 Cb 1.31 0.28 -0.10 0.00 2.20 0.00 0.00 35.95 39.64 2bbn h PHE 16 CO -0.21 -0.52 0.90 0.77 -0.60 0.00 0.00 178.31 178.65 2bbn h SER 17 N -0.92 0.21 1.06 2.17 0.02 -0.54 1.81 113.55 117.36 2bbn h SER 17 Ca -0.09 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 2bbn h SER 17 Cb 0.70 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 2bbn h SER 17 CO 0.15 -0.06 -0.99 0.25 -1.14 0.00 0.00 176.83 175.04 2bbn h LEU 18 N 0.12 0.00 -3.83 5.07 5.85 -0.75 -3.29 115.31 118.48 2bbn h LEU 18 Ca 0.74 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 59.09 2bbn h LEU 18 Cb 2.46 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 43.27 2bbn h LEU 18 CO -0.25 0.48 0.44 0.33 -0.34 0.00 0.00 178.44 179.10 2bbn n PHE 19 N -3.00 2.64 -3.66 1.25 -0.00 0.59 -4.69 117.46 110.58 2bbn n PHE 19 Ca -0.04 -1.56 -0.27 0.00 -0.00 0.00 0.00 57.45 55.58 2bbn n PHE 19 Cb 0.77 -0.80 -0.10 0.00 -0.00 0.00 0.00 39.48 39.34 2bbn n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2bbn n ASP 20 N -0.75 3.00 -0.33 -2.13 -0.08 0.46 -4.92 116.55 111.81 2bbn n ASP 20 Ca 0.50 -3.24 0.30 0.00 -1.51 0.00 0.00 54.79 50.84 2bbn n ASP 20 Cb 1.50 -0.71 0.64 0.00 2.34 0.00 0.00 41.12 44.89 2bbn n ASP 20 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2bbn h LYS 21 N 4.88 0.17 0.00 -0.67 1.79 -1.88 -3.26 116.57 117.60 2bbn h LYS 21 Ca 0.17 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2bbn h LYS 21 Cb 0.73 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2bbn h LYS 21 CO 0.73 0.11 0.00 -0.40 -1.08 0.00 0.00 179.45 178.82 2bbn n ASP 22 N -4.40 0.00 0.00 0.86 5.68 -1.26 -5.06 116.55 112.37 2bbn n ASP 22 Ca 0.26 0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 2bbn n ASP 22 Cb 1.09 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 2bbn n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 23 N 1.99 0.00 0.13 6.12 0.00 -1.23 -5.06 105.19 107.14 2bbn n GLY 23 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2bbn n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bbn n ASP 24 N 0.00 1.97 -0.08 1.61 5.68 -1.26 -5.02 116.55 119.44 2bbn n ASP 24 Ca 0.00 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 2bbn n ASP 24 Cb 0.00 -0.74 0.00 0.00 -1.14 0.00 0.00 41.12 39.24 2bbn n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 25 N 1.68 1.20 2.75 6.12 0.00 -1.26 -5.04 105.19 110.64 2bbn n GLY 25 Ca -0.45 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 2bbn n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbn s THR 26 N -2.17 -0.14 -0.34 2.61 -4.23 -1.26 -4.01 115.64 106.09 2bbn s THR 26 Ca 0.00 0.36 -0.29 0.00 -1.18 0.00 0.00 61.69 60.58 2bbn s THR 26 Cb 0.00 -0.19 -0.01 0.00 1.34 0.00 0.00 72.50 73.64 2bbn s THR 26 CO 0.00 0.15 1.62 -0.63 -0.54 0.00 0.00 174.62 175.22 2bbn s ILE 27 N 1.95 3.68 0.13 2.99 -1.09 -1.05 -4.82 121.20 123.00 2bbn s ILE 27 Ca 0.01 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 2bbn s ILE 27 Cb -0.12 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 2bbn s ILE 27 CO -0.04 -0.53 0.01 0.28 -1.23 0.00 0.00 174.94 173.43 2bbn s THR 28 N 6.06 0.42 0.63 2.92 -1.32 -1.26 -3.41 115.64 119.68 2bbn s THR 28 Ca 0.71 -1.93 0.20 0.00 -1.21 0.00 0.00 61.69 59.46 2bbn s THR 28 Cb -0.19 -1.97 0.27 0.00 -1.51 0.00 0.00 72.50 69.10 2bbn s THR 28 CO 0.33 -0.59 1.36 0.71 -2.21 0.00 0.00 174.62 174.22 2bbn h THR 29 N 2.84 0.05 0.27 5.08 1.35 -1.86 0.15 112.91 120.79 2bbn h THR 29 Ca -0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 2bbn h THR 29 Cb 1.19 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2bbn h THR 29 CO 0.62 0.00 -0.13 0.50 -0.25 0.00 0.00 175.52 176.26 2bbn h LYS 30 N 0.00 -0.35 -0.32 4.72 3.64 -1.94 0.88 116.57 123.19 2bbn h LYS 30 Ca 0.26 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2bbn h LYS 30 Cb 2.19 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 34.07 2bbn h LYS 30 CO -0.00 -0.24 -0.06 0.93 -2.27 0.00 0.00 179.45 177.81 2bbn h GLU 31 N -0.57 0.52 0.79 1.90 5.08 -1.39 -2.41 114.58 118.49 2bbn h GLU 31 Ca -0.04 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2bbn h GLU 31 Cb 0.28 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2bbn h GLU 31 CO 0.06 0.60 -0.38 1.25 -1.00 0.00 0.00 179.01 179.54 2bbn h LEU 32 N 0.49 -0.90 -0.39 1.33 6.46 -0.87 -2.59 115.31 118.85 2bbn h LEU 32 Ca 0.10 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 2bbn h LEU 32 Cb 0.42 0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 40.49 2bbn h LEU 32 CO 0.02 -0.54 -0.41 1.23 -0.62 0.00 0.00 178.44 178.12 2bbn h GLY 33 N -1.25 -0.51 0.00 3.75 0.00 -0.74 0.35 103.07 104.67 2bbn h GLY 33 Ca -0.11 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2bbn h GLY 33 CO 0.18 -0.19 0.00 -1.30 0.00 0.00 0.00 176.54 175.23 2bbn n THR 34 N -5.42 0.00 -0.23 4.70 -2.24 -0.92 -0.51 114.28 109.67 2bbn n THR 34 Ca -0.00 1.21 -0.00 0.00 -2.27 0.00 0.00 64.05 62.98 2bbn n THR 34 Cb 0.35 -1.81 0.07 0.00 -2.10 0.00 0.00 70.33 66.83 2bbn n THR 34 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2bbn h VAL 35 N 0.00 0.32 -0.47 2.28 2.07 -1.27 -1.14 116.25 118.04 2bbn h VAL 35 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2bbn h VAL 35 Cb 0.00 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.00 2bbn h VAL 35 CO 0.00 0.00 -0.55 0.24 0.02 0.00 0.00 177.57 177.28 2bbn h MET 36 N -0.01 -0.33 -0.93 1.57 2.86 0.44 0.60 114.93 119.13 2bbn h MET 36 Ca 0.32 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 58.16 2bbn h MET 36 Cb 0.49 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.15 2bbn h MET 36 CO -0.69 -0.22 0.60 -0.09 1.06 0.00 0.00 176.91 177.57 2bbn h ARG 37 N -0.34 0.59 -0.89 1.72 2.43 0.38 1.78 114.38 120.05 2bbn h ARG 37 Ca 0.08 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 2bbn h ARG 37 Cb 0.55 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 2bbn h ARG 37 CO -0.62 0.39 0.18 0.43 -1.51 0.00 0.00 179.97 178.84 2bbn n SER 38 N -4.59 3.45 0.05 -3.80 7.64 0.18 -3.66 113.62 112.88 2bbn n SER 38 Ca 0.20 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.40 2bbn n SER 38 Cb 0.58 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2bbn n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2bbn n LEU 39 N -0.03 -0.60 -0.51 -3.43 7.94 0.29 -4.96 117.00 115.71 2bbn n LEU 39 Ca 0.23 0.18 0.09 0.00 -1.11 0.00 0.00 56.01 55.39 2bbn n LEU 39 Cb 0.94 0.80 0.20 0.00 0.53 0.00 0.00 43.42 45.89 2bbn n LEU 39 CO 0.25 -0.42 0.63 0.61 -1.11 0.00 0.00 177.39 177.35 2bbn n GLY 40 N -0.20 4.51 0.37 -3.96 0.00 0.53 -5.04 105.19 101.39 2bbn n GLY 40 Ca 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 44.96 2bbn n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bbn n GLN 41 N -1.00 -0.79 -3.57 1.61 -0.06 0.40 -4.84 117.38 109.14 2bbn n GLN 41 Ca 0.19 0.58 -0.28 0.00 -2.00 0.00 0.00 57.00 55.49 2bbn n GLN 41 Cb 0.78 -0.94 -0.12 0.00 -4.06 0.00 0.00 30.24 25.90 2bbn n GLN 41 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2bbn s ASN 42 N -5.17 2.86 0.01 1.69 -0.87 -1.26 -3.36 114.94 108.84 2bbn s ASN 42 Ca 0.00 -2.85 -0.06 0.00 -1.57 0.00 0.00 52.86 48.38 2bbn s ASN 42 Cb 0.00 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.25 40.44 2bbn s ASN 42 CO 0.00 -0.22 0.91 -0.65 -2.57 0.00 0.00 177.10 174.58 2bbn h PRO 43 N 6.22 -0.20 -4.11 -0.60 0.11 -1.99 -3.46 132.00 127.97 2bbn h PRO 43 Ca 0.13 0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.94 2bbn h PRO 43 Cb 0.91 0.04 -0.29 0.00 0.11 0.00 0.00 31.00 31.77 2bbn h PRO 43 CO 0.43 -0.13 -0.75 0.95 -0.21 0.00 0.00 178.00 178.29 2bbn s THR 44 N -3.12 0.31 0.02 -1.15 -4.23 -1.26 -5.04 115.64 101.17 2bbn s THR 44 Ca -0.03 -0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 60.16 2bbn s THR 44 Cb 0.00 -0.29 -0.22 0.00 1.34 0.00 0.00 72.50 73.33 2bbn s THR 44 CO 0.09 0.10 1.14 -0.08 -0.54 0.00 0.00 174.62 175.33 2bbn h GLU 45 N 6.27 0.48 -1.44 3.99 4.81 -2.01 -3.16 114.58 123.52 2bbn h GLU 45 Ca -0.30 -0.49 0.42 0.00 -0.13 0.00 0.00 59.36 58.86 2bbn h GLU 45 Cb 1.19 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.64 2bbn h GLU 45 CO 0.50 1.13 1.10 0.00 -0.73 0.00 0.00 179.01 181.01 2bbn h ALA 46 N 0.36 3.35 -0.19 2.92 0.00 -1.99 1.10 119.26 124.80 2bbn h ALA 46 Ca -0.08 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 2bbn h ALA 46 Cb 1.35 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2bbn h ALA 46 CO 0.13 -1.84 -0.64 0.93 0.00 0.00 0.00 179.25 177.83 2bbn h GLU 47 N 0.00 0.68 0.00 0.00 4.39 -1.99 -1.80 114.58 115.87 2bbn h GLU 47 Ca 0.68 -0.48 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 2bbn h GLU 47 Cb 2.87 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 31.59 2bbn h GLU 47 CO -0.01 1.11 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.66 2bbn h LEU 48 N 0.50 0.00 0.00 1.33 4.07 0.11 -2.70 115.31 118.62 2bbn h LEU 48 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 2bbn h LEU 48 Cb 1.23 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.97 2bbn h LEU 48 CO 0.13 0.21 -0.06 -0.61 -1.08 0.00 0.00 178.44 177.03 2bbn h GLN 49 N 0.00 0.00 -0.53 1.13 4.15 -1.18 -2.54 115.11 116.13 2bbn h GLN 49 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 2bbn h GLN 49 Cb 0.76 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.39 2bbn h GLN 49 CO 0.03 0.98 0.20 -0.44 -1.93 0.00 0.00 178.83 177.67 2bbn h ASP 50 N -1.00 0.22 -0.35 -0.69 5.19 -1.35 -1.68 116.42 116.76 2bbn h ASP 50 Ca -0.02 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2bbn h ASP 50 Cb 0.99 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.52 2bbn h ASP 50 CO -0.01 0.15 0.16 -0.03 -3.12 0.00 0.00 179.24 176.39 2bbn h MET 51 N 0.39 0.51 -1.05 3.56 4.05 -1.60 -1.72 114.93 119.06 2bbn h MET 51 Ca 0.26 -0.08 0.29 0.00 -0.28 0.00 0.00 59.70 59.89 2bbn h MET 51 Cb 0.28 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.93 2bbn h MET 51 CO -0.25 0.47 0.73 0.82 0.23 0.00 0.00 176.91 178.91 2bbn h ILE 52 N 0.42 0.49 0.01 1.77 5.03 -0.87 0.49 117.51 124.86 2bbn h ILE 52 Ca 0.12 -0.05 -0.24 0.00 -0.12 0.00 0.00 64.86 64.57 2bbn h ILE 52 Cb 0.14 0.34 -0.03 0.00 -3.03 0.00 0.00 36.82 34.24 2bbn h ILE 52 CO -0.01 0.03 -1.25 -1.13 -0.68 0.00 0.00 178.15 175.11 2bbn h ASN 53 N 0.14 0.03 0.00 1.72 -1.24 -0.88 -2.62 115.58 112.72 2bbn h ASN 53 Ca 0.53 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.51 2bbn h ASN 53 Cb 1.84 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.88 2bbn h ASN 53 CO -0.10 1.03 0.00 -0.62 -1.29 0.00 0.00 177.43 176.45 2bbn n GLU 54 N -3.27 0.63 0.00 6.67 1.02 0.17 -3.42 120.64 122.44 2bbn n GLU 54 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2bbn n GLU 54 Cb 0.98 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 2bbn n GLU 54 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2bbn n VAL 55 N 1.17 0.00 -1.56 2.62 3.14 -1.24 -5.03 118.33 117.44 2bbn n VAL 55 Ca 0.00 0.00 -0.53 0.00 -2.96 0.00 0.00 64.34 60.85 2bbn n VAL 55 Cb 0.32 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.03 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2bbn n ASP 56 N -1.27 1.04 0.00 6.55 2.03 -0.99 -4.91 116.55 119.01 2bbn n ASP 56 Ca 0.00 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.44 2bbn n ASP 56 Cb 0.00 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 2bbn n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bbn n ALA 57 N 1.99 0.00 0.26 -1.67 0.00 -1.26 -3.46 120.51 116.36 2bbn n ALA 57 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.79 2bbn n ALA 57 Cb 0.17 0.00 0.90 0.00 0.00 0.00 0.00 19.45 20.52 2bbn n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2bbn h ASP 58 N 0.00 0.00 -1.32 0.00 3.04 -1.97 -3.45 116.42 112.73 2bbn h ASP 58 Ca 0.00 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.70 2bbn h ASP 58 Cb 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.30 2bbn h ASP 58 CO 0.00 0.00 -0.14 0.61 -2.04 0.00 0.00 179.24 177.67 2bbn n GLY 59 N -1.19 0.38 0.15 7.15 0.00 -1.22 -4.93 105.19 105.53 2bbn n GLY 59 Ca -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.42 2bbn n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2bbn h ASN 60 N -0.28 0.00 0.00 1.61 -1.07 -1.89 -3.47 115.58 110.49 2bbn h ASN 60 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.25 2bbn h ASN 60 Cb 1.08 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.33 2bbn h ASN 60 CO 0.13 0.54 0.00 0.61 0.07 0.00 0.00 177.43 178.78 2bbn n GLY 61 N 0.16 1.72 3.23 9.14 0.00 -1.26 -5.10 105.19 113.09 2bbn n GLY 61 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2bbn n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbn s THR 62 N -1.21 0.08 -0.11 2.61 -4.23 -1.26 -4.78 115.64 106.74 2bbn s THR 62 Ca 0.00 -0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 2bbn s THR 62 Cb 0.00 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 2bbn s THR 62 CO 0.00 -0.38 0.09 0.27 -0.54 0.00 0.00 174.62 174.06 2bbn s ILE 63 N -2.31 5.04 0.43 2.99 -4.36 -1.22 -4.98 121.20 116.78 2bbn s ILE 63 Ca -0.07 0.03 0.03 0.00 -0.26 0.00 0.00 60.65 60.39 2bbn s ILE 63 Cb -0.02 -3.17 0.03 0.00 1.25 0.00 0.00 42.46 40.55 2bbn s ILE 63 CO -0.02 0.61 0.26 -0.67 0.24 0.00 0.00 174.94 175.36 2bbn n ASP 64 N 2.09 2.53 -0.37 4.36 2.03 -1.26 -2.53 116.55 123.39 2bbn n ASP 64 Ca -0.19 -2.54 -0.04 0.00 0.52 0.00 0.00 54.79 52.54 2bbn n ASP 64 Cb 0.54 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2bbn n ASP 64 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2bbn h PHE 65 N 0.75 -1.27 -0.42 -0.67 3.57 -1.97 0.69 116.94 117.62 2bbn h PHE 65 Ca -0.29 0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.39 2bbn h PHE 65 Cb 1.00 0.69 -0.06 0.00 2.79 0.00 0.00 35.95 40.37 2bbn h PHE 65 CO 0.00 -0.40 0.07 -1.35 -2.23 0.00 0.00 178.31 174.41 2bbn h PRO 66 N -0.03 0.20 0.00 6.41 0.11 -1.96 0.32 132.00 137.04 2bbn h PRO 66 Ca 0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2bbn h PRO 66 Cb 0.55 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2bbn h PRO 66 CO -0.94 0.13 0.00 0.93 -0.21 0.00 0.00 178.00 177.91 2bbn h GLU 67 N 0.20 0.00 0.05 1.05 5.08 -1.23 -2.60 114.58 117.14 2bbn h GLU 67 Ca 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2bbn h GLU 67 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2bbn h GLU 67 CO -0.28 0.00 -0.02 0.35 -1.00 0.00 0.00 179.01 178.06 2bbn h PHE 68 N 0.00 -0.06 -1.01 4.33 3.57 0.23 -1.95 116.94 122.05 2bbn h PHE 68 Ca 0.00 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 2bbn h PHE 68 Cb 0.56 0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.22 2bbn h PHE 68 CO 0.00 -0.04 0.62 -0.07 -2.23 0.00 0.00 178.31 176.59 2bbn h LEU 69 N -0.28 0.63 -0.74 0.59 -0.00 -1.29 0.46 115.31 114.68 2bbn h LEU 69 Ca -0.01 0.10 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 2bbn h LEU 69 Cb 0.05 -0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 2bbn h LEU 69 CO 0.01 0.16 0.36 0.74 -0.00 0.00 0.00 178.44 179.71 2bbn h THR 70 N 0.58 1.24 -0.69 0.22 2.02 -1.55 0.24 112.91 114.96 2bbn h THR 70 Ca 0.59 -0.67 0.18 0.00 0.77 0.00 0.00 66.41 67.29 2bbn h THR 70 Cb 1.19 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2bbn h THR 70 CO -0.37 0.28 0.49 -0.03 0.37 0.00 0.00 175.52 176.26 2bbn h MET 71 N 1.03 0.13 0.00 6.66 1.85 0.75 1.40 114.93 126.76 2bbn h MET 71 Ca 0.25 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.34 2bbn h MET 71 Cb 0.12 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.12 2bbn h MET 71 CO -0.03 0.09 -0.86 -1.33 -0.40 0.00 0.00 176.91 174.37 2bbn n MET 72 N -4.39 0.35 -0.40 0.39 2.00 -0.51 -3.99 117.12 110.57 2bbn n MET 72 Ca 0.14 0.05 0.07 0.00 0.00 0.00 0.00 57.70 57.95 2bbn n MET 72 Cb 0.67 -1.67 0.19 0.00 0.00 0.00 0.00 33.22 32.41 2bbn n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2bbn n ALA 73 N -1.89 3.13 -1.66 3.04 0.00 0.18 -4.92 120.51 118.39 2bbn n ALA 73 Ca 0.02 -2.94 -0.38 0.00 0.00 0.00 0.00 53.44 50.14 2bbn n ALA 73 Cb 0.46 -0.44 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 2bbn n ALA 73 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2bbn n ARG 74 N -1.20 1.87 -2.86 0.00 1.85 0.43 -4.49 116.66 112.25 2bbn n ARG 74 Ca 0.20 -2.29 -0.01 0.00 -1.00 0.00 0.00 57.85 54.75 2bbn n ARG 74 Cb 0.73 -3.28 -0.01 0.00 -1.05 0.00 0.00 32.46 28.84 2bbn n ARG 74 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2bbn n LYS 75 N 7.46 -2.60 -1.80 2.89 5.02 -1.26 -4.65 118.16 123.23 2bbn n LYS 75 Ca 0.48 2.21 -0.23 0.00 -2.02 0.00 0.00 58.31 58.76 2bbn n LYS 75 Cb 0.43 -3.74 -0.06 0.00 -0.02 0.00 0.00 35.03 31.64 2bbn n LYS 75 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2bbn s MET 76 N -1.18 2.10 0.72 1.97 -1.94 -1.26 -4.92 119.30 114.79 2bbn s MET 76 Ca -0.04 0.27 -0.15 0.00 -1.71 0.00 0.00 55.69 54.06 2bbn s MET 76 Cb 0.00 -4.85 0.03 0.00 2.01 0.00 0.00 34.83 32.03 2bbn s MET 76 CO 0.51 -3.79 1.19 0.15 -0.01 0.00 0.00 175.02 173.07 2bbn s LYS 77 N 7.94 2.25 -1.41 2.03 1.02 -1.26 -4.87 119.74 125.44 2bbn s LYS 77 Ca 0.82 1.68 -0.14 0.00 0.02 0.00 0.00 55.97 58.35 2bbn s LYS 77 Cb -0.11 -1.85 0.07 0.00 -0.52 0.00 0.00 37.83 35.41 2bbn s LYS 77 CO 0.07 -1.73 2.11 -0.25 -0.92 0.00 0.00 175.35 174.63 2bbn n ASP 78 N -2.69 4.19 -3.70 2.83 9.92 -1.26 -4.85 116.55 120.99 2bbn n ASP 78 Ca 0.13 -2.89 -0.16 0.00 -0.53 0.00 0.00 54.79 51.33 2bbn n ASP 78 Cb 0.51 -1.64 -0.16 0.00 -0.64 0.00 0.00 41.12 39.19 2bbn n ASP 78 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2bbn s THR 79 N 2.80 -0.15 0.00 -3.53 2.01 -1.26 -5.12 115.64 110.39 2bbn s THR 79 Ca 0.46 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.77 2bbn s THR 79 Cb 0.12 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.41 2bbn s THR 79 CO -0.06 0.13 0.00 0.47 -0.69 0.00 0.00 174.62 174.47 2bbn n ASP 80 N 4.88 0.00 -2.59 3.53 8.00 -1.26 -5.02 116.55 124.09 2bbn n ASP 80 Ca -0.13 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.33 2bbn n ASP 80 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2bbn n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2bbn n SER 81 N 0.00 -2.63 -3.21 -2.24 2.88 -1.26 -4.83 113.62 102.33 2bbn n SER 81 Ca 0.00 1.41 -0.39 0.00 -1.33 0.00 0.00 58.87 58.56 2bbn n SER 81 Cb 0.00 -4.85 0.02 0.00 -0.75 0.00 0.00 64.21 58.63 2bbn n SER 81 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2bbn n GLU 82 N 1.84 3.94 0.02 -1.46 -0.00 -1.26 -4.67 120.64 119.05 2bbn n GLU 82 Ca -0.31 -3.87 -0.10 0.00 -0.00 0.00 0.00 57.16 52.89 2bbn n GLU 82 Cb 0.47 -2.37 -0.07 0.00 -0.00 0.00 0.00 31.44 29.47 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2bbn h GLU 83 N 3.61 -0.16 -0.68 3.44 5.08 -1.99 -1.83 114.58 122.05 2bbn h GLU 83 Ca 0.55 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.97 2bbn h GLU 83 Cb 0.23 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2bbn h GLU 83 CO 1.29 0.30 0.40 0.93 -1.00 0.00 0.00 179.01 180.93 2bbn h GLU 84 N -0.90 0.74 0.00 2.33 3.07 -1.98 -1.39 114.58 116.45 2bbn h GLU 84 Ca -0.02 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2bbn h GLU 84 Cb 0.53 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2bbn h GLU 84 CO 0.03 0.49 -0.00 0.82 -1.40 0.00 0.00 179.01 178.95 2bbn h ILE 85 N 0.76 1.04 0.04 3.13 5.03 -1.91 -2.59 117.51 123.01 2bbn h ILE 85 Ca 0.29 -0.11 0.03 0.00 -0.12 0.00 0.00 64.86 64.94 2bbn h ILE 85 Cb 0.11 1.12 -0.05 0.00 -3.03 0.00 0.00 36.82 34.96 2bbn h ILE 85 CO -0.14 0.03 -0.37 -0.09 -0.68 0.00 0.00 178.15 176.90 2bbn h ARG 86 N -0.05 -0.53 -0.92 2.37 2.43 -0.84 -0.54 114.38 116.29 2bbn h ARG 86 Ca -0.00 0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.46 2bbn h ARG 86 Cb 0.05 0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 29.58 2bbn h ARG 86 CO 0.00 -0.35 0.37 0.93 -1.51 0.00 0.00 179.97 179.41 2bbn h GLU 87 N -0.55 0.29 -1.00 0.20 3.07 -1.17 1.62 114.58 117.04 2bbn h GLU 87 Ca 0.05 -0.02 0.16 0.00 -0.50 0.00 0.00 59.36 59.05 2bbn h GLU 87 Cb 0.62 -0.07 -0.10 0.00 -0.84 0.00 0.00 28.75 28.36 2bbn h GLU 87 CO -0.27 0.19 0.62 0.00 -1.40 0.00 0.00 179.01 178.16 2bbn h ALA 88 N 1.78 1.61 -0.48 3.43 0.00 -0.70 0.16 119.26 125.06 2bbn h ALA 88 Ca 0.60 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.57 2bbn h ALA 88 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2bbn h ALA 88 CO -0.61 0.07 0.32 0.35 0.00 0.00 0.00 179.25 179.39 2bbn h PHE 89 N 0.87 0.60 -0.52 0.00 3.57 0.27 -2.36 116.94 119.37 2bbn h PHE 89 Ca 0.54 0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.16 2bbn h PHE 89 Cb 0.72 -0.20 -0.10 0.00 2.79 0.00 0.00 35.95 39.16 2bbn h PHE 89 CO -0.00 0.38 -0.08 0.00 -2.23 0.00 0.00 178.31 176.37 2bbn h ARG 90 N 0.65 0.04 -0.89 1.11 3.08 -0.09 0.28 114.38 118.56 2bbn h ARG 90 Ca 0.18 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.36 2bbn h ARG 90 Cb -0.07 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.89 2bbn h ARG 90 CO -0.04 0.02 0.50 0.28 -1.07 0.00 0.00 179.97 179.66 2bbn h VAL 91 N 0.04 0.81 -0.23 2.04 2.07 -0.92 -1.12 116.25 118.95 2bbn h VAL 91 Ca 0.26 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2bbn h VAL 91 Cb 0.40 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2bbn h VAL 91 CO -0.51 0.14 -0.04 -0.26 0.02 0.00 0.00 177.57 176.92 2bbn h PHE 92 N 0.76 0.48 -2.41 1.57 0.04 -0.38 -3.38 116.94 113.62 2bbn h PHE 92 Ca 0.46 -0.10 -0.58 0.00 2.80 0.00 0.00 57.97 60.55 2bbn h PHE 92 Cb 0.56 -0.12 -0.11 0.00 2.20 0.00 0.00 35.95 38.49 2bbn h PHE 92 CO -0.06 0.65 0.87 0.34 -0.60 0.00 0.00 178.31 179.51 2bbn s ASP 93 N -6.00 6.20 0.02 2.17 2.15 0.69 -4.81 116.67 117.09 2bbn s ASP 93 Ca -0.14 -0.78 -0.06 0.00 0.43 0.00 0.00 52.55 52.01 2bbn s ASP 93 Cb 0.07 -2.50 -0.02 0.00 -0.30 0.00 0.00 42.92 40.17 2bbn s ASP 93 CO 0.75 -1.64 1.09 0.50 -0.17 0.00 0.00 175.17 175.71 2bbn h LYS 94 N 9.79 -0.04 0.00 4.34 3.11 -1.75 -3.41 116.57 128.62 2bbn h LYS 94 Ca -0.24 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 2bbn h LYS 94 Cb 1.05 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 2bbn h LYS 94 CO 1.24 -0.03 0.00 -0.40 -2.81 0.00 0.00 179.45 177.46 2bbn n ASP 95 N -3.26 0.00 -2.82 4.20 5.75 -1.26 -4.98 116.55 114.18 2bbn n ASP 95 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 2bbn n ASP 95 Cb 0.05 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.15 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 96 N 0.33 2.37 0.03 6.12 0.00 -1.26 -4.82 105.19 107.96 2bbn n GLY 96 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2bbn n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bbn n ASN 97 N 0.03 0.72 -2.93 1.61 6.94 -1.26 -5.08 115.26 115.28 2bbn n ASN 97 Ca 0.15 -1.45 -0.01 0.00 -0.02 0.00 0.00 54.58 53.25 2bbn n ASN 97 Cb 0.76 -0.03 -0.01 0.00 -2.36 0.00 0.00 39.78 38.14 2bbn n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bbn n GLY 98 N -0.21 -2.07 0.00 4.83 0.00 -1.26 -5.02 105.19 101.47 2bbn n GLY 98 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2bbn n GLY 98 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bbn n PHE 99 N 1.65 0.00 -2.75 1.61 3.72 -1.26 -4.60 117.46 115.83 2bbn n PHE 99 Ca -0.10 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 2bbn n PHE 99 Cb 0.29 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 2bbn n PHE 99 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2bbn s ILE 100 N 0.00 4.51 0.16 4.37 1.01 0.19 -4.94 121.20 126.49 2bbn s ILE 100 Ca 0.00 2.03 0.08 0.00 0.00 0.00 0.00 60.65 62.76 2bbn s ILE 100 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2bbn s ILE 100 CO 0.00 0.33 -0.17 -0.55 0.00 0.00 0.00 174.94 174.55 2bbn s SER 101 N -0.05 2.52 0.37 3.58 0.15 -1.26 -3.34 113.70 115.67 2bbn s SER 101 Ca 0.46 -0.87 0.14 0.00 0.70 0.00 0.00 55.95 56.38 2bbn s SER 101 Cb -0.23 -0.14 0.97 0.00 -1.71 0.00 0.00 66.02 64.91 2bbn s SER 101 CO 0.29 -0.07 1.80 0.00 1.20 0.00 0.00 173.24 176.46 2bbn h ALA 102 N 3.24 2.03 0.25 5.45 0.00 -1.99 -0.09 119.26 128.16 2bbn h ALA 102 Ca -0.41 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2bbn h ALA 102 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2bbn h ALA 102 CO 0.52 -0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.27 2bbn h ALA 103 N 1.62 -0.34 -0.55 0.00 0.00 -1.99 -2.72 119.26 115.28 2bbn h ALA 103 Ca 0.54 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.45 2bbn h ALA 103 Cb 1.17 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 2bbn h ALA 103 CO -0.28 -0.32 -0.51 0.93 0.00 0.00 0.00 179.25 179.07 2bbn h GLU 104 N -1.08 -0.27 -0.01 0.00 5.08 -1.84 -1.40 114.58 115.05 2bbn h GLU 104 Ca -0.03 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2bbn h GLU 104 Cb 0.26 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2bbn h GLU 104 CO 0.06 -0.18 -0.54 1.25 -1.00 0.00 0.00 179.01 178.60 2bbn h LEU 105 N -0.28 -1.66 -0.99 1.33 6.46 -1.16 -1.83 115.31 117.17 2bbn h LEU 105 Ca 0.13 0.19 0.19 0.00 -0.12 0.00 0.00 57.88 58.27 2bbn h LEU 105 Cb 0.56 0.63 -0.19 0.00 -0.73 0.00 0.00 40.66 40.94 2bbn h LEU 105 CO -0.68 -0.52 -0.26 -0.09 -0.62 0.00 0.00 178.44 176.27 2bbn h ARG 106 N -0.67 -0.00 -0.61 1.25 2.43 -0.95 0.63 114.38 116.46 2bbn h ARG 106 Ca 0.01 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2bbn h ARG 106 Cb 0.72 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 2bbn h ARG 106 CO -0.36 -0.00 0.31 1.25 -1.51 0.00 0.00 179.97 179.65 2bbn h HIS 107 N -0.00 0.56 0.00 2.20 2.76 -0.47 0.13 115.15 120.32 2bbn h HIS 107 Ca 0.46 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.48 2bbn h HIS 107 Cb 0.71 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 2bbn h HIS 107 CO -0.77 0.24 -0.89 -0.24 -1.30 0.00 0.00 177.93 174.97 2bbn h VAL 108 N 0.57 1.41 0.00 5.26 3.04 0.02 -2.72 116.25 123.84 2bbn h VAL 108 Ca 0.28 -3.02 0.00 0.00 -1.01 0.00 0.00 66.70 62.95 2bbn h VAL 108 Cb 0.22 2.69 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 2bbn h VAL 108 CO -0.20 0.81 0.00 0.24 -1.01 0.00 0.00 177.57 177.40 2bbn h MET 109 N 0.00 0.00 0.09 4.17 2.07 0.51 -3.21 114.93 118.56 2bbn h MET 109 Ca -0.02 0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.29 2bbn h MET 109 Cb 1.66 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 31.37 2bbn h MET 109 CO 0.11 0.00 -1.71 1.79 1.07 0.00 0.00 176.91 178.17 2bbn h THR 110 N 0.00 0.75 0.00 2.22 1.35 -0.74 -3.33 112.91 113.17 2bbn h THR 110 Ca 0.00 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 2bbn h THR 110 Cb 0.75 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 2bbn h THR 110 CO 0.00 0.69 0.00 -3.20 -0.25 0.00 0.00 175.52 172.76 2bbn n ASN 111 N -3.83 0.00 -0.55 5.36 2.85 -1.03 -2.59 115.26 115.47 2bbn n ASN 111 Ca -0.31 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.17 2bbn n ASN 111 Cb 0.92 -0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.73 2bbn n ASN 111 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2bbn n LEU 112 N -1.20 1.12 0.00 1.20 7.94 -1.21 -4.81 117.00 120.03 2bbn n LEU 112 Ca 0.06 -0.56 0.00 0.00 -1.11 0.00 0.00 56.01 54.39 2bbn n LEU 112 Cb 0.07 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.55 2bbn n LEU 112 CO 0.07 0.26 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 2bbn n GLY 113 N 0.09 2.39 3.84 -3.96 0.00 -1.07 -4.98 105.19 101.50 2bbn n GLY 113 Ca 0.00 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2bbn n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bbn s GLU 114 N 0.00 4.07 -1.10 1.61 2.02 -1.25 -4.99 118.70 119.06 2bbn s GLU 114 Ca 0.00 0.63 -0.03 0.00 0.02 0.00 0.00 54.97 55.59 2bbn s GLU 114 Cb 0.00 -2.84 0.28 0.00 0.10 0.00 0.00 34.13 31.67 2bbn s GLU 114 CO 0.00 0.40 1.79 1.63 0.02 0.00 0.00 175.26 179.10 2bbn n LYS 115 N 0.59 4.94 -0.88 1.61 4.76 -1.26 -4.05 118.16 123.88 2bbn n LYS 115 Ca -0.03 -4.42 -0.35 0.00 -2.87 0.00 0.00 58.31 50.64 2bbn n LYS 115 Cb 0.52 -2.53 0.09 0.00 -1.84 0.00 0.00 35.03 31.26 2bbn n LYS 115 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2bbn n LEU 116 N 0.82 -3.04 0.00 -0.35 4.32 -1.26 -5.00 117.00 112.49 2bbn n LEU 116 Ca 0.42 0.12 -0.08 0.00 -0.02 0.00 0.00 56.01 56.45 2bbn n LEU 116 Cb 0.29 -0.87 0.02 0.00 -1.62 0.00 0.00 43.42 41.24 2bbn n LEU 116 CO 0.62 -4.03 0.12 0.35 -1.22 0.00 0.00 177.39 173.23 2bbn n THR 117 N -3.41 0.00 0.97 -5.08 -2.24 -1.26 -4.89 114.28 98.37 2bbn n THR 117 Ca 0.01 -0.78 0.10 0.00 -2.27 0.00 0.00 64.05 61.11 2bbn n THR 117 Cb 0.61 -0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 68.00 2bbn n THR 117 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2bbn n ASP 118 N -2.59 0.98 0.23 3.42 9.92 -1.26 -4.22 116.55 123.03 2bbn n ASP 118 Ca 0.05 -0.99 -0.13 0.00 -0.53 0.00 0.00 54.79 53.20 2bbn n ASP 118 Cb 0.24 1.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.65 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2bbn h GLU 119 N 0.01 -0.60 0.74 -1.24 4.81 -1.99 -1.54 114.58 114.77 2bbn h GLU 119 Ca 0.00 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2bbn h GLU 119 Cb 0.49 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2bbn h GLU 119 CO 0.00 -0.31 -0.48 0.93 -0.73 0.00 0.00 179.01 178.42 2bbn h GLU 120 N -1.02 -1.11 -0.74 1.92 3.07 -1.99 -1.60 114.58 113.11 2bbn h GLU 120 Ca -0.06 0.08 0.14 0.00 -0.50 0.00 0.00 59.36 59.01 2bbn h GLU 120 Cb 0.58 0.25 -0.14 0.00 -0.84 0.00 0.00 28.75 28.60 2bbn h GLU 120 CO 0.10 -0.74 -0.28 0.28 -1.40 0.00 0.00 179.01 176.97 2bbn h VAL 121 N -1.15 0.16 -0.51 3.13 2.07 -1.73 0.39 116.25 118.62 2bbn h VAL 121 Ca -0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.52 2bbn h VAL 121 Cb 0.93 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 2bbn h VAL 121 CO 0.08 0.00 -0.02 -0.78 0.02 0.00 0.00 177.57 176.87 2bbn h ASP 122 N -0.07 -0.26 0.80 0.57 3.58 -1.02 0.57 116.42 120.59 2bbn h ASP 122 Ca 0.31 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.89 2bbn h ASP 122 Cb 0.57 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2bbn h ASP 122 CO -0.79 -0.09 0.00 -0.33 -2.88 0.00 0.00 179.24 175.15 2bbn h GLU 123 N 0.10 0.00 0.19 0.28 3.07 0.58 -1.96 114.58 116.83 2bbn h GLU 123 Ca 0.25 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.78 2bbn h GLU 123 Cb 0.39 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2bbn h GLU 123 CO -0.44 0.00 -1.62 0.52 -1.40 0.00 0.00 179.01 176.07 2bbn h MET 124 N 0.00 0.40 0.00 2.33 2.86 0.37 -2.76 114.93 118.13 2bbn h MET 124 Ca 0.00 -0.68 -0.05 0.00 -2.06 0.00 0.00 59.70 56.90 2bbn h MET 124 Cb 0.40 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2bbn h MET 124 CO 0.00 1.33 -0.25 0.82 1.06 0.00 0.00 176.91 179.87 2bbn h ILE 125 N 0.04 0.57 0.08 -1.22 2.04 -0.17 -2.74 117.51 116.10 2bbn h ILE 125 Ca -0.32 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 2bbn h ILE 125 Cb 2.05 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 2bbn h ILE 125 CO 0.18 0.24 -0.04 -0.09 0.00 0.00 0.00 178.15 178.45 2bbn h ARG 126 N 0.00 -0.10 -0.03 2.37 2.43 -1.45 -3.06 114.38 114.54 2bbn h ARG 126 Ca -0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2bbn h ARG 126 Cb 0.83 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2bbn h ARG 126 CO 0.03 0.21 0.20 0.93 -1.51 0.00 0.00 179.97 179.83 2bbn h GLU 127 N -0.99 0.00 0.00 0.20 4.39 -1.54 0.46 114.58 117.10 2bbn h GLU 127 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2bbn h GLU 127 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2bbn h GLU 127 CO 0.02 0.00 -0.20 0.00 -1.16 0.00 0.00 179.01 177.66 2bbn h ALA 128 N 1.63 0.89 -1.24 3.43 0.00 -1.51 -3.41 119.26 119.05 2bbn h ALA 128 Ca 0.02 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 54.26 2bbn h ALA 128 Cb 0.41 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2bbn h ALA 128 CO -0.00 0.11 1.30 -0.51 0.00 0.00 0.00 179.25 180.15 2bbn s ASP 129 N -6.15 6.38 0.00 0.00 1.11 0.16 -4.77 116.67 113.40 2bbn s ASP 129 Ca 0.06 -1.10 0.29 0.00 0.18 0.00 0.00 52.55 51.97 2bbn s ASP 129 Cb 0.06 -2.56 1.16 0.00 1.07 0.00 0.00 42.92 42.65 2bbn s ASP 129 CO 0.70 -1.61 1.86 -0.38 1.18 0.00 0.00 175.17 176.91 2bbn n ILE 130 N 6.64 0.00 0.00 0.77 5.41 -1.26 -4.71 119.36 126.21 2bbn n ILE 130 Ca 0.21 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.96 2bbn n ILE 130 Cb 0.50 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 39.09 2bbn n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2bbn n ASP 131 N -1.42 0.00 -2.20 4.38 5.75 -1.26 -5.08 116.55 116.71 2bbn n ASP 131 Ca 0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.85 2bbn n ASP 131 Cb 0.32 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.47 2bbn n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 132 N 5.00 0.48 0.12 6.12 0.00 -1.26 -4.99 105.19 110.66 2bbn n GLY 132 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 2bbn n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bbn n ASP 133 N -0.75 1.65 0.00 1.61 5.75 -1.26 -5.03 116.55 118.52 2bbn n ASP 133 Ca -0.11 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 2bbn n ASP 133 Cb 0.70 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 134 N 1.97 2.10 3.74 6.12 0.00 -1.26 -5.02 105.19 112.83 2bbn n GLY 134 Ca -0.33 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 2bbn n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bbn s GLN 135 N 0.00 0.10 -0.20 1.61 -0.21 -1.26 -4.78 119.66 114.91 2bbn s GLN 135 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 55.36 55.37 2bbn s GLN 135 Cb 0.00 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.27 2bbn s GLN 135 CO 0.00 -2.85 -0.10 0.08 -2.12 0.00 0.00 175.29 170.31 2bbn s VAL 136 N -3.30 2.91 0.00 1.09 1.01 -1.21 -4.97 120.40 115.93 2bbn s VAL 136 Ca 0.69 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2bbn s VAL 136 Cb -0.11 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2bbn s VAL 136 CO 0.55 0.47 0.00 -0.46 0.00 0.00 0.00 175.10 175.65 2bbn n ASN 137 N 4.71 0.00 -0.06 3.32 6.94 -1.26 -0.64 115.26 128.26 2bbn n ASN 137 Ca -0.19 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.24 2bbn n ASN 137 Cb 0.51 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.78 2bbn n ASN 137 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2bbn n TYR 138 N 0.00 0.51 0.48 -2.53 9.36 -1.26 -4.14 117.16 119.57 2bbn n TYR 138 Ca 0.00 0.16 -0.20 0.00 3.32 0.00 0.00 57.90 61.18 2bbn n TYR 138 Cb 0.00 -1.08 -0.10 0.00 -0.63 0.00 0.00 39.34 37.53 2bbn n TYR 138 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2bbn h GLU 139 N 0.01 -1.16 0.00 2.98 4.81 -1.98 -1.56 114.58 117.68 2bbn h GLU 139 Ca -0.45 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2bbn h GLU 139 Cb 2.08 0.26 0.00 0.00 0.63 0.00 0.00 28.75 31.73 2bbn h GLU 139 CO 0.04 -0.77 0.09 0.93 -0.73 0.00 0.00 179.01 178.56 2bbn h GLU 140 N -1.20 0.00 0.15 1.92 5.08 -1.95 -0.50 114.58 118.08 2bbn h GLU 140 Ca -0.12 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.92 2bbn h GLU 140 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2bbn h GLU 140 CO 0.20 0.00 -1.60 0.35 -1.00 0.00 0.00 179.01 176.96 2bbn h PHE 141 N 0.00 0.57 0.00 4.33 3.57 -1.52 -2.41 116.94 121.48 2bbn h PHE 141 Ca 0.00 -0.42 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 2bbn h PHE 141 Cb 0.18 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2bbn h PHE 141 CO 0.00 1.63 -0.15 -0.24 -2.23 0.00 0.00 178.31 177.31 2bbn h VAL 142 N -0.09 0.29 0.22 1.41 3.04 -0.33 -2.84 116.25 117.95 2bbn h VAL 142 Ca -0.33 -1.21 -0.30 0.00 -1.01 0.00 0.00 66.70 63.85 2bbn h VAL 142 Cb 1.93 1.97 0.03 0.00 -2.01 0.00 0.00 31.29 33.21 2bbn h VAL 142 CO 0.12 0.15 -1.33 0.74 -1.01 0.00 0.00 177.57 176.23 2bbn h THR 143 N 0.00 1.30 0.37 3.17 2.02 -1.24 -3.34 112.91 115.20 2bbn h THR 143 Ca -0.00 -2.63 -0.02 0.00 0.77 0.00 0.00 66.41 64.53 2bbn h THR 143 Cb 0.95 3.05 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 2bbn h THR 143 CO 0.02 0.79 -0.18 0.24 0.37 0.00 0.00 175.52 176.76 2bbn h MET 144 N -0.01 -0.48 -3.96 6.66 2.07 -1.38 -3.36 114.93 114.47 2bbn h MET 144 Ca -0.24 0.03 -0.78 0.00 -2.07 0.00 0.00 59.70 56.65 2bbn h MET 144 Cb 2.01 0.11 -0.25 0.00 -1.87 0.00 0.00 31.60 31.60 2bbn h MET 144 CO 0.23 -0.32 0.12 -1.64 1.07 0.00 0.00 176.91 176.36 2bbn s MET 145 N -4.05 3.53 0.00 1.72 -1.94 -1.08 -4.80 119.30 112.69 2bbn s MET 145 Ca -0.07 -2.32 0.25 0.00 -1.71 0.00 0.00 55.69 51.84 2bbn s MET 145 Cb 0.01 -4.45 0.37 0.00 2.01 0.00 0.00 34.83 32.77 2bbn s MET 145 CO 0.22 -1.33 1.33 0.25 -0.01 0.00 0.00 175.02 175.47 2bbn n THR 146 N 4.24 0.00 1.23 2.05 -2.24 -1.25 -3.89 114.28 114.41 2bbn n THR 146 Ca 0.11 -0.24 0.08 0.00 -2.27 0.00 0.00 64.05 61.73 2bbn n THR 146 Cb 0.46 0.93 0.30 0.00 -2.10 0.00 0.00 70.33 69.92 2bbn n THR 146 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2bbn n SER 147 N -0.06 1.48 0.00 3.42 3.41 -1.26 -5.14 113.62 115.47 2bbn n SER 147 Ca 0.12 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 2bbn n SER 147 Cb 0.43 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17