#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 -2.47 -0.33 0.00 8.00 -1.26 -4.82 116.55 115.67 2bbn n ASP 2 Ca 0.00 -0.96 0.12 0.00 0.71 0.00 0.00 54.79 54.67 2bbn n ASP 2 Cb 0.00 -3.13 0.27 0.00 -0.02 0.00 0.00 41.12 38.24 2bbn n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bbn n GLN 3 N -4.45 0.98 0.01 -1.24 6.02 -1.26 -3.80 117.38 113.65 2bbn n GLN 3 Ca -0.08 -0.67 0.11 0.00 -0.01 0.00 0.00 57.00 56.36 2bbn n GLN 3 Cb 0.57 -1.49 0.13 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.43 0.65 -4.76 1.08 4.32 -1.26 -4.88 117.00 111.71 2bbn n LEU 4 Ca 0.12 -0.12 -0.40 0.00 -0.02 0.00 0.00 56.01 55.59 2bbn n LEU 4 Cb 0.38 -0.17 -0.06 0.00 -1.62 0.00 0.00 43.42 41.96 2bbn n LEU 4 CO 0.26 0.14 0.50 0.42 -1.22 0.00 0.00 177.39 177.49 2bbn s THR 5 N -3.03 4.49 0.00 -5.08 -4.23 -1.25 -4.54 115.64 102.00 2bbn s THR 5 Ca 0.09 1.72 0.00 0.00 -1.18 0.00 0.00 61.69 62.32 2bbn s THR 5 Cb 0.17 -4.15 0.00 0.00 1.34 0.00 0.00 72.50 69.86 2bbn s THR 5 CO 0.76 0.46 0.00 -0.62 -0.54 0.00 0.00 174.62 174.67 2bbn n GLU 6 N 2.08 0.00 -0.05 3.99 -0.58 -1.26 -5.01 120.64 119.81 2bbn n GLU 6 Ca -0.04 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.60 2bbn n GLU 6 Cb 0.49 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.33 2bbn n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2bbn h GLU 7 N 0.00 0.29 0.57 3.49 5.08 -2.00 -0.44 114.58 121.57 2bbn h GLU 7 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2bbn h GLU 7 Cb 0.00 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.19 2bbn h GLU 7 CO 0.00 0.21 -0.27 1.96 -1.00 0.00 0.00 179.01 179.91 2bbn h GLN 8 N 0.28 -0.74 -0.82 2.33 1.08 -1.95 -2.56 115.11 112.72 2bbn h GLN 8 Ca 0.08 0.05 0.20 0.00 -1.45 0.00 0.00 58.65 57.53 2bbn h GLN 8 Cb -0.01 0.17 -0.13 0.00 -0.05 0.00 0.00 27.48 27.46 2bbn h GLN 8 CO -0.02 -0.44 0.18 0.82 -0.95 0.00 0.00 178.83 178.42 2bbn h ILE 9 N -0.90 0.37 -0.74 2.54 2.04 -1.94 0.47 117.51 119.35 2bbn h ILE 9 Ca -0.08 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.84 2bbn h ILE 9 Cb 0.63 0.14 -0.09 0.00 -0.74 0.00 0.00 36.82 36.77 2bbn h ILE 9 CO 0.13 0.04 0.32 0.00 0.00 0.00 0.00 178.15 178.64 2bbn h ALA 10 N 1.73 1.04 0.43 1.87 0.00 -0.78 0.23 119.26 123.77 2bbn h ALA 10 Ca 0.49 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 2bbn h ALA 10 Cb 0.93 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2bbn h ALA 10 CO -0.62 -0.16 -0.47 1.49 0.00 0.00 0.00 179.25 179.49 2bbn h GLU 11 N 0.50 -0.88 0.00 0.00 4.57 0.33 -0.03 114.58 119.07 2bbn h GLU 11 Ca 0.39 0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.63 2bbn h GLU 11 Cb 0.54 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2bbn h GLU 11 CO -0.36 -0.59 -0.01 0.74 -1.18 0.00 0.00 179.01 177.62 2bbn h PHE 12 N -0.91 0.00 -0.15 0.92 0.04 -1.14 -2.02 116.94 113.67 2bbn h PHE 12 Ca -0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 2bbn h PHE 12 Cb 0.80 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.95 2bbn h PHE 12 CO -0.26 0.01 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.15 2bbn h LYS 13 N 0.00 0.32 -0.40 1.51 3.64 0.12 -2.71 116.57 119.05 2bbn h LYS 13 Ca -0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2bbn h LYS 13 Cb 0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2bbn h LYS 13 CO 0.00 0.66 0.26 0.93 -2.27 0.00 0.00 179.45 179.04 2bbn h GLU 14 N -0.02 0.54 -0.57 1.90 5.08 -0.35 -2.11 114.58 119.04 2bbn h GLU 14 Ca 0.03 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2bbn h GLU 14 Cb 0.57 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 2bbn h GLU 14 CO 0.02 0.36 0.08 0.00 -1.00 0.00 0.00 179.01 178.48 2bbn h ALA 15 N 1.14 0.63 0.48 3.43 0.00 -1.47 -1.68 119.26 121.79 2bbn h ALA 15 Ca 0.15 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2bbn h ALA 15 Cb -0.05 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bbn h ALA 15 CO -0.03 -0.33 -0.27 0.74 0.00 0.00 0.00 179.25 179.35 2bbn h PHE 16 N 0.21 -0.71 -0.11 0.00 0.04 -1.11 0.02 116.94 115.27 2bbn h PHE 16 Ca 0.30 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.09 2bbn h PHE 16 Cb 0.44 0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 2bbn h PHE 16 CO -0.27 -0.43 0.44 0.77 -0.60 0.00 0.00 178.31 178.22 2bbn h SER 17 N -0.71 0.00 0.38 2.17 0.02 -0.78 0.80 113.55 115.43 2bbn h SER 17 Ca -0.06 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.58 2bbn h SER 17 Cb 0.57 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2bbn h SER 17 CO 0.07 0.00 -1.77 0.25 -1.14 0.00 0.00 176.83 174.24 2bbn h LEU 18 N 0.00 0.18 0.00 5.07 5.85 -0.32 -3.35 115.31 122.73 2bbn h LEU 18 Ca 0.05 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2bbn h LEU 18 Cb 0.93 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2bbn h LEU 18 CO -0.00 1.33 -0.64 0.33 -0.34 0.00 0.00 178.44 179.12 2bbn n PHE 19 N -3.24 0.23 -3.19 1.25 -0.00 0.10 -4.52 117.46 108.10 2bbn n PHE 19 Ca -0.21 0.07 -0.45 0.00 -0.00 0.00 0.00 57.45 56.86 2bbn n PHE 19 Cb 1.05 -0.42 0.00 0.00 -0.00 0.00 0.00 39.48 40.11 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 -1.79 5.53 0.00 -2.13 2.03 0.24 -4.79 116.55 115.65 2bbn n ASP 20 Ca 0.04 -3.06 0.11 0.00 0.52 0.00 0.00 54.79 52.40 2bbn n ASP 20 Cb 0.39 -1.42 0.60 0.00 -0.72 0.00 0.00 41.12 39.97 2bbn n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bbn n LYS 21 N 3.24 0.40 -0.04 -0.67 5.02 -1.26 -3.89 118.16 120.96 2bbn n LYS 21 Ca 0.28 0.06 -0.03 0.00 -2.02 0.00 0.00 58.31 56.59 2bbn n LYS 21 Cb 0.39 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2bbn n ASP 22 N -1.23 0.89 0.00 4.39 5.75 -1.26 -5.05 116.55 120.03 2bbn n ASP 22 Ca 0.12 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 2bbn n ASP 22 Cb 0.16 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 2bbn n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 23 N 1.55 0.21 0.67 6.12 0.00 -1.25 -5.07 105.19 107.43 2bbn n GLY 23 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 0.97 -0.41 1.61 5.75 -1.26 -5.08 116.55 118.14 2bbn n ASP 24 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 2bbn n ASP 24 Cb 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 2bbn n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 25 N 2.72 0.64 3.53 6.12 0.00 -1.26 -5.11 105.19 111.84 2bbn n GLY 25 Ca -0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.94 -0.75 -0.69 2.61 -4.23 -1.26 -4.68 115.64 104.70 2bbn s THR 26 Ca 0.00 0.05 -0.26 0.00 -1.18 0.00 0.00 61.69 60.30 2bbn s THR 26 Cb 0.00 -0.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 2bbn s THR 26 CO 0.00 0.02 1.89 -0.63 -0.54 0.00 0.00 174.62 175.36 2bbn s ILE 27 N 2.61 3.38 0.34 2.99 -1.09 -1.17 -4.80 121.20 123.45 2bbn s ILE 27 Ca -0.06 0.04 0.08 0.00 -2.23 0.00 0.00 60.65 58.48 2bbn s ILE 27 Cb -0.11 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 2bbn s ILE 27 CO -0.17 -0.91 0.11 -0.89 -1.23 0.00 0.00 174.94 171.85 2bbn s THR 28 N 9.41 2.88 -0.50 2.92 2.01 -1.26 -3.41 115.64 127.70 2bbn s THR 28 Ca 0.68 -1.77 0.13 0.00 0.31 0.00 0.00 61.69 61.05 2bbn s THR 28 Cb -0.11 -2.93 0.13 0.00 0.01 0.00 0.00 72.50 69.60 2bbn s THR 28 CO 0.15 -0.18 1.40 0.35 -0.69 0.00 0.00 174.62 175.65 2bbn n THR 29 N -1.10 1.39 -0.03 -0.82 -2.24 -1.26 -0.88 114.28 109.34 2bbn n THR 29 Ca -0.03 0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 62.26 2bbn n THR 29 Cb 0.62 -1.65 -0.11 0.00 -2.10 0.00 0.00 70.33 67.09 2bbn n THR 29 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2bbn h LYS 30 N 0.00 0.01 0.00 -0.78 3.64 -1.94 -0.49 116.57 117.02 2bbn h LYS 30 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2bbn h LYS 30 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2bbn h LYS 30 CO 0.00 0.65 -0.00 0.93 -2.27 0.00 0.00 179.45 178.76 2bbn h GLU 31 N -0.62 -0.01 -0.93 1.90 5.08 -1.64 -2.68 114.58 115.68 2bbn h GLU 31 Ca -0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2bbn h GLU 31 Cb 0.65 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.81 2bbn h GLU 31 CO 0.00 0.65 0.55 1.25 -1.00 0.00 0.00 179.01 180.47 2bbn h LEU 32 N -0.99 0.77 0.41 1.33 6.46 -1.17 -1.55 115.31 120.56 2bbn h LEU 32 Ca -0.00 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2bbn h LEU 32 Cb 0.66 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2bbn h LEU 32 CO 0.00 0.38 -0.20 1.23 -0.62 0.00 0.00 178.44 179.24 2bbn h GLY 33 N 0.84 -0.57 -0.18 3.75 0.00 -1.18 0.85 103.07 106.58 2bbn h GLY 33 Ca 0.48 0.21 0.03 0.00 0.00 0.00 0.00 47.33 48.05 2bbn h GLY 33 CO -0.30 -0.21 -0.37 -0.91 0.00 0.00 0.00 176.54 174.75 2bbn h THR 34 N -0.76 0.00 -0.50 4.70 1.35 -1.04 0.25 112.91 116.92 2bbn h THR 34 Ca -0.06 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.86 2bbn h THR 34 Cb 0.52 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.89 2bbn h THR 34 CO 0.09 0.00 0.23 0.58 -0.25 0.00 0.00 175.52 176.17 2bbn h VAL 35 N -0.33 0.91 -0.61 6.82 2.07 -1.35 -1.81 116.25 121.94 2bbn h VAL 35 Ca 0.03 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2bbn h VAL 35 Cb 0.43 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 2bbn h VAL 35 CO -0.35 0.08 0.18 0.24 0.02 0.00 0.00 177.57 177.74 2bbn h MET 36 N 0.44 0.32 -0.57 1.57 2.86 0.10 0.80 114.93 120.45 2bbn h MET 36 Ca 0.23 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.94 2bbn h MET 36 Cb 0.18 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 2bbn h MET 36 CO -0.19 0.21 0.18 -0.09 1.06 0.00 0.00 176.91 178.08 2bbn h ARG 37 N 0.33 0.33 -0.34 1.72 1.12 0.32 2.42 114.38 120.27 2bbn h ARG 37 Ca 0.32 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.17 2bbn h ARG 37 Cb 0.45 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 2bbn h ARG 37 CO -0.37 0.22 0.00 0.45 -3.11 0.00 0.00 179.97 177.16 2bbn n SER 38 N -5.04 1.73 -2.65 -3.80 2.88 -0.09 -2.22 113.62 104.43 2bbn n SER 38 Ca 0.07 -2.02 -0.01 0.00 -1.33 0.00 0.00 58.87 55.58 2bbn n SER 38 Cb 0.26 -0.23 0.09 0.00 -0.75 0.00 0.00 64.21 63.59 2bbn n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2bbn n LEU 39 N 0.39 -0.33 0.00 2.46 7.94 0.26 -4.92 117.00 122.80 2bbn n LEU 39 Ca 0.10 -3.08 0.00 0.00 -1.11 0.00 0.00 56.01 51.92 2bbn n LEU 39 Cb 0.28 0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2bbn n LEU 39 CO 0.07 1.44 0.00 0.61 -1.11 0.00 0.00 177.39 178.41 2bbn n GLY 40 N -1.13 0.00 2.82 -3.96 0.00 0.76 -4.68 105.19 99.00 2bbn n GLY 40 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 2bbn n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bbn n GLN 41 N 0.00 -2.98 -3.11 1.61 6.02 -0.05 -4.91 117.38 113.96 2bbn n GLN 41 Ca 0.00 2.44 -0.19 0.00 -0.01 0.00 0.00 57.00 59.24 2bbn n GLN 41 Cb 0.00 -3.99 -0.05 0.00 1.02 0.00 0.00 30.24 27.23 2bbn n GLN 41 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bbn n ASN 42 N 1.30 -1.02 0.00 1.08 3.02 -1.26 -4.94 115.26 113.44 2bbn n ASN 42 Ca -0.12 -2.75 0.02 0.00 -0.03 0.00 0.00 54.58 51.71 2bbn n ASN 42 Cb 0.27 0.13 0.11 0.00 -0.61 0.00 0.00 39.78 39.69 2bbn n ASN 42 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2bbn n PRO 43 N 2.03 0.13 -2.97 3.52 -0.02 -1.26 -4.66 135.00 131.77 2bbn n PRO 43 Ca 0.21 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.41 2bbn n PRO 43 Cb 0.54 -1.43 -0.02 0.00 -0.02 0.00 0.00 33.50 32.57 2bbn n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2bbn s THR 44 N -2.00 4.92 0.00 3.45 -4.23 -1.26 -5.01 115.64 111.52 2bbn s THR 44 Ca 0.06 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2bbn s THR 44 Cb 0.03 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2bbn s THR 44 CO 0.04 -0.58 0.00 -0.62 -0.54 0.00 0.00 174.62 172.92 2bbn n GLU 45 N -1.57 0.00 -0.13 3.99 -0.58 -1.26 -4.57 120.64 116.51 2bbn n GLU 45 Ca -0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2bbn n GLU 45 Cb 0.55 -0.68 0.49 0.00 -0.57 0.00 0.00 31.44 31.23 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bbn h ALA 46 N 0.00 2.04 -0.02 0.62 0.00 -1.98 0.44 119.26 120.37 2bbn h ALA 46 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bbn h ALA 46 Cb 0.76 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2bbn h ALA 46 CO 0.00 -0.21 -0.01 0.93 0.00 0.00 0.00 179.25 179.97 2bbn h GLU 47 N 0.43 0.04 -0.02 0.00 4.39 -2.00 -1.37 114.58 116.05 2bbn h GLU 47 Ca 0.32 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.89 2bbn h GLU 47 Cb 0.67 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2bbn h GLU 47 CO -0.10 0.45 -0.53 -0.07 -1.16 0.00 0.00 179.01 177.60 2bbn h LEU 48 N -0.38 0.05 -0.22 1.33 3.38 -1.60 -2.81 115.31 115.06 2bbn h LEU 48 Ca 0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2bbn h LEU 48 Cb 0.44 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2bbn h LEU 48 CO 0.00 0.57 -0.24 -0.61 0.09 0.00 0.00 178.44 178.26 2bbn h GLN 49 N 0.04 0.54 -0.63 1.13 5.75 -0.11 -2.45 115.11 119.38 2bbn h GLN 49 Ca -0.00 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.23 2bbn h GLN 49 Cb 0.95 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.47 2bbn h GLN 49 CO 0.07 0.89 0.39 0.22 -2.65 0.00 0.00 178.83 177.75 2bbn h ASP 50 N 0.23 0.65 -0.34 -0.69 3.58 -1.18 -0.95 116.42 117.72 2bbn h ASP 50 Ca 0.03 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2bbn h ASP 50 Cb 0.80 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2bbn h ASP 50 CO 0.06 0.45 0.21 0.24 -2.88 0.00 0.00 179.24 177.32 2bbn h MET 51 N 0.78 0.48 -0.34 0.28 2.86 -1.43 0.12 114.93 117.67 2bbn h MET 51 Ca 0.25 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.73 2bbn h MET 51 Cb 0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2bbn h MET 51 CO -0.10 0.35 -0.30 0.82 1.06 0.00 0.00 176.91 178.74 2bbn h ILE 52 N 0.49 1.28 0.12 -1.22 5.03 -0.70 -3.16 117.51 119.35 2bbn h ILE 52 Ca 0.13 -1.44 -0.28 0.00 -0.12 0.00 0.00 64.86 63.15 2bbn h ILE 52 Cb -0.00 1.34 0.01 0.00 -3.03 0.00 0.00 36.82 35.14 2bbn h ILE 52 CO -0.02 0.47 -1.22 -1.13 -0.68 0.00 0.00 178.15 175.56 2bbn h ASN 53 N 0.62 0.56 0.00 1.72 -1.24 -0.58 0.70 115.58 117.36 2bbn h ASN 53 Ca 0.07 -0.56 0.00 0.00 0.71 0.00 0.00 56.30 56.52 2bbn h ASN 53 Cb 0.82 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.69 2bbn h ASN 53 CO 0.07 1.41 0.00 1.21 -1.29 0.00 0.00 177.43 178.83 2bbn n GLU 54 N -3.63 0.22 0.00 6.67 2.13 0.32 -2.81 120.64 123.54 2bbn n GLU 54 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2bbn n GLU 54 Cb 1.00 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 31.54 2bbn n GLU 54 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2bbn n VAL 55 N -0.67 0.00 -2.98 6.31 3.14 -1.20 -5.00 118.33 117.93 2bbn n VAL 55 Ca 0.02 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.96 2bbn n VAL 55 Cb 0.01 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.76 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2bbn s ASP 56 N -0.79 6.53 0.00 6.55 2.15 0.23 -4.80 116.67 126.54 2bbn s ASP 56 Ca 0.00 -1.89 0.27 0.00 0.43 0.00 0.00 52.55 51.36 2bbn s ASP 56 Cb 0.00 -2.37 0.90 0.00 -0.30 0.00 0.00 42.92 41.15 2bbn s ASP 56 CO 0.00 -1.07 1.66 0.00 -0.17 0.00 0.00 175.17 175.59 2bbn n ALA 57 N 6.43 2.98 -0.40 3.66 0.00 -1.26 -4.39 120.51 127.53 2bbn n ALA 57 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2bbn n ALA 57 Cb 0.48 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2bbn n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bbn n ASP 58 N -0.79 0.00 0.00 0.00 -0.08 -1.26 -4.98 116.55 109.44 2bbn n ASP 58 Ca 0.13 0.80 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 2bbn n ASP 58 Cb 0.33 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.48 2bbn n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bbn n GLY 59 N -0.81 2.71 0.13 0.27 0.00 -1.26 -4.94 105.19 101.29 2bbn n GLY 59 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.77 2bbn n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bbn n ASN 60 N 0.00 0.35 0.00 1.61 6.94 -1.26 -4.73 115.26 118.17 2bbn n ASN 60 Ca 0.00 0.59 0.00 0.00 -0.02 0.00 0.00 54.58 55.15 2bbn n ASN 60 Cb 0.00 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.84 2bbn n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bbn n GLY 61 N -1.30 0.65 3.38 4.83 0.00 -1.26 -4.99 105.19 106.50 2bbn n GLY 61 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2bbn n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bbn n THR 62 N -2.68 0.00 -3.70 2.61 -2.24 -1.26 -4.77 114.28 102.24 2bbn n THR 62 Ca 0.00 -2.23 -0.37 0.00 -2.27 0.00 0.00 64.05 59.18 2bbn n THR 62 Cb 0.00 1.21 -0.12 0.00 -2.10 0.00 0.00 70.33 69.32 2bbn n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bbn s ILE 63 N -3.16 4.75 0.00 2.28 1.09 -1.22 -4.84 121.20 120.10 2bbn s ILE 63 Ca 0.37 -0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.89 2bbn s ILE 63 Cb 0.01 -3.24 0.00 0.00 -1.06 0.00 0.00 42.46 38.17 2bbn s ILE 63 CO 0.26 0.31 0.00 0.47 -0.10 0.00 0.00 174.94 175.88 2bbn n ASP 64 N 4.92 0.00 -0.09 3.58 8.00 -1.26 -3.07 116.55 128.63 2bbn n ASP 64 Ca -0.15 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.22 2bbn n ASP 64 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 2bbn n ASP 64 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2bbn n PHE 65 N 0.00 0.53 0.02 1.24 3.01 -1.26 -3.95 117.46 117.05 2bbn n PHE 65 Ca 0.00 0.23 -0.10 0.00 1.01 0.00 0.00 57.45 58.59 2bbn n PHE 65 Cb 0.00 -0.78 -0.03 0.00 -0.01 0.00 0.00 39.48 38.65 2bbn n PHE 65 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2bbn h PRO 66 N -1.00 -0.22 -0.33 -1.08 0.11 -2.01 -2.41 132.00 125.06 2bbn h PRO 66 Ca -0.17 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.03 2bbn h PRO 66 Cb 0.96 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.04 2bbn h PRO 66 CO -0.10 -0.15 -0.21 0.93 -0.21 0.00 0.00 178.00 178.26 2bbn h GLU 67 N -0.23 -0.16 -0.54 1.05 5.08 -1.96 -1.83 114.58 115.99 2bbn h GLU 67 Ca 0.08 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2bbn h GLU 67 Cb 0.34 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 2bbn h GLU 67 CO -0.22 -0.11 -0.40 0.35 -1.00 0.00 0.00 179.01 177.63 2bbn h PHE 68 N -0.17 -1.15 -0.62 4.33 3.04 -1.57 0.35 116.94 121.15 2bbn h PHE 68 Ca 0.17 0.07 0.11 0.00 3.98 0.00 0.00 57.97 62.30 2bbn h PHE 68 Cb 0.43 0.58 -0.12 0.00 2.56 0.00 0.00 35.95 39.40 2bbn h PHE 68 CO -0.41 -0.41 -0.33 -0.07 -2.02 0.00 0.00 178.31 175.07 2bbn h LEU 69 N -0.23 -1.14 -1.21 0.59 4.07 -0.97 0.31 115.31 116.73 2bbn h LEU 69 Ca 0.19 0.23 -0.05 0.00 0.08 0.00 0.00 57.88 58.33 2bbn h LEU 69 Cb 0.56 0.58 -0.02 0.00 1.08 0.00 0.00 40.66 42.86 2bbn h LEU 69 CO -0.65 -0.30 0.05 0.74 -1.08 0.00 0.00 178.44 177.19 2bbn h THR 70 N -0.14 1.20 -0.98 0.22 2.02 -0.74 0.66 112.91 115.15 2bbn h THR 70 Ca 0.24 -0.75 0.20 0.00 0.77 0.00 0.00 66.41 66.87 2bbn h THR 70 Cb 0.55 0.86 -0.09 0.00 -1.74 0.00 0.00 68.15 67.72 2bbn h THR 70 CO -0.70 0.27 0.62 -0.03 0.37 0.00 0.00 175.52 176.04 2bbn h MET 71 N 0.57 0.62 0.00 6.66 -1.53 0.35 0.74 114.93 122.34 2bbn h MET 71 Ca 0.13 -0.04 -0.11 0.00 -3.44 0.00 0.00 59.70 56.24 2bbn h MET 71 Cb 0.30 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.19 2bbn h MET 71 CO 0.00 0.41 -2.07 -1.33 0.14 0.00 0.00 176.91 174.06 2bbn n MET 72 N -4.68 0.69 -0.97 0.39 2.81 -0.89 -4.26 117.12 110.21 2bbn n MET 72 Ca 0.22 -0.14 -0.03 0.00 -1.81 0.00 0.00 57.70 55.95 2bbn n MET 72 Cb 0.64 -1.50 0.32 0.00 -0.71 0.00 0.00 33.22 31.97 2bbn n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2bbn n ALA 73 N -2.38 4.38 -1.36 3.04 0.00 0.23 -5.00 120.51 119.42 2bbn n ALA 73 Ca -0.12 -2.15 -0.43 0.00 0.00 0.00 0.00 53.44 50.73 2bbn n ALA 73 Cb 0.72 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 2bbn n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2bbn n ARG 74 N 0.06 0.16 0.17 0.00 5.12 0.25 -4.83 116.66 117.59 2bbn n ARG 74 Ca 0.37 0.06 0.11 0.00 -1.93 0.00 0.00 57.85 56.46 2bbn n ARG 74 Cb 1.32 -1.14 0.09 0.00 -1.16 0.00 0.00 32.46 31.58 2bbn n ARG 74 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2bbn h LYS 75 N 0.59 0.00 -5.29 5.56 1.57 -1.95 -3.44 116.57 113.61 2bbn h LYS 75 Ca -0.36 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.77 2bbn h LYS 75 Cb 1.43 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.50 2bbn h LYS 75 CO 0.50 0.03 -0.71 1.41 -0.57 0.00 0.00 179.45 180.11 2bbn s MET 76 N -3.25 3.54 0.61 3.15 1.75 -1.26 -5.08 119.30 118.76 2bbn s MET 76 Ca 0.04 -0.59 -0.18 0.00 -1.25 0.00 0.00 55.69 53.71 2bbn s MET 76 Cb 0.07 -2.80 -0.08 0.00 2.84 0.00 0.00 34.83 34.85 2bbn s MET 76 CO 0.72 0.21 0.41 1.63 -0.65 0.00 0.00 175.02 177.34 2bbn n LYS 77 N 3.59 0.38 -2.80 4.11 5.02 -1.26 -4.94 118.16 122.26 2bbn n LYS 77 Ca -0.18 0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2bbn n LYS 77 Cb 0.52 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 2bbn n LYS 77 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2bbn s ASP 78 N -1.22 6.43 0.00 4.39 -4.77 -1.26 -4.94 116.67 115.29 2bbn s ASP 78 Ca 0.66 1.04 0.18 0.00 -3.30 0.00 0.00 52.55 51.13 2bbn s ASP 78 Cb -0.42 -2.29 0.99 0.00 -1.09 0.00 0.00 42.92 40.11 2bbn s ASP 78 CO 0.57 -0.45 1.54 1.07 0.70 0.00 0.00 175.17 178.60 2bbn n THR 79 N -1.61 0.30 -2.36 2.11 5.66 -1.26 -4.75 114.28 112.37 2bbn n THR 79 Ca 0.02 0.08 -0.21 0.00 -3.05 0.00 0.00 64.05 60.88 2bbn n THR 79 Cb 0.54 -0.78 0.12 0.00 -1.55 0.00 0.00 70.33 68.66 2bbn n THR 79 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2bbn n ASP 80 N -1.19 0.88 0.00 1.09 8.00 -1.26 -5.11 116.55 118.97 2bbn n ASP 80 Ca 0.11 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.78 2bbn n ASP 80 Cb 0.12 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2bbn n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bbn n SER 81 N -3.12 0.57 0.00 -2.24 7.64 -1.26 -4.96 113.62 110.25 2bbn n SER 81 Ca 0.14 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.07 2bbn n SER 81 Cb 0.50 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.99 2bbn n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2bbn n GLU 82 N 0.00 0.53 0.08 1.43 4.07 -1.26 -2.82 120.64 122.67 2bbn n GLU 82 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 2bbn n GLU 82 Cb 0.00 -1.29 0.06 0.00 -0.06 0.00 0.00 31.44 30.15 2bbn n GLU 82 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2bbn h GLU 83 N 0.00 0.24 -0.45 5.31 4.81 -1.97 -0.47 114.58 122.05 2bbn h GLU 83 Ca 0.00 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 2bbn h GLU 83 Cb 0.00 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2bbn h GLU 83 CO 0.00 0.86 0.30 1.49 -0.73 0.00 0.00 179.01 180.92 2bbn h GLU 84 N 0.17 0.59 0.15 1.92 4.81 -1.93 0.24 114.58 120.53 2bbn h GLU 84 Ca -0.02 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 58.92 2bbn h GLU 84 Cb 1.27 -0.13 0.03 0.00 0.63 0.00 0.00 28.75 30.54 2bbn h GLU 84 CO 0.11 0.39 -1.06 0.82 -0.73 0.00 0.00 179.01 178.54 2bbn h ILE 85 N 0.61 1.38 -0.10 2.32 5.03 -1.77 -2.73 117.51 122.25 2bbn h ILE 85 Ca 0.17 -2.49 0.01 0.00 -0.12 0.00 0.00 64.86 62.42 2bbn h ILE 85 Cb -0.07 2.95 -0.01 0.00 -3.03 0.00 0.00 36.82 36.67 2bbn h ILE 85 CO -0.04 0.73 0.03 -0.09 -0.68 0.00 0.00 178.15 178.11 2bbn h ARG 86 N -0.04 0.08 0.03 2.37 2.43 -0.96 0.94 114.38 119.23 2bbn h ARG 86 Ca -0.17 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 2bbn h ARG 86 Cb 1.80 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.32 2bbn h ARG 86 CO 0.20 0.05 -0.08 1.49 -1.51 0.00 0.00 179.97 180.13 2bbn h GLU 87 N 0.08 -0.15 -0.94 0.20 4.22 -0.62 0.62 114.58 118.00 2bbn h GLU 87 Ca 0.04 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.60 2bbn h GLU 87 Cb 0.03 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 2bbn h GLU 87 CO -0.05 -0.10 0.58 0.00 -2.18 0.00 0.00 179.01 177.26 2bbn h ALA 88 N 0.80 1.38 -0.44 2.92 0.00 -1.22 -0.73 119.26 121.98 2bbn h ALA 88 Ca 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bbn h ALA 88 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2bbn h ALA 88 CO -0.05 0.20 0.19 0.35 0.00 0.00 0.00 179.25 179.93 2bbn h PHE 89 N 0.94 0.65 -0.87 0.00 3.57 -0.04 -2.20 116.94 118.98 2bbn h PHE 89 Ca 0.46 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 62.03 2bbn h PHE 89 Cb 0.42 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 2bbn h PHE 89 CO -0.02 0.55 0.56 -0.09 -2.23 0.00 0.00 178.31 177.08 2bbn h ARG 90 N 0.56 0.76 -0.31 1.11 2.43 0.56 0.69 114.38 120.18 2bbn h ARG 90 Ca 0.15 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2bbn h ARG 90 Cb 0.17 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2bbn h ARG 90 CO -0.01 0.50 -0.17 0.28 -1.51 0.00 0.00 179.97 179.05 2bbn h VAL 91 N 0.78 1.25 -0.29 0.20 2.07 -0.76 -2.63 116.25 116.86 2bbn h VAL 91 Ca 0.42 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 2bbn h VAL 91 Cb 0.54 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2bbn h VAL 91 CO -0.18 0.38 -0.15 -0.26 0.02 0.00 0.00 177.57 177.38 2bbn h PHE 92 N 0.50 0.55 -1.59 1.57 -1.00 -0.39 -3.29 116.94 113.30 2bbn h PHE 92 Ca 0.08 -0.09 -0.75 0.00 2.81 0.00 0.00 57.97 60.02 2bbn h PHE 92 Cb 0.59 -0.15 -0.16 0.00 3.61 0.00 0.00 35.95 39.84 2bbn h PHE 92 CO 0.02 0.64 1.85 -3.47 -1.61 0.00 0.00 178.31 175.73 2bbn n ASP 93 N -4.19 5.13 -0.20 2.17 -0.08 -0.82 -4.82 116.55 113.75 2bbn n ASP 93 Ca 0.00 -3.07 -0.04 0.00 -1.51 0.00 0.00 54.79 50.17 2bbn n ASP 93 Cb 0.34 -1.50 0.02 0.00 2.34 0.00 0.00 41.12 42.32 2bbn n ASP 93 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2bbn h LYS 94 N 6.13 -0.12 -0.82 -0.67 3.64 -1.74 0.79 116.57 123.78 2bbn h LYS 94 Ca 0.37 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.99 2bbn h LYS 94 Cb 0.70 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 2bbn h LYS 94 CO 1.52 -0.08 0.58 0.22 -2.27 0.00 0.00 179.45 179.42 2bbn h ASP 95 N -0.13 0.05 -3.66 4.20 3.58 -1.92 -3.46 116.42 115.07 2bbn h ASP 95 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2bbn h ASP 95 Cb 0.53 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2bbn h ASP 95 CO -0.67 0.02 -0.23 0.61 -2.88 0.00 0.00 179.24 176.09 2bbn n GLY 96 N -1.68 -2.15 2.07 -0.78 0.00 0.28 -5.05 105.19 97.89 2bbn n GLY 96 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2bbn n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bbn n ASN 97 N -0.09 -1.45 0.00 1.61 4.13 -1.26 -5.06 115.26 113.14 2bbn n ASN 97 Ca 0.02 0.62 0.00 0.00 1.68 0.00 0.00 54.58 56.90 2bbn n ASN 97 Cb 0.06 1.51 0.00 0.00 -1.54 0.00 0.00 39.78 39.82 2bbn n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bbn n GLY 98 N 0.58 0.06 2.97 7.41 0.00 -1.26 -5.14 105.19 109.81 2bbn n GLY 98 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2bbn n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bbn s PHE 99 N 0.00 0.27 0.02 1.61 0.08 -1.26 -4.00 117.98 114.70 2bbn s PHE 99 Ca 0.00 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 2bbn s PHE 99 Cb 0.00 -0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 2bbn s PHE 99 CO 0.00 -0.15 0.17 0.42 -0.10 0.00 0.00 175.22 175.56 2bbn s ILE 100 N -1.23 5.23 0.25 0.64 1.01 -1.06 -4.96 121.20 121.09 2bbn s ILE 100 Ca -0.13 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.22 2bbn s ILE 100 Cb -0.08 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 2bbn s ILE 100 CO -0.01 0.25 0.07 -1.20 0.00 0.00 0.00 174.94 174.06 2bbn n SER 101 N 0.74 1.38 0.31 3.58 7.64 -1.26 -3.28 113.62 122.73 2bbn n SER 101 Ca -0.09 -2.31 -0.16 0.00 1.01 0.00 0.00 58.87 57.32 2bbn n SER 101 Cb 0.52 0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 64.20 2bbn n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bbn h ALA 102 N 1.37 -0.80 -0.52 -0.43 0.00 -1.99 -3.02 119.26 113.87 2bbn h ALA 102 Ca -0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2bbn h ALA 102 Cb 0.73 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2bbn h ALA 102 CO 0.32 -0.85 0.22 0.00 0.00 0.00 0.00 179.25 178.94 2bbn h ALA 103 N -0.70 0.67 -0.05 0.00 0.00 -1.99 -2.76 119.26 114.43 2bbn h ALA 103 Ca -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2bbn h ALA 103 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bbn h ALA 103 CO 0.13 0.27 -0.06 0.93 0.00 0.00 0.00 179.25 180.52 2bbn h GLU 104 N 0.70 -0.04 -0.26 0.00 4.39 -1.96 -1.68 114.58 115.74 2bbn h GLU 104 Ca 0.17 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.94 2bbn h GLU 104 Cb 0.18 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.76 2bbn h GLU 104 CO -0.02 -0.03 -0.36 1.25 -1.16 0.00 0.00 179.01 178.70 2bbn h LEU 105 N -0.04 -1.15 -1.17 1.33 6.46 -1.56 0.12 115.31 119.29 2bbn h LEU 105 Ca 0.01 0.18 0.43 0.00 -0.12 0.00 0.00 57.88 58.38 2bbn h LEU 105 Cb 0.06 0.50 -0.15 0.00 -0.73 0.00 0.00 40.66 40.35 2bbn h LEU 105 CO -0.07 -0.36 0.71 -1.14 -0.62 0.00 0.00 178.44 176.96 2bbn n ARG 106 N -5.42 -0.04 -0.07 1.25 0.00 -0.85 0.18 116.66 111.71 2bbn n ARG 106 Ca -0.02 1.23 -0.14 0.00 -0.00 0.00 0.00 57.85 58.92 2bbn n ARG 106 Cb 0.34 -2.33 -0.06 0.00 0.00 0.00 0.00 32.46 30.41 2bbn n ARG 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2bbn h HIS 107 N 0.00 0.72 -0.30 -0.14 3.86 -0.08 -1.04 115.15 118.17 2bbn h HIS 107 Ca 0.82 -0.24 -0.17 0.00 -1.16 0.00 0.00 60.37 59.63 2bbn h HIS 107 Cb 2.47 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 30.79 2bbn h HIS 107 CO -0.01 0.96 -0.47 0.28 0.86 0.00 0.00 177.93 179.55 2bbn h VAL 108 N 0.27 1.28 0.00 2.45 2.07 0.22 -2.67 116.25 119.87 2bbn h VAL 108 Ca 0.02 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2bbn h VAL 108 Cb 0.88 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2bbn h VAL 108 CO 0.07 0.54 0.00 -0.03 0.02 0.00 0.00 177.57 178.17 2bbn h MET 109 N 0.64 0.00 0.16 1.57 -1.53 -0.31 -3.14 114.93 112.31 2bbn h MET 109 Ca 0.03 0.00 -0.22 0.00 -3.44 0.00 0.00 59.70 56.07 2bbn h MET 109 Cb 1.05 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 32.12 2bbn h MET 109 CO 0.10 0.00 -0.99 1.15 0.14 0.00 0.00 176.91 177.31 2bbn h THR 110 N 0.00 1.42 0.00 -0.77 2.02 -0.87 -3.21 112.91 111.50 2bbn h THR 110 Ca 0.00 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.63 2bbn h THR 110 Cb 0.54 3.12 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2bbn h THR 110 CO 0.00 0.73 0.00 0.59 0.37 0.00 0.00 175.52 177.21 2bbn n ASN 111 N -4.04 0.00 0.05 4.18 5.03 -1.04 -2.31 115.26 117.13 2bbn n ASN 111 Ca -0.16 -0.85 -0.02 0.00 0.87 0.00 0.00 54.58 54.42 2bbn n ASN 111 Cb 0.88 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.56 2bbn n ASN 111 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2bbn h LEU 112 N 0.00 0.00 0.00 3.41 3.38 -1.63 -3.49 115.31 116.97 2bbn h LEU 112 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bbn h LEU 112 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bbn h LEU 112 CO 0.00 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.82 2bbn n GLY 113 N 1.38 1.48 3.88 0.83 0.00 -0.98 -5.11 105.19 106.67 2bbn n GLY 113 Ca -0.07 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 3.47 -0.16 1.61 2.02 -1.26 -5.05 118.70 119.33 2bbn s GLU 114 Ca 0.00 0.54 -0.08 0.00 0.02 0.00 0.00 54.97 55.45 2bbn s GLU 114 Cb 0.00 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2bbn s GLU 114 CO 0.00 -0.54 0.11 0.15 0.02 0.00 0.00 175.26 175.00 2bbn s LYS 115 N -5.08 3.76 0.29 1.61 -0.14 -1.26 -4.66 119.74 114.25 2bbn s LYS 115 Ca 0.53 -0.22 0.09 0.00 -1.36 0.00 0.00 55.97 55.01 2bbn s LYS 115 Cb -0.11 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 2bbn s LYS 115 CO 0.51 0.52 0.06 -0.51 -0.76 0.00 0.00 175.35 175.17 2bbn s LEU 116 N -0.30 3.28 0.09 3.17 1.02 -1.26 -5.11 118.68 119.56 2bbn s LEU 116 Ca 0.10 -0.64 -0.20 0.00 0.02 0.00 0.00 54.13 53.42 2bbn s LEU 116 Cb -0.12 -1.79 -0.07 0.00 0.02 0.00 0.00 46.19 44.24 2bbn s LEU 116 CO 0.01 -0.09 0.59 0.42 0.02 0.00 0.00 176.35 177.30 2bbn s THR 117 N -2.33 4.70 0.62 5.49 -4.23 -1.26 -4.92 115.64 113.70 2bbn s THR 117 Ca 0.33 1.25 0.29 0.00 -1.18 0.00 0.00 61.69 62.38 2bbn s THR 117 Cb -0.05 -3.91 0.34 0.00 1.34 0.00 0.00 72.50 70.22 2bbn s THR 117 CO 0.21 0.53 1.91 -0.78 -0.54 0.00 0.00 174.62 175.95 2bbn h ASP 118 N 4.44 0.00 -0.61 3.99 3.58 -1.99 0.21 116.42 126.04 2bbn h ASP 118 Ca -0.49 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.93 2bbn h ASP 118 Cb 1.21 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.23 2bbn h ASP 118 CO 0.64 0.00 0.28 -0.08 -2.88 0.00 0.00 179.24 177.20 2bbn h GLU 119 N 0.00 0.92 0.28 0.28 4.81 -1.99 -0.39 114.58 118.49 2bbn h GLU 119 Ca 0.12 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2bbn h GLU 119 Cb 0.95 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2bbn h GLU 119 CO -0.00 0.73 -0.14 1.49 -0.73 0.00 0.00 179.01 180.36 2bbn h GLU 120 N 0.91 -0.37 -0.27 1.92 4.81 -0.97 -2.62 114.58 117.99 2bbn h GLU 120 Ca 0.22 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 2bbn h GLU 120 Cb 0.14 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 2bbn h GLU 120 CO -0.02 -0.24 -0.15 0.28 -0.73 0.00 0.00 179.01 178.14 2bbn h VAL 121 N -0.45 0.54 -0.95 0.32 2.07 -1.62 -1.24 116.25 114.93 2bbn h VAL 121 Ca -0.04 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.74 2bbn h VAL 121 Cb 0.29 0.54 -0.17 0.00 -1.52 0.00 0.00 31.29 30.43 2bbn h VAL 121 CO 0.06 0.00 0.05 -0.78 0.02 0.00 0.00 177.57 176.93 2bbn h ASP 122 N -0.12 -0.41 0.41 0.57 1.82 -1.11 1.95 116.42 119.52 2bbn h ASP 122 Ca 0.15 0.26 -0.08 0.00 -0.39 0.00 0.00 57.03 56.97 2bbn h ASP 122 Cb 0.34 0.45 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 2bbn h ASP 122 CO -0.35 -0.32 -0.39 -0.08 -1.61 0.00 0.00 179.24 176.50 2bbn h GLU 123 N 0.04 0.00 -0.07 0.28 4.81 -0.84 -1.27 114.58 117.53 2bbn h GLU 123 Ca 0.58 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.57 2bbn h GLU 123 Cb 1.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.56 2bbn h GLU 123 CO -0.86 0.39 -0.88 0.52 -0.73 0.00 0.00 179.01 177.45 2bbn h MET 124 N 0.00 0.65 -0.01 1.92 2.86 0.35 -2.79 114.93 117.91 2bbn h MET 124 Ca -0.00 -0.60 -0.18 0.00 -2.06 0.00 0.00 59.70 56.86 2bbn h MET 124 Cb 0.69 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 2bbn h MET 124 CO 0.05 1.21 -0.79 0.82 1.06 0.00 0.00 176.91 179.26 2bbn h ILE 125 N 0.41 1.50 0.38 -1.22 2.04 -0.44 -2.83 117.51 117.35 2bbn h ILE 125 Ca -0.08 -2.53 -0.02 0.00 1.00 0.00 0.00 64.86 63.24 2bbn h ILE 125 Cb 1.51 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 2bbn h ILE 125 CO 0.17 0.73 -0.18 -0.09 0.00 0.00 0.00 178.15 178.78 2bbn h ARG 126 N 0.07 -0.49 -0.18 2.37 1.12 -1.25 -2.83 114.38 113.20 2bbn h ARG 126 Ca -0.02 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 58.93 2bbn h ARG 126 Cb 1.39 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 31.45 2bbn h ARG 126 CO 0.11 -0.32 0.39 1.05 -3.11 0.00 0.00 179.97 178.09 2bbn h GLU 127 N -0.63 0.00 0.65 0.20 -0.00 -1.61 -1.95 114.58 111.23 2bbn h GLU 127 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.28 2bbn h GLU 127 Cb 0.39 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.14 2bbn h GLU 127 CO 0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 179.01 178.78 2bbn h ALA 128 N 1.40 -0.87 -2.16 1.06 0.00 -1.26 -3.41 119.26 114.02 2bbn h ALA 128 Ca 0.09 -0.21 -0.57 0.00 0.00 0.00 0.00 54.91 54.22 2bbn h ALA 128 Cb 0.86 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2bbn h ALA 128 CO -0.00 -0.89 0.92 0.34 0.00 0.00 0.00 179.25 179.62 2bbn s ASP 129 N -4.53 6.92 -0.20 0.00 2.15 -0.73 -4.87 116.67 115.40 2bbn s ASP 129 Ca -0.16 1.75 0.18 0.00 0.43 0.00 0.00 52.55 54.75 2bbn s ASP 129 Cb 0.02 -2.54 -0.25 0.00 -0.30 0.00 0.00 42.92 39.86 2bbn s ASP 129 CO 0.52 -0.77 0.07 -0.38 -0.17 0.00 0.00 175.17 174.43 2bbn n ILE 130 N 5.36 1.37 0.20 4.11 5.41 -1.26 -4.60 119.36 129.95 2bbn n ILE 130 Ca 0.14 -0.85 -0.08 0.00 1.00 0.00 0.00 62.75 62.97 2bbn n ILE 130 Cb 0.45 -0.47 -0.04 0.00 -0.71 0.00 0.00 39.64 38.87 2bbn n ILE 130 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2bbn h ASP 131 N 0.00 -0.44 0.00 4.38 3.32 -1.97 -3.48 116.42 118.23 2bbn h ASP 131 Ca -0.54 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.52 2bbn h ASP 131 Cb 2.23 0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.89 2bbn h ASP 131 CO 0.03 -0.30 0.00 0.61 -1.72 0.00 0.00 179.24 177.86 2bbn n GLY 132 N -1.06 0.00 0.01 2.75 0.00 -1.26 -5.09 105.19 100.54 2bbn n GLY 132 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 2bbn n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bbn h ASP 133 N 0.00 0.00 0.00 1.61 5.19 -1.92 -3.50 116.42 117.80 2bbn h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bbn h ASP 133 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2bbn h ASP 133 CO 0.00 0.12 0.00 0.61 -3.12 0.00 0.00 179.24 176.85 2bbn n GLY 134 N 1.81 2.86 4.00 2.75 0.00 -1.26 -5.12 105.19 110.23 2bbn n GLY 134 Ca -0.01 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 2bbn n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bbn s GLN 135 N 0.00 2.99 -0.23 1.61 0.00 -1.26 -4.83 119.66 117.94 2bbn s GLN 135 Ca 0.00 -1.11 -0.11 0.00 -0.00 0.00 0.00 55.36 54.13 2bbn s GLN 135 Cb 0.00 -2.79 -0.05 0.00 0.00 0.00 0.00 33.01 30.17 2bbn s GLN 135 CO 0.00 -0.09 0.19 0.08 0.00 0.00 0.00 175.29 175.48 2bbn s VAL 136 N -2.25 5.34 0.51 3.63 1.01 -1.21 -4.91 120.40 122.52 2bbn s VAL 136 Ca 0.49 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.82 2bbn s VAL 136 Cb -0.10 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.79 2bbn s VAL 136 CO 0.32 0.34 0.60 0.20 0.00 0.00 0.00 175.10 176.56 2bbn s ASN 137 N 0.98 5.14 0.40 3.32 0.01 -1.26 -2.55 114.94 120.97 2bbn s ASN 137 Ca 0.09 -0.80 0.07 0.00 -0.71 0.00 0.00 52.86 51.51 2bbn s ASN 137 Cb -0.13 -0.05 0.82 0.00 0.41 0.00 0.00 41.25 42.29 2bbn s ASN 137 CO 0.04 -1.04 2.02 0.22 -1.51 0.00 0.00 177.10 176.83 2bbn h TYR 138 N 0.54 0.50 0.00 2.20 3.20 -1.99 -2.45 116.97 118.96 2bbn h TYR 138 Ca -0.35 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.51 2bbn h TYR 138 Cb 1.29 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2bbn h TYR 138 CO 0.54 0.36 0.00 0.39 -1.64 0.00 0.00 178.16 177.81 2bbn n GLU 139 N -4.43 0.00 -0.23 1.82 1.02 -1.26 -1.25 120.64 116.31 2bbn n GLU 139 Ca 0.02 0.43 0.01 0.00 -0.02 0.00 0.00 57.16 57.60 2bbn n GLU 139 Cb 0.10 -1.29 0.08 0.00 -0.02 0.00 0.00 31.44 30.32 2bbn n GLU 139 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbn h GLU 140 N 0.00 0.02 -0.89 3.49 5.08 -1.96 0.23 114.58 120.55 2bbn h GLU 140 Ca 0.00 -0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.60 2bbn h GLU 140 Cb 0.00 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 2bbn h GLU 140 CO 0.00 0.01 0.30 0.35 -1.00 0.00 0.00 179.01 178.68 2bbn h PHE 141 N 0.02 0.47 -0.26 4.33 3.04 -1.31 0.36 116.94 123.60 2bbn h PHE 141 Ca 0.33 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.31 2bbn h PHE 141 Cb 0.52 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 2bbn h PHE 141 CO -0.51 -0.17 0.07 0.28 -2.02 0.00 0.00 178.31 175.97 2bbn h VAL 142 N 0.26 1.20 0.00 1.41 2.07 0.85 -0.11 116.25 121.95 2bbn h VAL 142 Ca 0.57 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2bbn h VAL 142 Cb 1.14 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2bbn h VAL 142 CO -0.62 0.22 -0.02 0.74 0.02 0.00 0.00 177.57 177.90 2bbn h THR 143 N 0.25 0.10 0.00 2.57 2.02 -0.24 2.34 112.91 119.94 2bbn h THR 143 Ca 0.08 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2bbn h THR 143 Cb 0.26 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2bbn h THR 143 CO -0.00 0.02 -0.65 0.80 0.37 0.00 0.00 175.52 176.06 2bbn n MET 144 N -3.17 0.06 -0.46 6.66 0.00 0.97 -4.23 117.12 116.96 2bbn n MET 144 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2bbn n MET 144 Cb 0.23 -1.53 0.00 0.00 0.00 0.00 0.00 33.22 31.92 2bbn n MET 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2bbn n MET 145 N -1.62 0.00 0.09 2.12 2.00 -0.12 -4.85 117.12 114.75 2bbn n MET 145 Ca 0.05 -0.91 0.09 0.00 0.00 0.00 0.00 57.70 56.93 2bbn n MET 145 Cb 0.36 -0.48 0.56 0.00 0.00 0.00 0.00 33.22 33.66 2bbn n MET 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2bbn h THR 146 N 6.57 0.97 -6.76 2.03 1.03 0.37 -3.46 112.91 113.67 2bbn h THR 146 Ca 0.00 -0.08 -0.56 0.00 -0.01 0.00 0.00 66.41 65.77 2bbn h THR 146 Cb 1.35 0.73 -0.04 0.00 -1.07 0.00 0.00 68.15 69.12 2bbn h THR 146 CO 0.00 0.04 -0.97 -0.24 -0.01 0.00 0.00 175.52 174.34 2bbn n SER 147 N -4.49 -2.84 0.00 0.00 2.88 -1.26 -5.08 113.62 102.83 2bbn n SER 147 Ca 0.03 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 2bbn n SER 147 Cb 0.20 -2.20 0.00 0.00 -0.75 0.00 0.00 64.21 61.46 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10