#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 0.44 -0.09 0.00 5.68 -1.26 -4.89 116.55 116.43 2bbn n ASP 2 Ca 0.00 -2.87 0.12 0.00 -0.50 0.00 0.00 54.79 51.54 2bbn n ASP 2 Cb 0.00 -0.58 0.25 0.00 -1.14 0.00 0.00 41.12 39.65 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 0.83 0.30 -0.11 0.11 6.02 -1.26 -4.13 117.38 119.14 2bbn n GLN 3 Ca 0.23 -0.19 -0.20 0.00 -0.01 0.00 0.00 57.00 56.83 2bbn n GLN 3 Cb 0.60 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.19 2.78 0.00 1.08 4.32 -1.26 -5.03 117.00 117.70 2bbn n LEU 4 Ca 0.08 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 2bbn n LEU 4 Cb 0.34 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.22 2bbn n LEU 4 CO 0.33 0.87 0.00 0.35 -1.22 0.00 0.00 177.39 177.71 2bbn n THR 5 N -3.45 0.00 -3.64 -5.08 -2.24 -1.26 -4.84 114.28 93.77 2bbn n THR 5 Ca -0.45 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.08 2bbn n THR 5 Cb 0.98 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.25 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 8.09 -2.92 0.00 -0.78 1.02 -1.26 -4.95 120.64 119.84 2bbn n GLU 6 Ca 0.00 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2bbn n GLU 6 Cb 0.00 -4.81 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 2bbn n GLU 6 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2bbn n GLU 7 N -4.09 0.00 -0.29 3.49 4.71 -1.26 -3.62 120.64 119.59 2bbn n GLU 7 Ca -0.19 0.24 -0.05 0.00 -0.01 0.00 0.00 57.16 57.15 2bbn n GLU 7 Cb 0.64 -0.72 0.07 0.00 -1.01 0.00 0.00 31.44 30.42 2bbn n GLU 7 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 2bbn h GLN 8 N 0.00 1.09 -0.56 3.49 4.15 -2.01 -2.40 115.11 118.87 2bbn h GLN 8 Ca 0.00 -0.13 0.11 0.00 0.77 0.00 0.00 58.65 59.40 2bbn h GLN 8 Cb 0.00 -0.21 -0.09 0.00 0.21 0.00 0.00 27.48 27.39 2bbn h GLN 8 CO 0.00 0.81 0.05 0.82 -1.93 0.00 0.00 178.83 178.58 2bbn h ILE 9 N 1.09 0.60 -0.56 2.39 2.04 -1.97 -0.39 117.51 120.70 2bbn h ILE 9 Ca 0.28 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 66.13 2bbn h ILE 9 Cb 0.03 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2bbn h ILE 9 CO -0.04 0.03 0.29 0.00 0.00 0.00 0.00 178.15 178.43 2bbn h ALA 10 N 1.48 0.73 -0.01 1.87 0.00 -1.50 0.18 119.26 122.01 2bbn h ALA 10 Ca 0.29 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.23 2bbn h ALA 10 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2bbn h ALA 10 CO -0.43 -0.05 -0.21 1.49 0.00 0.00 0.00 179.25 180.05 2bbn h GLU 11 N 0.56 -0.24 -0.68 0.00 4.57 -0.82 0.25 114.58 118.21 2bbn h GLU 11 Ca 0.25 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.46 2bbn h GLU 11 Cb 0.15 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 2bbn h GLU 11 CO -0.17 -0.16 0.45 0.27 -1.18 0.00 0.00 179.01 178.22 2bbn h PHE 12 N -0.25 0.84 -0.84 0.92 -5.15 -1.36 -1.72 116.94 109.38 2bbn h PHE 12 Ca 0.01 0.02 0.17 0.00 -0.20 0.00 0.00 57.97 57.96 2bbn h PHE 12 Cb 0.28 -0.28 -0.10 0.00 0.22 0.00 0.00 35.95 36.06 2bbn h PHE 12 CO -0.44 0.52 0.39 -0.22 -2.00 0.00 0.00 178.31 176.56 2bbn h LYS 13 N 0.90 0.50 -0.74 6.09 1.63 -0.15 0.21 116.57 125.01 2bbn h LYS 13 Ca 0.26 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2bbn h LYS 13 Cb -0.07 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.41 2bbn h LYS 13 CO -0.07 0.33 0.47 1.49 -3.45 0.00 0.00 179.45 178.22 2bbn h GLU 14 N 0.51 0.99 -0.80 1.90 4.22 0.41 -2.03 114.58 119.79 2bbn h GLU 14 Ca 0.48 -0.07 0.19 0.00 0.08 0.00 0.00 59.36 60.03 2bbn h GLU 14 Cb 0.76 -0.22 -0.13 0.00 0.50 0.00 0.00 28.75 29.66 2bbn h GLU 14 CO -0.42 0.68 0.15 0.00 -2.18 0.00 0.00 179.01 177.24 2bbn h ALA 15 N 1.26 1.03 0.10 2.92 0.00 -0.24 -0.42 119.26 123.90 2bbn h ALA 15 Ca 0.27 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 2bbn h ALA 15 Cb -0.08 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2bbn h ALA 15 CO -0.06 -0.40 -0.05 0.74 0.00 0.00 0.00 179.25 179.48 2bbn h PHE 16 N 0.21 -0.12 -1.04 0.00 -1.00 -1.12 0.07 116.94 113.93 2bbn h PHE 16 Ca 0.47 -0.00 0.30 0.00 2.81 0.00 0.00 57.97 61.54 2bbn h PHE 16 Cb 0.86 0.04 -0.04 0.00 3.61 0.00 0.00 35.95 40.42 2bbn h PHE 16 CO -0.31 0.17 0.87 1.03 -1.61 0.00 0.00 178.31 178.47 2bbn h SER 17 N -0.42 0.00 0.22 2.17 0.87 -0.60 0.40 113.55 116.19 2bbn h SER 17 Ca -0.01 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.20 2bbn h SER 17 Cb 0.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2bbn h SER 17 CO 0.02 0.00 -1.89 0.25 -0.53 0.00 0.00 176.83 174.68 2bbn h LEU 18 N 0.00 0.36 -2.34 2.23 5.85 -0.86 -3.34 115.31 117.21 2bbn h LEU 18 Ca 0.49 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2bbn h LEU 18 Cb 2.23 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 43.14 2bbn h LEU 18 CO -0.01 1.68 0.00 0.33 -0.34 0.00 0.00 178.44 180.10 2bbn n PHE 19 N -3.41 0.00 -2.73 1.25 -0.00 0.14 -3.57 117.46 109.13 2bbn n PHE 19 Ca -0.27 -0.51 -0.08 0.00 -0.00 0.00 0.00 57.45 56.58 2bbn n PHE 19 Cb 1.05 -0.28 0.10 0.00 -0.00 0.00 0.00 39.48 40.34 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 0.89 -1.71 0.00 -2.13 -0.08 -1.10 -4.77 116.55 107.64 2bbn n ASP 20 Ca 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 54.79 50.36 2bbn n ASP 20 Cb 0.40 1.15 0.03 0.00 2.34 0.00 0.00 41.12 45.04 2bbn n ASP 20 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2bbn n LYS 21 N -0.20 0.02 0.00 -0.67 2.85 -1.23 -3.08 118.16 115.85 2bbn n LYS 21 Ca 0.02 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2bbn n LYS 21 Cb 0.79 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2bbn n ASP 22 N -1.09 0.00 0.00 -5.58 5.68 -1.26 -5.04 116.55 109.26 2bbn n ASP 22 Ca 0.01 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 2bbn n ASP 22 Cb 0.00 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 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 1.91 0.58 0.45 6.12 0.00 -1.18 -4.98 105.19 108.10 2bbn n GLY 23 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.28 2bbn n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bbn h ASP 24 N 0.33 0.16 -4.70 1.61 3.04 -1.96 -3.45 116.42 111.44 2bbn h ASP 24 Ca 0.00 0.02 -0.22 0.00 -3.24 0.00 0.00 57.03 53.59 2bbn h ASP 24 Cb 0.00 -0.01 0.13 0.00 -1.04 0.00 0.00 39.33 38.41 2bbn h ASP 24 CO 0.00 0.05 -0.58 0.61 -2.04 0.00 0.00 179.24 177.28 2bbn n GLY 25 N -1.64 -0.27 3.64 7.15 0.00 -1.26 -5.03 105.19 107.78 2bbn n GLY 25 Ca 0.20 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.27 0.00 -0.54 2.61 -4.23 -1.26 -4.83 115.64 104.12 2bbn s THR 26 Ca 0.09 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.33 2bbn s THR 26 Cb -0.01 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.82 2bbn s THR 26 CO 0.54 0.00 1.69 -0.63 -0.54 0.00 0.00 174.62 175.68 2bbn s ILE 27 N 0.56 3.52 0.42 2.99 -1.09 -1.03 -4.85 121.20 121.73 2bbn s ILE 27 Ca -0.00 0.42 0.02 0.00 -2.23 0.00 0.00 60.65 58.85 2bbn s ILE 27 Cb -0.05 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 2bbn s ILE 27 CO -0.09 -0.90 0.06 0.35 -1.23 0.00 0.00 174.94 173.13 2bbn n THR 28 N 7.13 0.00 0.30 2.92 -2.24 -1.26 -3.44 114.28 117.69 2bbn n THR 28 Ca 0.18 -2.17 0.17 0.00 -2.27 0.00 0.00 64.05 59.96 2bbn n THR 28 Cb 0.50 0.60 0.80 0.00 -2.10 0.00 0.00 70.33 70.13 2bbn n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2bbn h THR 29 N 1.42 0.00 0.23 4.28 1.35 -1.92 0.11 112.91 118.38 2bbn h THR 29 Ca -0.34 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.29 2bbn h THR 29 Cb 1.13 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2bbn h THR 29 CO 0.55 0.00 -0.11 0.11 -0.25 0.00 0.00 175.52 175.82 2bbn h LYS 30 N 0.00 -0.30 0.02 4.72 1.79 -1.94 0.18 116.57 121.03 2bbn h LYS 30 Ca 0.00 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2bbn h LYS 30 Cb 0.24 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2bbn h LYS 30 CO 0.00 0.06 -0.11 1.05 -1.08 0.00 0.00 179.45 179.37 2bbn h GLU 31 N -0.74 0.04 -0.84 3.15 9.09 -1.84 -2.82 114.58 120.62 2bbn h GLU 31 Ca -0.03 -0.07 0.07 0.00 0.05 0.00 0.00 59.36 59.38 2bbn h GLU 31 Cb 0.50 0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 27.57 2bbn h GLU 31 CO 0.05 1.02 0.55 1.25 0.05 0.00 0.00 179.01 181.93 2bbn h LEU 32 N -0.90 0.80 0.80 3.06 6.46 -0.92 -2.32 115.31 122.30 2bbn h LEU 32 Ca -0.02 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 2bbn h LEU 32 Cb 1.07 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.85 2bbn h LEU 32 CO 0.02 0.50 -0.39 1.23 -0.62 0.00 0.00 178.44 179.19 2bbn h GLY 33 N 0.90 -1.13 -0.29 3.75 0.00 -0.70 0.12 103.07 105.71 2bbn h GLY 33 Ca 0.37 0.42 0.03 0.00 0.00 0.00 0.00 47.33 48.15 2bbn h GLY 33 CO -0.14 -0.41 -0.33 -0.91 0.00 0.00 0.00 176.54 174.75 2bbn h THR 34 N -1.22 0.00 0.27 4.70 1.35 -1.23 0.40 112.91 117.18 2bbn h THR 34 Ca -0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 2bbn h THR 34 Cb 0.83 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.25 2bbn h THR 34 CO 0.18 0.00 -0.16 0.58 -0.25 0.00 0.00 175.52 175.87 2bbn h VAL 35 N -0.19 0.00 -0.97 6.82 2.07 -1.48 -2.10 116.25 120.39 2bbn h VAL 35 Ca 0.05 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.88 2bbn h VAL 35 Cb 0.33 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.93 2bbn h VAL 35 CO -0.38 0.00 0.28 -0.03 0.02 0.00 0.00 177.57 177.46 2bbn h MET 36 N -0.40 0.08 -0.95 1.57 -1.53 -0.66 1.50 114.93 114.55 2bbn h MET 36 Ca -0.04 -0.00 0.03 0.00 -3.44 0.00 0.00 59.70 56.25 2bbn h MET 36 Cb 0.32 -0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.30 2bbn h MET 36 CO 0.04 0.05 0.62 -0.09 0.14 0.00 0.00 176.91 177.67 2bbn h ARG 37 N 0.08 1.16 -0.03 0.39 2.43 0.06 1.48 114.38 119.95 2bbn h ARG 37 Ca 0.68 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 2bbn h ARG 37 Cb 1.56 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2bbn h ARG 37 CO -0.79 0.77 0.00 0.43 -1.51 0.00 0.00 179.97 178.87 2bbn n SER 38 N -4.44 0.43 0.00 -3.80 7.64 0.50 -3.21 113.62 110.74 2bbn n SER 38 Ca 0.13 -1.35 0.00 0.00 1.01 0.00 0.00 58.87 58.66 2bbn n SER 38 Cb 0.10 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2bbn n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2bbn n LEU 39 N -0.57 0.70 0.00 -3.43 4.32 0.70 -5.00 117.00 113.72 2bbn n LEU 39 Ca 0.18 -0.70 0.00 0.00 -0.02 0.00 0.00 56.01 55.46 2bbn n LEU 39 Cb 0.15 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 2bbn n LEU 39 CO 0.14 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 2bbn n GLY 40 N -0.07 -0.29 0.00 -0.72 0.00 0.47 -5.00 105.19 99.58 2bbn n GLY 40 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.27 0.00 -2.70 1.61 -0.06 -1.22 -4.98 117.38 109.75 2bbn n GLN 41 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 2bbn n GLN 41 Cb 0.00 0.00 0.06 0.00 -4.06 0.00 0.00 30.24 26.24 2bbn n GLN 41 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2bbn n ASN 42 N 0.00 -2.04 -3.42 1.69 5.15 -1.26 -4.33 115.26 111.05 2bbn n ASN 42 Ca 0.00 -2.28 -0.30 0.00 -0.60 0.00 0.00 54.58 51.40 2bbn n ASN 42 Cb 0.00 1.18 0.26 0.00 -0.53 0.00 0.00 39.78 40.69 2bbn n ASN 42 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2bbn n PRO 43 N 1.82 -3.76 -0.86 1.20 -0.05 -1.26 -4.95 135.00 127.14 2bbn n PRO 43 Ca 0.07 -1.62 -0.33 0.00 -0.05 0.00 0.00 63.50 61.57 2bbn n PRO 43 Cb 0.66 -1.71 0.13 0.00 -0.05 0.00 0.00 33.50 32.54 2bbn n PRO 43 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2bbn n THR 44 N -5.18 0.58 -0.08 0.52 -2.24 -1.26 -4.96 114.28 101.65 2bbn n THR 44 Ca 0.14 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2bbn n THR 44 Cb 0.58 -0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 67.81 2bbn n THR 44 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2bbn h GLU 45 N -1.44 0.05 -0.32 -0.78 4.22 -2.00 -3.29 114.58 111.02 2bbn h GLU 45 Ca -0.44 -0.08 0.07 0.00 0.08 0.00 0.00 59.36 58.99 2bbn h GLU 45 Cb 1.29 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.49 2bbn h GLU 45 CO 0.40 1.04 -0.20 0.00 -2.18 0.00 0.00 179.01 178.07 2bbn h ALA 46 N -0.39 0.01 -0.05 2.92 0.00 -2.00 0.40 119.26 120.15 2bbn h ALA 46 Ca -0.35 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2bbn h ALA 46 Cb 1.42 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 2bbn h ALA 46 CO -0.16 -0.59 0.08 0.93 0.00 0.00 0.00 179.25 179.52 2bbn h GLU 47 N -0.16 0.00 0.24 0.00 5.08 -1.97 -2.19 114.58 115.58 2bbn h GLU 47 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2bbn h GLU 47 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2bbn h GLU 47 CO -0.42 0.00 -0.12 1.25 -1.00 0.00 0.00 179.01 178.73 2bbn h LEU 48 N 0.00 -0.28 -2.07 1.33 5.85 -0.32 -2.66 115.31 117.17 2bbn h LEU 48 Ca 0.02 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2bbn h LEU 48 Cb 0.19 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2bbn h LEU 48 CO -0.00 0.22 0.35 -0.61 -0.34 0.00 0.00 178.44 178.06 2bbn h GLN 49 N -1.04 0.00 0.18 1.25 5.75 -0.96 -0.72 115.11 119.57 2bbn h GLN 49 Ca -0.03 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2bbn h GLN 49 Cb 0.37 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.93 2bbn h GLN 49 CO 0.06 0.00 -0.09 0.22 -2.65 0.00 0.00 178.83 176.37 2bbn h ASP 50 N 0.00 -0.21 -0.62 -0.69 3.58 -1.36 -2.10 116.42 115.02 2bbn h ASP 50 Ca 0.11 -0.32 0.18 0.00 0.42 0.00 0.00 57.03 57.42 2bbn h ASP 50 Cb 0.81 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2bbn h ASP 50 CO -0.00 0.28 0.51 -0.03 -2.88 0.00 0.00 179.24 177.12 2bbn h MET 51 N -0.79 0.00 0.05 0.28 4.05 -0.78 0.15 114.93 117.89 2bbn h MET 51 Ca -0.03 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2bbn h MET 51 Cb 0.52 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 2bbn h MET 51 CO 0.04 0.00 -0.02 0.82 0.23 0.00 0.00 176.91 177.98 2bbn h ILE 52 N 0.00 1.32 0.00 1.77 1.08 -1.24 -3.03 117.51 117.41 2bbn h ILE 52 Ca 0.30 -1.34 -0.00 0.00 -0.39 0.00 0.00 64.86 63.42 2bbn h ILE 52 Cb 1.32 2.18 -0.00 0.00 -3.07 0.00 0.00 36.82 37.25 2bbn h ILE 52 CO -0.00 0.33 -0.02 0.78 -0.69 0.00 0.00 178.15 178.54 2bbn h ASN 53 N -0.67 0.00 0.16 1.72 4.21 -0.42 -1.66 115.58 118.91 2bbn h ASN 53 Ca -0.01 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2bbn h ASN 53 Cb 0.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 2bbn h ASN 53 CO 0.01 0.02 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.02 2bbn h GLU 54 N 0.00 -0.21 -0.04 0.81 4.81 -0.92 -2.82 114.58 116.22 2bbn h GLU 54 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2bbn h GLU 54 Cb 0.13 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2bbn h GLU 54 CO 0.00 0.03 0.00 1.55 -0.73 0.00 0.00 179.01 179.87 2bbn n VAL 55 N -5.09 0.04 -2.44 0.32 3.14 -0.99 -4.78 118.33 108.54 2bbn n VAL 55 Ca -0.09 -0.16 -0.42 0.00 -2.96 0.00 0.00 64.34 60.71 2bbn n VAL 55 Cb 0.18 0.08 -0.02 0.00 -1.06 0.00 0.00 33.84 33.02 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 -1.84 6.31 -0.05 6.55 -1.08 -0.66 -4.89 116.67 121.01 2bbn s ASP 56 Ca 0.38 0.43 -0.00 0.00 -0.52 0.00 0.00 52.55 52.84 2bbn s ASP 56 Cb 0.19 -2.55 -0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2bbn s ASP 56 CO 0.31 -1.53 -0.00 0.00 0.52 0.00 0.00 175.17 174.47 2bbn h ALA 57 N 10.45 0.00 0.79 3.66 0.00 -1.86 -3.40 119.26 128.89 2bbn h ALA 57 Ca -0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2bbn h ALA 57 Cb 1.09 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.89 2bbn h ALA 57 CO 1.15 0.01 -0.39 0.38 0.00 0.00 0.00 179.25 180.40 2bbn h ASP 58 N -0.53 -0.92 0.00 0.00 2.03 -1.95 -3.47 116.42 111.58 2bbn h ASP 58 Ca 0.00 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 2bbn h ASP 58 Cb 0.01 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 2bbn h ASP 58 CO 0.00 -0.65 0.00 0.61 -1.03 0.00 0.00 179.24 178.17 2bbn n GLY 59 N -1.53 -0.24 0.11 7.15 0.00 -1.26 -5.00 105.19 104.42 2bbn n GLY 59 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 0.54 0.00 1.61 0.23 -1.26 -4.82 115.26 111.55 2bbn n ASN 60 Ca 0.00 0.65 0.00 0.00 -0.53 0.00 0.00 54.58 54.70 2bbn n ASN 60 Cb 0.00 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 36.94 2bbn n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bbn n GLY 61 N -0.27 1.51 3.46 4.83 0.00 -1.26 -4.98 105.19 108.49 2bbn n GLY 61 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.04 0.00 -0.16 2.61 -4.23 -1.26 -4.79 115.64 104.76 2bbn s THR 62 Ca 0.00 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 2bbn s THR 62 Cb 0.00 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 2bbn s THR 62 CO 0.00 0.00 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.40 2bbn s ILE 63 N -3.57 3.69 0.00 2.99 1.09 -1.22 -4.94 121.20 119.23 2bbn s ILE 63 Ca 0.30 -0.42 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 2bbn s ILE 63 Cb 0.01 -2.62 0.00 0.00 -1.06 0.00 0.00 42.46 38.79 2bbn s ILE 63 CO 0.15 0.48 0.00 0.47 -0.10 0.00 0.00 174.94 175.95 2bbn n ASP 64 N 3.73 0.00 -0.03 3.58 9.92 -1.26 -2.45 116.55 130.04 2bbn n ASP 64 Ca -0.18 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 53.91 2bbn n ASP 64 Cb 0.52 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.87 2bbn n ASP 64 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2bbn h PHE 65 N 0.00 0.20 -0.42 1.24 0.04 -2.00 -3.05 116.94 112.95 2bbn h PHE 65 Ca 0.00 -0.15 0.04 0.00 2.80 0.00 0.00 57.97 60.66 2bbn h PHE 65 Cb 0.00 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2bbn h PHE 65 CO 0.00 1.23 0.28 -1.35 -0.60 0.00 0.00 178.31 177.87 2bbn h PRO 66 N -0.74 0.42 -0.12 1.51 0.11 -2.01 -1.84 132.00 129.33 2bbn h PRO 66 Ca -0.13 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.84 2bbn h PRO 66 Cb 1.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2bbn h PRO 66 CO 0.02 0.28 -0.38 0.93 -0.21 0.00 0.00 178.00 178.63 2bbn h GLU 67 N 0.43 0.47 -0.65 1.05 5.08 -1.96 -2.56 114.58 116.44 2bbn h GLU 67 Ca 0.18 -0.34 0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2bbn h GLU 67 Cb 0.16 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.35 2bbn h GLU 67 CO -0.04 0.97 -0.21 0.35 -1.00 0.00 0.00 179.01 179.07 2bbn h PHE 68 N 0.06 -0.50 -0.18 4.33 3.57 -1.22 0.94 116.94 123.94 2bbn h PHE 68 Ca -0.01 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2bbn h PHE 68 Cb 1.01 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2bbn h PHE 68 CO 0.11 -0.32 0.08 -0.07 -2.23 0.00 0.00 178.31 175.88 2bbn h LEU 69 N -0.04 0.24 -2.31 0.59 3.38 -1.50 -1.83 115.31 113.83 2bbn h LEU 69 Ca 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2bbn h LEU 69 Cb 0.51 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2bbn h LEU 69 CO -0.69 0.31 -0.03 0.74 0.09 0.00 0.00 178.44 178.86 2bbn h THR 70 N 0.14 0.21 -0.01 0.22 2.02 -0.60 0.27 112.91 115.17 2bbn h THR 70 Ca 0.06 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2bbn h THR 70 Cb 0.15 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2bbn h THR 70 CO -0.01 0.03 -0.01 -0.03 0.37 0.00 0.00 175.52 175.88 2bbn h MET 71 N 0.00 0.01 0.00 6.66 -1.53 0.17 -0.71 114.93 119.53 2bbn h MET 71 Ca -0.00 -0.01 -0.22 0.00 -3.44 0.00 0.00 59.70 56.03 2bbn h MET 71 Cb 0.21 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.22 2bbn h MET 71 CO 0.00 0.49 -1.10 0.00 0.14 0.00 0.00 176.91 176.44 2bbn h MET 72 N -0.46 0.00 0.00 0.39 -0.00 -1.18 -3.26 114.93 110.42 2bbn h MET 72 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.61 2bbn h MET 72 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.07 2bbn h MET 72 CO 0.00 0.88 -0.44 0.00 -0.00 0.00 0.00 176.91 177.36 2bbn h ALA 73 N 1.03 0.99 -0.83 -3.00 0.00 -0.52 -3.05 119.26 113.88 2bbn h ALA 73 Ca -0.06 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2bbn h ALA 73 Cb 1.79 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2bbn h ALA 73 CO 0.12 0.55 0.54 0.00 0.00 0.00 0.00 179.25 180.45 2bbn h ARG 74 N 0.00 1.04 -2.13 0.00 2.47 -1.16 -2.72 114.38 111.88 2bbn h ARG 74 Ca -0.00 -0.06 -0.76 0.00 -1.26 0.00 0.00 59.98 57.89 2bbn h ARG 74 Cb 0.95 -0.23 -0.29 0.00 -1.65 0.00 0.00 29.97 28.74 2bbn h ARG 74 CO 0.06 0.69 0.80 1.63 0.56 0.00 0.00 179.97 183.70 2bbn n LYS 75 N -4.55 4.25 -0.08 0.04 5.02 -1.15 -5.02 118.16 116.67 2bbn n LYS 75 Ca 0.09 -4.30 -0.05 0.00 -2.02 0.00 0.00 58.31 52.04 2bbn n LYS 75 Cb 0.06 -2.37 0.04 0.00 -0.02 0.00 0.00 35.03 32.74 2bbn n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bbn n MET 76 N -0.26 -1.16 -1.54 1.97 0.00 -1.03 -4.49 117.12 110.61 2bbn n MET 76 Ca 0.47 -0.22 -0.25 0.00 0.00 0.00 0.00 57.70 57.71 2bbn n MET 76 Cb 0.28 -0.35 -0.10 0.00 0.00 0.00 0.00 33.22 33.05 2bbn n MET 76 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 2bbn n LYS 77 N -1.73 0.49 0.00 3.17 2.85 -1.26 -4.36 118.16 117.32 2bbn n LYS 77 Ca 0.02 -0.33 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 2bbn n LYS 77 Cb 0.09 -2.76 0.00 0.00 -0.65 0.00 0.00 35.03 31.71 2bbn n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2bbn n ASP 78 N 14.12 0.00 -1.51 -5.58 2.03 -1.26 -4.96 116.55 119.38 2bbn n ASP 78 Ca 0.51 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.82 2bbn n ASP 78 Cb 0.34 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 2bbn n ASP 78 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2bbn n THR 79 N 0.00 2.03 -2.45 5.18 -2.24 -1.26 -4.87 114.28 110.67 2bbn n THR 79 Ca 0.00 -0.55 -0.23 0.00 -2.27 0.00 0.00 64.05 61.00 2bbn n THR 79 Cb 0.00 -1.49 0.07 0.00 -2.10 0.00 0.00 70.33 66.80 2bbn n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn s ASP 80 N 1.92 4.88 0.05 3.42 -1.08 -1.26 -5.07 116.67 119.52 2bbn s ASP 80 Ca 0.01 0.11 0.08 0.00 -0.52 0.00 0.00 52.55 52.23 2bbn s ASP 80 Cb 0.01 -0.79 -0.03 0.00 -1.46 0.00 0.00 42.92 40.65 2bbn s ASP 80 CO -0.00 -1.48 -0.22 -0.94 0.52 0.00 0.00 175.17 173.05 2bbn s SER 81 N -4.53 2.64 0.00 -0.34 1.04 -1.26 -5.02 113.70 106.23 2bbn s SER 81 Ca 0.60 -0.56 0.15 0.00 0.48 0.00 0.00 55.95 56.62 2bbn s SER 81 Cb -0.09 -0.21 0.10 0.00 0.10 0.00 0.00 66.02 65.91 2bbn s SER 81 CO 0.42 0.17 0.94 1.21 0.98 0.00 0.00 173.24 176.95 2bbn n GLU 82 N 1.70 1.18 -0.17 4.02 2.13 -1.26 -4.48 120.64 123.76 2bbn n GLU 82 Ca -0.17 -1.27 0.19 0.00 0.66 0.00 0.00 57.16 56.56 2bbn n GLU 82 Cb 0.53 -1.27 0.56 0.00 0.27 0.00 0.00 31.44 31.53 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2bbn h GLU 83 N 2.68 0.29 -0.21 5.31 5.08 -2.00 0.03 114.58 125.76 2bbn h GLU 83 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2bbn h GLU 83 Cb 0.59 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2bbn h GLU 83 CO 0.00 0.19 0.11 1.05 -1.00 0.00 0.00 179.01 179.36 2bbn h GLU 84 N 0.30 0.29 -0.51 2.33 4.11 -2.00 -1.55 114.58 117.55 2bbn h GLU 84 Ca 0.40 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.89 2bbn h GLU 84 Cb 1.10 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.21 2bbn h GLU 84 CO -0.11 0.29 0.01 0.82 0.07 0.00 0.00 179.01 180.08 2bbn h ILE 85 N 0.22 0.60 -0.47 -1.06 5.03 -1.30 0.78 117.51 121.31 2bbn h ILE 85 Ca 0.07 -0.04 0.06 0.00 -0.12 0.00 0.00 64.86 64.83 2bbn h ILE 85 Cb 0.08 0.47 -0.05 0.00 -3.03 0.00 0.00 36.82 34.29 2bbn h ILE 85 CO -0.01 0.02 0.19 0.03 -0.68 0.00 0.00 178.15 177.70 2bbn h ARG 86 N 0.12 0.36 -0.12 2.37 3.08 -1.20 -0.74 114.38 118.26 2bbn h ARG 86 Ca 0.26 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.31 2bbn h ARG 86 Cb 0.39 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2bbn h ARG 86 CO -0.42 0.24 -0.03 0.93 -1.07 0.00 0.00 179.97 179.62 2bbn h GLU 87 N 0.37 -0.00 -0.93 0.04 5.08 -0.03 0.32 114.58 119.43 2bbn h GLU 87 Ca 0.22 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.69 2bbn h GLU 87 Cb 0.20 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 2bbn h GLU 87 CO -0.21 -0.00 0.56 0.00 -1.00 0.00 0.00 179.01 178.36 2bbn h ALA 88 N 1.12 1.36 -0.51 3.43 0.00 -0.35 0.73 119.26 125.03 2bbn h ALA 88 Ca 0.06 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2bbn h ALA 88 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2bbn h ALA 88 CO -0.12 0.18 -0.15 0.35 0.00 0.00 0.00 179.25 179.51 2bbn h PHE 89 N 0.92 1.14 -0.95 0.00 3.57 -0.23 -2.72 116.94 118.66 2bbn h PHE 89 Ca 0.45 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.71 2bbn h PHE 89 Cb 0.41 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 2bbn h PHE 89 CO -0.03 1.08 0.63 -0.09 -2.23 0.00 0.00 178.31 177.67 2bbn h ARG 90 N 0.88 1.25 -0.10 1.11 9.65 0.13 -1.64 114.38 125.66 2bbn h ARG 90 Ca 0.13 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2bbn h ARG 90 Cb 0.72 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2bbn h ARG 90 CO 0.06 0.83 0.05 0.28 2.80 0.00 0.00 179.97 183.98 2bbn h VAL 91 N 1.29 1.00 -0.25 0.20 2.07 -0.69 0.75 116.25 120.62 2bbn h VAL 91 Ca 0.35 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.86 2bbn h VAL 91 Cb -0.14 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2bbn h VAL 91 CO -0.08 0.02 0.10 -0.26 0.02 0.00 0.00 177.57 177.37 2bbn h PHE 92 N 0.11 0.18 -1.00 1.57 0.04 -1.16 -2.20 116.94 114.48 2bbn h PHE 92 Ca 0.04 0.01 -0.61 0.00 2.80 0.00 0.00 57.97 60.21 2bbn h PHE 92 Cb 0.00 -0.04 -0.30 0.00 2.20 0.00 0.00 35.95 37.81 2bbn h PHE 92 CO -0.09 0.09 0.78 -3.47 -0.60 0.00 0.00 178.31 175.02 2bbn n ASP 93 N -5.02 5.89 -0.14 2.17 2.03 -0.65 -4.65 116.55 116.19 2bbn n ASP 93 Ca -0.02 -3.71 0.28 0.00 0.52 0.00 0.00 54.79 51.86 2bbn n ASP 93 Cb 0.08 -0.91 0.67 0.00 -0.72 0.00 0.00 41.12 40.24 2bbn n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2bbn h LYS 94 N 1.54 0.00 0.00 -0.67 3.64 0.12 -3.34 116.57 117.86 2bbn h LYS 94 Ca 0.62 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 2bbn h LYS 94 Cb 1.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 2bbn h LYS 94 CO 1.37 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 178.30 2bbn n ASP 95 N -3.73 0.00 -1.43 4.20 8.00 -1.26 -4.99 116.55 117.34 2bbn n ASP 95 Ca 0.18 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.67 2bbn n ASP 95 Cb 1.09 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 42.21 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 96 N 0.00 -0.08 0.11 0.44 0.00 -1.25 -4.99 105.19 99.42 2bbn n GLY 96 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.32 1.11 0.00 1.61 4.13 -1.26 -4.99 115.26 115.54 2bbn n ASN 97 Ca -0.07 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.28 2bbn n ASN 97 Cb 0.54 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 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 1.89 2.79 3.49 7.41 0.00 -1.26 -5.03 105.19 114.48 2bbn n GLY 98 Ca -0.33 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.79 2.12 0.07 1.61 0.08 -1.26 -4.39 117.98 113.42 2bbn s PHE 99 Ca 0.00 -0.86 -0.03 0.00 0.12 0.00 0.00 56.93 56.15 2bbn s PHE 99 Cb 0.00 -1.41 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 2bbn s PHE 99 CO 0.00 0.15 0.28 0.42 -0.10 0.00 0.00 175.22 175.97 2bbn s ILE 100 N -3.12 5.29 0.15 0.64 1.01 -0.59 -4.92 121.20 119.66 2bbn s ILE 100 Ca 0.36 -0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.98 2bbn s ILE 100 Cb 0.09 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 2bbn s ILE 100 CO 0.16 0.17 -0.14 -0.55 0.00 0.00 0.00 174.94 174.58 2bbn s SER 101 N -2.24 2.19 0.29 3.58 0.15 -1.26 -3.43 113.70 112.98 2bbn s SER 101 Ca 0.35 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 56.11 2bbn s SER 101 Cb -0.13 -0.09 0.70 0.00 -1.71 0.00 0.00 66.02 64.80 2bbn s SER 101 CO 0.23 -0.17 1.62 0.00 1.20 0.00 0.00 173.24 176.13 2bbn h ALA 102 N 3.12 1.21 0.23 5.45 0.00 -1.98 -0.91 119.26 126.38 2bbn h ALA 102 Ca -0.39 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2bbn h ALA 102 Cb 1.20 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2bbn h ALA 102 CO 0.56 -0.50 -0.11 0.00 0.00 0.00 0.00 179.25 179.19 2bbn h ALA 103 N 1.82 -0.31 -0.18 0.00 0.00 -1.99 -2.68 119.26 115.92 2bbn h ALA 103 Ca 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2bbn h ALA 103 Cb 1.12 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bbn h ALA 103 CO -0.72 -0.49 0.00 0.39 0.00 0.00 0.00 179.25 178.43 2bbn n GLU 104 N -5.07 0.00 -0.30 0.00 -0.58 -0.38 -0.35 120.64 113.95 2bbn n GLU 104 Ca -0.09 0.91 0.14 0.00 -0.42 0.00 0.00 57.16 57.70 2bbn n GLU 104 Cb 0.25 -1.47 0.31 0.00 -0.57 0.00 0.00 31.44 29.96 2bbn n GLU 104 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2bbn h LEU 105 N 0.00 0.23 -0.31 -4.62 5.85 -1.57 -1.13 115.31 113.77 2bbn h LEU 105 Ca 0.00 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2bbn h LEU 105 Cb 0.00 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 2bbn h LEU 105 CO 0.00 -0.07 -0.40 -0.09 -0.34 0.00 0.00 178.44 177.55 2bbn h ARG 106 N 0.32 -0.26 -0.61 1.25 2.43 -0.32 0.37 114.38 117.56 2bbn h ARG 106 Ca 0.57 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.87 2bbn h ARG 106 Cb 1.13 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 2bbn h ARG 106 CO -0.58 -0.17 -0.29 0.45 -1.51 0.00 0.00 179.97 177.87 2bbn h HIS 107 N -0.27 -0.77 -0.56 2.20 3.86 -0.34 0.48 115.15 119.75 2bbn h HIS 107 Ca 0.05 0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2bbn h HIS 107 Cb 0.41 0.43 -0.04 0.00 1.06 0.00 0.00 27.41 29.28 2bbn h HIS 107 CO -0.70 -0.36 0.35 0.28 0.86 0.00 0.00 177.93 178.35 2bbn h VAL 108 N -0.12 1.07 0.00 2.45 2.07 -1.00 -2.09 116.25 118.62 2bbn h VAL 108 Ca 0.26 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 2bbn h VAL 108 Cb 0.54 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2bbn h VAL 108 CO -0.68 0.13 -0.49 0.24 0.02 0.00 0.00 177.57 176.79 2bbn h MET 109 N 0.69 0.00 0.29 1.57 2.07 0.13 -3.13 114.93 116.54 2bbn h MET 109 Ca 0.23 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.85 2bbn h MET 109 Cb 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.73 2bbn h MET 109 CO -0.09 0.49 -0.21 1.79 1.07 0.00 0.00 176.91 179.96 2bbn h THR 110 N 0.00 0.56 -0.98 2.22 1.35 0.59 0.38 112.91 117.02 2bbn h THR 110 Ca -0.00 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.01 2bbn h THR 110 Cb 0.92 0.56 -0.09 0.00 -1.73 0.00 0.00 68.15 67.81 2bbn h THR 110 CO 0.06 0.00 0.62 -1.13 -0.25 0.00 0.00 175.52 174.82 2bbn h ASN 111 N -0.49 0.80 -2.19 5.36 -1.24 -1.49 -2.15 115.58 114.17 2bbn h ASN 111 Ca -0.02 0.07 -0.69 0.00 0.71 0.00 0.00 56.30 56.36 2bbn h ASN 111 Cb 0.43 -0.08 -0.35 0.00 0.73 0.00 0.00 38.32 39.04 2bbn h ASN 111 CO 0.00 0.36 0.16 -0.11 -1.29 0.00 0.00 177.43 176.55 2bbn n LEU 112 N -4.67 5.91 0.00 0.34 7.94 -0.65 -4.86 117.00 121.01 2bbn n LEU 112 Ca 0.21 -5.46 0.00 0.00 -1.11 0.00 0.00 56.01 49.64 2bbn n LEU 112 Cb 0.49 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.60 2bbn n LEU 112 CO 0.25 2.18 0.00 0.61 -1.11 0.00 0.00 177.39 179.32 2bbn n GLY 113 N -0.22 2.55 1.74 -3.96 0.00 0.03 -4.84 105.19 100.50 2bbn n GLY 113 Ca 0.40 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2bbn n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bbn n GLU 114 N 0.00 4.25 -3.22 1.61 4.71 -1.24 -3.65 120.64 123.10 2bbn n GLU 114 Ca 0.00 -3.02 -0.26 0.00 -0.01 0.00 0.00 57.16 53.87 2bbn n GLU 114 Cb 0.00 -2.06 -0.06 0.00 -1.01 0.00 0.00 31.44 28.31 2bbn n GLU 114 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2bbn n LYS 115 N 0.95 2.48 -4.30 3.49 2.85 -1.26 -5.06 118.16 117.32 2bbn n LYS 115 Ca 0.27 -4.50 -0.17 0.00 -1.05 0.00 0.00 58.31 52.86 2bbn n LYS 115 Cb 1.03 -2.10 -0.09 0.00 -0.65 0.00 0.00 35.03 33.21 2bbn n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2bbn s LEU 116 N -2.69 1.57 0.17 -5.58 1.02 -1.26 -5.18 118.68 106.74 2bbn s LEU 116 Ca 0.43 -1.55 -0.06 0.00 0.02 0.00 0.00 54.13 52.97 2bbn s LEU 116 Cb 0.21 0.30 -0.02 0.00 0.02 0.00 0.00 46.19 46.69 2bbn s LEU 116 CO -0.07 -0.90 0.21 -0.89 0.02 0.00 0.00 176.35 174.72 2bbn s THR 117 N -3.70 0.05 0.06 5.49 2.01 -1.26 -5.05 115.64 113.24 2bbn s THR 117 Ca 0.37 -1.66 -0.25 0.00 0.31 0.00 0.00 61.69 60.46 2bbn s THR 117 Cb 0.05 -2.08 -0.17 0.00 0.01 0.00 0.00 72.50 70.32 2bbn s THR 117 CO 0.18 -0.24 1.58 0.44 -0.69 0.00 0.00 174.62 175.89 2bbn h ASP 118 N 2.61 -0.18 -1.13 3.53 3.32 -2.00 -2.44 116.42 120.13 2bbn h ASP 118 Ca -0.33 -0.09 0.35 0.00 0.02 0.00 0.00 57.03 56.98 2bbn h ASP 118 Cb 1.23 0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.70 2bbn h ASP 118 CO 0.51 -0.02 0.71 -0.33 -1.72 0.00 0.00 179.24 178.38 2bbn h GLU 119 N -0.33 0.25 0.00 3.56 4.39 -1.99 -0.05 114.58 120.41 2bbn h GLU 119 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2bbn h GLU 119 Cb 0.26 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2bbn h GLU 119 CO 0.04 0.16 0.00 0.39 -1.16 0.00 0.00 179.01 178.44 2bbn n GLU 120 N -4.79 0.00 -0.32 2.33 -0.58 -0.92 -1.68 120.64 114.68 2bbn n GLU 120 Ca 0.32 0.26 0.18 0.00 -0.42 0.00 0.00 57.16 57.50 2bbn n GLU 120 Cb 1.12 -1.20 0.37 0.00 -0.57 0.00 0.00 31.44 31.16 2bbn n GLU 120 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2bbn h VAL 121 N 0.00 0.18 -0.08 2.62 2.07 -1.40 0.20 116.25 119.85 2bbn h VAL 121 Ca 0.00 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.51 2bbn h VAL 121 Cb 0.00 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.74 2bbn h VAL 121 CO 0.00 0.02 -0.43 -0.78 0.02 0.00 0.00 177.57 176.41 2bbn h ASP 122 N 0.13 -1.32 -0.97 0.57 3.58 -0.98 0.28 116.42 117.72 2bbn h ASP 122 Ca 0.64 0.17 0.13 0.00 0.42 0.00 0.00 57.03 58.39 2bbn h ASP 122 Cb 1.41 0.53 -0.08 0.00 1.72 0.00 0.00 39.33 42.91 2bbn h ASP 122 CO -0.74 -0.44 0.61 -0.33 -2.88 0.00 0.00 179.24 175.46 2bbn h GLU 123 N -0.53 0.86 0.62 0.28 4.39 0.30 -0.96 114.58 119.54 2bbn h GLU 123 Ca 0.06 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2bbn h GLU 123 Cb 0.64 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2bbn h GLU 123 CO -0.37 0.57 -0.30 0.52 -1.16 0.00 0.00 179.01 178.28 2bbn h MET 124 N 0.89 -0.81 -0.54 2.33 2.86 -0.30 -2.12 114.93 117.24 2bbn h MET 124 Ca 0.49 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 58.28 2bbn h MET 124 Cb 0.59 0.18 -0.11 0.00 0.06 0.00 0.00 31.60 32.33 2bbn h MET 124 CO -0.26 -0.49 -0.32 0.82 1.06 0.00 0.00 176.91 177.72 2bbn h ILE 125 N -1.08 0.20 -0.54 -1.22 1.08 -0.03 0.17 117.51 116.08 2bbn h ILE 125 Ca -0.09 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.49 2bbn h ILE 125 Cb 0.69 0.20 -0.10 0.00 -3.07 0.00 0.00 36.82 34.54 2bbn h ILE 125 CO 0.14 0.00 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.41 2bbn h ARG 126 N -0.18 0.02 -0.36 2.37 9.65 -1.16 0.45 114.38 125.19 2bbn h ARG 126 Ca 0.22 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.20 2bbn h ARG 126 Cb 0.54 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 2bbn h ARG 126 CO -0.64 0.01 0.29 1.49 2.80 0.00 0.00 179.97 183.92 2bbn h GLU 127 N 0.02 0.00 0.00 0.20 4.81 -0.28 0.41 114.58 119.74 2bbn h GLU 127 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2bbn h GLU 127 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2bbn h GLU 127 CO -0.54 0.00 -0.20 0.00 -0.73 0.00 0.00 179.01 177.54 2bbn n ALA 128 N -2.53 2.80 -3.17 2.92 0.00 0.15 -4.62 120.51 116.07 2bbn n ALA 128 Ca 0.06 -0.20 -0.45 0.00 0.00 0.00 0.00 53.44 52.85 2bbn n ALA 128 Cb 0.46 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 2bbn n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bbn s ASP 129 N -3.07 6.18 -0.23 0.00 1.11 0.14 -4.85 116.67 115.95 2bbn s ASP 129 Ca 0.13 -1.60 0.00 0.00 0.18 0.00 0.00 52.55 51.26 2bbn s ASP 129 Cb 0.18 -2.23 -0.15 0.00 1.07 0.00 0.00 42.92 41.80 2bbn s ASP 129 CO 0.60 -0.87 -0.22 -0.38 1.18 0.00 0.00 175.17 175.48 2bbn n ILE 130 N 5.31 1.33 0.00 0.77 5.41 -1.26 -4.86 119.36 126.06 2bbn n ILE 130 Ca -0.13 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.13 2bbn n ILE 130 Cb 0.41 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 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 -3.27 0.00 0.00 4.38 5.68 -1.26 -5.01 116.55 117.07 2bbn n ASP 131 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 2bbn n ASP 131 Cb 0.93 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 2bbn n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 132 N 1.14 -2.07 1.61 6.12 0.00 -1.26 -5.07 105.19 105.66 2bbn n GLY 132 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.02 2bbn n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bbn n ASP 133 N 0.00 0.30 0.00 1.61 8.00 -1.26 -5.08 116.55 120.12 2bbn n ASP 133 Ca 0.00 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2bbn n ASP 133 Cb 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 134 N 2.31 3.47 3.92 0.44 0.00 -1.26 -5.09 105.19 108.98 2bbn n GLY 134 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 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 3.46 -0.32 1.61 -1.52 -1.26 -4.93 119.66 116.70 2bbn s GLN 135 Ca 0.00 -0.08 -0.15 0.00 -1.95 0.00 0.00 55.36 53.18 2bbn s GLN 135 Cb 0.00 -2.50 -0.02 0.00 -0.22 0.00 0.00 33.01 30.27 2bbn s GLN 135 CO 0.00 -0.08 0.37 0.08 -0.25 0.00 0.00 175.29 175.41 2bbn s VAL 136 N -2.56 5.16 0.63 1.09 1.01 -1.22 -4.94 120.40 119.57 2bbn s VAL 136 Ca 0.44 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.67 2bbn s VAL 136 Cb -0.10 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.58 2bbn s VAL 136 CO 0.41 -0.03 0.86 0.20 0.00 0.00 0.00 175.10 176.54 2bbn s ASN 137 N 1.71 4.82 0.27 3.32 -0.87 -1.26 -1.55 114.94 121.38 2bbn s ASN 137 Ca 0.13 -0.49 0.01 0.00 -1.57 0.00 0.00 52.86 50.94 2bbn s ASN 137 Cb -0.16 -0.07 0.36 0.00 -0.02 0.00 0.00 41.25 41.36 2bbn s ASN 137 CO 0.11 -1.51 1.71 0.22 -2.57 0.00 0.00 177.10 175.06 2bbn h TYR 138 N -0.12 0.63 -0.05 2.20 3.20 -1.98 -2.82 116.97 118.03 2bbn h TYR 138 Ca -0.35 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 61.43 2bbn h TYR 138 Cb 1.28 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 2bbn h TYR 138 CO 0.13 0.75 -0.29 1.49 -1.64 0.00 0.00 178.16 178.60 2bbn h GLU 139 N 0.50 -0.40 -0.00 1.82 4.57 -1.97 -0.05 114.58 119.05 2bbn h GLU 139 Ca 0.07 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2bbn h GLU 139 Cb 0.66 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2bbn h GLU 139 CO 0.05 -0.27 -0.09 0.93 -1.18 0.00 0.00 179.01 178.46 2bbn h GLU 140 N -0.41 0.00 0.00 1.92 5.08 -1.94 -0.25 114.58 118.98 2bbn h GLU 140 Ca 0.08 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2bbn h GLU 140 Cb 0.52 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2bbn h GLU 140 CO -0.28 0.09 -0.13 0.35 -1.00 0.00 0.00 179.01 178.04 2bbn h PHE 141 N 0.00 0.00 0.07 4.33 3.57 -0.79 -2.24 116.94 121.89 2bbn h PHE 141 Ca -0.00 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.18 2bbn h PHE 141 Cb 0.15 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2bbn h PHE 141 CO 0.00 0.13 -1.78 0.28 -2.23 0.00 0.00 178.31 174.71 2bbn h VAL 142 N 0.00 0.83 0.00 1.41 2.07 -0.05 -2.78 116.25 117.72 2bbn h VAL 142 Ca -0.00 -2.59 -0.04 0.00 0.82 0.00 0.00 66.70 64.89 2bbn h VAL 142 Cb 0.45 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2bbn h VAL 142 CO 0.02 0.72 -0.18 0.74 0.02 0.00 0.00 177.57 178.88 2bbn h THR 143 N 0.04 0.76 0.00 2.57 2.02 -1.07 -3.08 112.91 114.14 2bbn h THR 143 Ca -0.33 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.08 2bbn h THR 143 Cb 2.02 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.86 2bbn h THR 143 CO 0.10 0.18 -0.51 -0.03 0.37 0.00 0.00 175.52 175.63 2bbn h MET 144 N 0.00 0.00 -3.14 6.66 -1.53 -1.51 -3.40 114.93 112.01 2bbn h MET 144 Ca -0.00 0.00 -0.78 0.00 -3.44 0.00 0.00 59.70 55.48 2bbn h MET 144 Cb 0.43 0.00 -0.21 0.00 -0.55 0.00 0.00 31.60 31.27 2bbn h MET 144 CO 0.02 0.31 1.51 -1.33 0.14 0.00 0.00 176.91 177.56 2bbn n MET 145 N -4.61 4.12 0.00 0.39 2.00 -1.05 -4.51 117.12 113.46 2bbn n MET 145 Ca -0.11 -3.99 0.05 0.00 0.00 0.00 0.00 57.70 53.65 2bbn n MET 145 Cb 0.31 -2.72 0.00 0.00 0.00 0.00 0.00 33.22 30.82 2bbn n MET 145 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2bbn n THR 146 N 2.24 0.00 -2.67 2.03 5.66 -1.17 -4.80 114.28 115.58 2bbn n THR 146 Ca 0.36 -0.40 -0.42 0.00 -3.05 0.00 0.00 64.05 60.54 2bbn n THR 146 Cb 0.34 1.14 -0.03 0.00 -1.55 0.00 0.00 70.33 70.22 2bbn n THR 146 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2bbn s SER 147 N -1.38 6.18 0.00 1.09 0.15 -1.26 -5.14 113.70 113.35 2bbn s SER 147 Ca 0.09 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2bbn s SER 147 Cb 0.09 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2bbn s SER 147 CO 0.26 -1.66 0.00 0.29 1.20 0.00 0.00 173.24 173.33