#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 -1.89 0.00 8.00 -1.26 -4.79 116.55 116.62 2bbn n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2bbn n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 13.69 -2.31 0.00 -1.24 10.64 -1.26 -4.29 117.38 132.60 2bbn n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2bbn n GLN 3 Cb 0.00 -3.48 0.00 0.00 -0.86 0.00 0.00 30.24 25.90 2bbn n GLN 3 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2bbn n LEU 4 N -1.79 0.00 0.00 2.61 7.94 -1.26 -5.04 117.00 119.46 2bbn n LEU 4 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2bbn n LEU 4 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2bbn n LEU 4 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.39 176.63 2bbn n THR 5 N 0.00 0.00 -0.54 1.96 -2.24 -1.26 -4.56 114.28 107.64 2bbn n THR 5 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2bbn n THR 5 Cb 0.00 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 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 0.00 -0.97 0.18 -0.78 1.02 -1.26 -4.74 120.64 114.09 2bbn n GLU 6 Ca 0.00 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 2bbn n GLU 6 Cb 0.00 -3.93 -0.08 0.00 -0.02 0.00 0.00 31.44 27.42 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 0.00 -0.46 -0.13 3.49 4.57 -2.00 -1.11 114.58 118.94 2bbn h GLU 7 Ca 0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2bbn h GLU 7 Cb 0.35 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2bbn h GLU 7 CO 0.00 -0.15 0.01 1.96 -1.18 0.00 0.00 179.01 179.65 2bbn h GLN 8 N -0.82 0.22 -0.68 1.92 4.20 -1.99 -2.47 115.11 115.50 2bbn h GLN 8 Ca -0.05 -0.07 0.15 0.00 0.06 0.00 0.00 58.65 58.74 2bbn h GLN 8 Cb 0.53 -0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.17 2bbn h GLN 8 CO 0.08 0.45 0.04 0.82 -0.67 0.00 0.00 178.83 179.55 2bbn h ILE 9 N -0.03 0.46 -0.20 2.54 2.04 -1.94 0.12 117.51 120.50 2bbn h ILE 9 Ca 0.04 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2bbn h ILE 9 Cb 0.35 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2bbn h ILE 9 CO 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 178.15 178.17 2bbn h ALA 10 N 1.61 0.17 -0.45 1.87 0.00 -1.01 -2.02 119.26 119.42 2bbn h ALA 10 Ca 0.37 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.42 2bbn h ALA 10 Cb 0.61 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2bbn h ALA 10 CO -0.56 -0.44 -0.11 1.49 0.00 0.00 0.00 179.25 179.63 2bbn h GLU 11 N 0.05 0.01 -0.80 0.00 4.57 -0.37 0.51 114.58 118.54 2bbn h GLU 11 Ca 0.09 -0.00 0.19 0.00 -1.18 0.00 0.00 59.36 58.46 2bbn h GLU 11 Cb 0.12 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 2bbn h GLU 11 CO -0.17 0.00 0.55 0.74 -1.18 0.00 0.00 179.01 178.95 2bbn h PHE 12 N 0.01 0.36 0.03 0.92 -1.00 -0.44 -0.65 116.94 116.17 2bbn h PHE 12 Ca 0.22 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.01 2bbn h PHE 12 Cb 0.33 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.78 2bbn h PHE 12 CO -0.38 0.11 -0.02 -0.22 -1.61 0.00 0.00 178.31 176.19 2bbn h LYS 13 N 0.29 -0.04 -1.20 1.51 3.64 0.62 -2.77 116.57 118.62 2bbn h LYS 13 Ca 0.40 0.00 0.34 0.00 -1.27 0.00 0.00 60.65 60.13 2bbn h LYS 13 Cb 1.13 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 2bbn h LYS 13 CO -0.11 0.39 0.80 0.93 -2.27 0.00 0.00 179.45 179.20 2bbn h GLU 14 N -0.49 0.18 0.48 1.90 5.08 0.30 0.73 114.58 122.76 2bbn h GLU 14 Ca -0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2bbn h GLU 14 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2bbn h GLU 14 CO 0.01 0.12 -0.23 0.00 -1.00 0.00 0.00 179.01 177.91 2bbn h ALA 15 N 1.52 -0.64 0.00 3.43 0.00 -1.19 -1.55 119.26 120.84 2bbn h ALA 15 Ca 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2bbn h ALA 15 Cb 2.09 0.25 0.00 0.00 0.00 0.00 0.00 17.79 20.13 2bbn h ALA 15 CO -0.23 -0.68 0.08 1.19 0.00 0.00 0.00 179.25 179.61 2bbn n PHE 16 N -5.24 0.36 0.01 0.00 3.72 0.08 0.03 117.46 116.42 2bbn n PHE 16 Ca -0.10 0.19 -0.14 0.00 -0.05 0.00 0.00 57.45 57.34 2bbn n PHE 16 Cb 0.30 -0.73 -0.14 0.00 -0.94 0.00 0.00 39.48 37.97 2bbn n PHE 16 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2bbn h SER 17 N 0.00 0.22 0.09 4.37 4.64 -0.61 -3.24 113.55 119.03 2bbn h SER 17 Ca 0.00 -0.42 -0.30 0.00 -0.47 0.00 0.00 61.79 60.60 2bbn h SER 17 Cb 0.16 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2bbn h SER 17 CO 0.00 1.37 -1.58 0.25 -0.87 0.00 0.00 176.83 176.00 2bbn h LEU 18 N 0.04 0.29 0.26 5.97 6.46 0.19 -3.41 115.31 125.12 2bbn h LEU 18 Ca -0.30 -0.80 -0.01 0.00 -0.12 0.00 0.00 57.88 56.65 2bbn h LEU 18 Cb 2.01 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.84 2bbn h LEU 18 CO 0.11 1.67 -0.16 0.15 -0.62 0.00 0.00 178.44 179.59 2bbn h PHE 19 N -0.35 -0.44 -3.12 1.25 3.04 -0.60 -3.38 116.94 113.35 2bbn h PHE 19 Ca -0.36 -0.00 -0.55 0.00 3.98 0.00 0.00 57.97 61.03 2bbn h PHE 19 Cb 1.74 0.16 -0.06 0.00 2.56 0.00 0.00 35.95 40.34 2bbn h PHE 19 CO 0.10 -0.24 1.05 0.34 -2.02 0.00 0.00 178.31 177.53 2bbn s ASP 20 N -2.78 6.31 0.00 0.41 2.15 -1.22 -4.84 116.67 116.70 2bbn s ASP 20 Ca -0.06 0.39 0.26 0.00 0.43 0.00 0.00 52.55 53.57 2bbn s ASP 20 Cb 0.01 -2.55 1.42 0.00 -0.30 0.00 0.00 42.92 41.50 2bbn s ASP 20 CO 0.20 -1.54 1.91 0.29 -0.17 0.00 0.00 175.17 175.85 2bbn n LYS 21 N 8.39 0.55 -0.10 4.34 5.02 -1.26 -3.57 118.16 131.52 2bbn n LYS 21 Ca 0.12 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.25 2bbn n LYS 21 Cb 0.49 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 2bbn n LYS 21 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2bbn h ASP 22 N 0.00 0.00 0.00 4.39 3.04 -1.92 -3.49 116.42 118.44 2bbn h ASP 22 Ca 0.00 -0.48 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2bbn h ASP 22 Cb 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.44 2bbn h ASP 22 CO 0.00 1.36 0.00 0.61 -2.04 0.00 0.00 179.24 179.17 2bbn n GLY 23 N 1.47 1.27 0.35 7.15 0.00 -1.23 -5.01 105.19 109.19 2bbn n GLY 23 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 2bbn n GLY 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bbn h ASP 24 N 0.94 -1.16 -0.38 1.61 3.32 -1.91 -3.46 116.42 115.39 2bbn h ASP 24 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2bbn h ASP 24 Cb 0.00 0.63 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2bbn h ASP 24 CO 0.00 -0.29 0.00 0.61 -1.72 0.00 0.00 179.24 177.84 2bbn n GLY 25 N -1.48 1.03 2.92 2.75 0.00 -1.26 -5.09 105.19 104.06 2bbn n GLY 25 Ca 0.09 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.38 0.29 -0.23 2.61 -4.23 -1.26 -4.63 115.64 105.81 2bbn s THR 26 Ca 0.00 -0.14 -0.23 0.00 -1.18 0.00 0.00 61.69 60.14 2bbn s THR 26 Cb 0.00 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.57 2bbn s THR 26 CO 0.00 0.09 0.76 -0.63 -0.54 0.00 0.00 174.62 174.30 2bbn s ILE 27 N -0.00 4.90 0.28 2.99 -1.09 -1.18 -4.88 121.20 122.21 2bbn s ILE 27 Ca 0.00 1.44 0.04 0.00 -2.23 0.00 0.00 60.65 59.91 2bbn s ILE 27 Cb -0.02 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 2bbn s ILE 27 CO -0.00 -0.01 0.22 0.28 -1.23 0.00 0.00 174.94 174.19 2bbn s THR 28 N 2.55 0.01 0.58 2.92 -1.32 -1.26 -3.11 115.64 116.00 2bbn s THR 28 Ca 0.33 -2.00 0.28 0.00 -1.21 0.00 0.00 61.69 59.09 2bbn s THR 28 Cb -0.16 -2.50 0.34 0.00 -1.51 0.00 0.00 72.50 68.68 2bbn s THR 28 CO 0.09 0.00 2.24 0.71 -2.21 0.00 0.00 174.62 175.45 2bbn h THR 29 N 2.32 0.59 0.17 5.08 1.35 -1.96 0.44 112.91 120.90 2bbn h THR 29 Ca -0.29 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 2bbn h THR 29 Cb 1.24 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2bbn h THR 29 CO 0.43 0.00 -0.08 0.50 -0.25 0.00 0.00 175.52 176.12 2bbn h LYS 30 N 0.00 -0.22 -0.05 4.72 3.64 -1.95 -1.16 116.57 121.54 2bbn h LYS 30 Ca -0.00 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2bbn h LYS 30 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2bbn h LYS 30 CO 0.00 0.20 -0.17 0.93 -2.27 0.00 0.00 179.45 178.14 2bbn h GLU 31 N -0.80 0.21 -1.00 1.90 5.08 -1.82 -2.59 114.58 115.57 2bbn h GLU 31 Ca -0.02 -0.16 0.15 0.00 -1.00 0.00 0.00 59.36 58.33 2bbn h GLU 31 Cb 0.52 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 2bbn h GLU 31 CO 0.04 0.78 0.62 1.25 -1.00 0.00 0.00 179.01 180.70 2bbn h LEU 32 N -0.31 0.85 0.42 1.33 5.85 -0.25 -1.90 115.31 121.31 2bbn h LEU 32 Ca -0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2bbn h LEU 32 Cb 0.80 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2bbn h LEU 32 CO 0.04 0.40 -0.20 1.23 -0.34 0.00 0.00 178.44 179.56 2bbn h GLY 33 N 0.88 -0.59 -0.96 3.75 0.00 -1.17 -0.25 103.07 104.73 2bbn h GLY 33 Ca 0.53 0.22 0.14 0.00 0.00 0.00 0.00 47.33 48.22 2bbn h GLY 33 CO -0.30 -0.22 -0.41 -0.91 0.00 0.00 0.00 176.54 174.70 2bbn h THR 34 N -0.76 0.01 0.00 4.70 1.35 -1.20 1.01 112.91 118.02 2bbn h THR 34 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2bbn h THR 34 Cb 0.44 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 2bbn h THR 34 CO 0.10 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.89 2bbn n VAL 35 N -5.44 0.00 0.16 6.82 0.31 -0.74 -2.07 118.33 117.37 2bbn n VAL 35 Ca 0.09 0.94 0.13 0.00 -0.01 0.00 0.00 64.34 65.49 2bbn n VAL 35 Cb 0.38 -1.80 0.35 0.00 -0.91 0.00 0.00 33.84 31.86 2bbn n VAL 35 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2bbn h MET 36 N 0.00 0.00 0.07 5.55 -1.53 -0.87 1.13 114.93 119.28 2bbn h MET 36 Ca 0.00 0.00 -0.27 0.00 -3.44 0.00 0.00 59.70 55.99 2bbn h MET 36 Cb 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.07 2bbn h MET 36 CO 0.00 0.00 -1.13 -0.09 0.14 0.00 0.00 176.91 175.83 2bbn h ARG 37 N 0.00 0.53 0.00 0.39 2.43 0.12 -3.02 114.38 114.84 2bbn h ARG 37 Ca 0.16 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2bbn h ARG 37 Cb 1.92 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.68 2bbn h ARG 37 CO -0.00 1.28 0.00 0.43 -1.51 0.00 0.00 179.97 180.16 2bbn n SER 38 N -3.75 0.00 0.00 -3.80 7.64 0.39 -0.42 113.62 113.68 2bbn n SER 38 Ca -0.11 0.07 0.10 0.00 1.01 0.00 0.00 58.87 59.95 2bbn n SER 38 Cb 0.93 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.88 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 -1.16 0.77 0.00 -3.43 4.32 -1.14 -4.99 117.00 111.38 2bbn n LEU 39 Ca 0.02 -0.35 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 2bbn n LEU 39 Cb 0.02 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2bbn n LEU 39 CO 0.03 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.99 2bbn n GLY 40 N 1.45 0.79 3.48 -0.72 0.00 0.44 -5.14 105.19 105.50 2bbn n GLY 40 Ca 0.03 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.26 2bbn n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bbn s GLN 41 N -1.58 0.25 -0.43 1.61 -0.44 -1.23 -5.04 119.66 112.80 2bbn s GLN 41 Ca 0.00 0.54 0.06 0.00 -2.50 0.00 0.00 55.36 53.46 2bbn s GLN 41 Cb 0.00 0.22 0.21 0.00 -1.64 0.00 0.00 33.01 31.80 2bbn s GLN 41 CO 0.00 -0.07 0.47 -1.71 0.50 0.00 0.00 175.29 174.47 2bbn n ASN 42 N 4.27 0.33 -4.54 6.67 5.15 -1.26 -3.97 115.26 121.91 2bbn n ASN 42 Ca -0.13 -2.65 -0.28 0.00 -0.60 0.00 0.00 54.58 50.92 2bbn n ASN 42 Cb 0.55 -0.61 0.22 0.00 -0.53 0.00 0.00 39.78 39.41 2bbn n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2bbn s PRO 43 N -0.81 -0.41 0.60 1.20 0.05 -1.26 -5.01 135.00 129.35 2bbn s PRO 43 Ca 0.34 0.59 -0.11 0.00 0.05 0.00 0.00 61.00 61.87 2bbn s PRO 43 Cb 0.11 -1.63 -0.04 0.00 0.05 0.00 0.00 34.50 32.98 2bbn s PRO 43 CO -0.14 -3.32 1.00 -0.08 0.05 0.00 0.00 177.00 174.51 2bbn s THR 44 N -2.73 4.72 0.17 1.26 -1.32 -1.26 -4.94 115.64 111.53 2bbn s THR 44 Ca 0.67 0.83 -0.14 0.00 -1.21 0.00 0.00 61.69 61.84 2bbn s THR 44 Cb -0.21 -3.86 0.06 0.00 -1.51 0.00 0.00 72.50 66.98 2bbn s THR 44 CO 0.61 -1.08 1.79 -0.33 -2.21 0.00 0.00 174.62 173.40 2bbn h GLU 45 N -0.16 0.72 -0.22 7.08 5.08 -1.99 -2.13 114.58 122.96 2bbn h GLU 45 Ca -0.45 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 57.90 2bbn h GLU 45 Cb 1.19 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 2bbn h GLU 45 CO 0.62 0.54 -0.25 0.00 -1.00 0.00 0.00 179.01 178.92 2bbn h ALA 46 N 1.15 -0.16 0.00 3.43 0.00 -1.99 0.45 119.26 122.14 2bbn h ALA 46 Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2bbn h ALA 46 Cb 0.01 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2bbn h ALA 46 CO -0.03 -0.68 -0.09 0.93 0.00 0.00 0.00 179.25 179.37 2bbn h GLU 47 N -0.27 0.00 0.00 0.00 5.08 -1.91 -1.87 114.58 115.62 2bbn h GLU 47 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2bbn h GLU 47 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2bbn h GLU 47 CO -0.38 0.09 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.63 2bbn h LEU 48 N 0.00 0.00 -1.72 1.33 3.38 -0.12 -2.66 115.31 115.52 2bbn h LEU 48 Ca -0.00 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.33 2bbn h LEU 48 Cb 0.26 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 2bbn h LEU 48 CO 0.01 0.19 0.86 -0.61 0.09 0.00 0.00 178.44 178.98 2bbn h GLN 49 N -0.35 0.12 0.06 1.13 4.15 -0.28 0.63 115.11 120.57 2bbn h GLN 49 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2bbn h GLN 49 Cb 0.03 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2bbn h GLN 49 CO 0.00 0.08 -0.03 0.22 -1.93 0.00 0.00 178.83 177.17 2bbn h ASP 50 N 0.12 -0.07 0.12 -0.69 3.58 -1.45 -0.75 116.42 117.29 2bbn h ASP 50 Ca 0.66 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.75 2bbn h ASP 50 Cb 2.27 0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.33 2bbn h ASP 50 CO -0.16 0.33 0.00 0.80 -2.88 0.00 0.00 179.24 177.33 2bbn n MET 51 N -4.94 0.09 -0.01 0.28 1.56 0.20 -1.76 117.12 112.54 2bbn n MET 51 Ca -0.08 0.54 -0.22 0.00 -0.27 0.00 0.00 57.70 57.67 2bbn n MET 51 Cb 0.22 -1.76 -0.14 0.00 2.15 0.00 0.00 33.22 33.69 2bbn n MET 51 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2bbn h ILE 52 N 0.00 0.73 0.24 1.12 1.08 -0.42 -3.39 117.51 116.87 2bbn h ILE 52 Ca 0.00 -2.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 2bbn h ILE 52 Cb 0.06 2.48 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 2bbn h ILE 52 CO 0.00 0.77 -0.24 0.78 -0.69 0.00 0.00 178.15 178.77 2bbn h ASN 53 N -0.17 -0.64 0.00 1.72 2.35 -0.31 0.18 115.58 118.71 2bbn h ASN 53 Ca -0.40 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2bbn h ASN 53 Cb 1.87 0.22 0.00 0.00 0.05 0.00 0.00 38.32 40.46 2bbn h ASN 53 CO 0.03 -0.35 0.64 -0.08 -1.65 0.00 0.00 177.43 176.03 2bbn h GLU 54 N -0.51 0.00 0.00 0.81 4.81 -1.70 0.29 114.58 118.28 2bbn h GLU 54 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 2bbn h GLU 54 Cb 0.48 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 2bbn h GLU 54 CO -0.05 0.00 -2.07 0.28 -0.73 0.00 0.00 179.01 176.44 2bbn n VAL 55 N -2.24 1.07 -2.39 0.32 0.31 -0.13 -4.92 118.33 110.35 2bbn n VAL 55 Ca -0.01 -0.45 -0.43 0.00 -0.01 0.00 0.00 64.34 63.44 2bbn n VAL 55 Cb 0.66 -1.07 -0.02 0.00 -0.91 0.00 0.00 33.84 32.50 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2bbn s ASP 56 N -5.65 6.90 0.13 4.52 -1.08 0.10 -4.91 116.67 116.68 2bbn s ASP 56 Ca -0.22 1.69 -0.20 0.00 -0.52 0.00 0.00 52.55 53.31 2bbn s ASP 56 Cb 0.06 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.96 2bbn s ASP 56 CO 0.47 -0.80 1.71 0.00 0.52 0.00 0.00 175.17 177.06 2bbn h ALA 57 N 8.42 0.16 0.00 3.66 0.00 -1.91 -3.34 119.26 126.24 2bbn h ALA 57 Ca -0.27 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2bbn h ALA 57 Cb 1.11 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bbn h ALA 57 CO 0.97 -0.46 -0.00 -0.44 0.00 0.00 0.00 179.25 179.33 2bbn h ASP 58 N 0.03 0.00 0.00 0.00 3.32 -1.92 -3.50 116.42 114.35 2bbn h ASP 58 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2bbn h ASP 58 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2bbn h ASP 58 CO -0.20 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.94 2bbn n GLY 59 N 1.90 0.00 0.27 2.75 0.00 -1.26 -5.02 105.19 103.83 2bbn n GLY 59 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2bbn n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bbn h ASN 60 N 0.00 0.00 0.00 1.61 -0.26 -1.96 -3.46 115.58 111.51 2bbn h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2bbn h ASN 60 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2bbn h ASN 60 CO 0.00 0.06 0.00 0.61 -1.06 0.00 0.00 177.43 177.04 2bbn n GLY 61 N 0.01 0.87 3.40 2.83 0.00 -1.26 -5.02 105.19 106.03 2bbn n GLY 61 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.68 0.04 0.04 2.61 -4.23 -1.26 -4.42 115.64 105.74 2bbn s THR 62 Ca 0.00 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.24 2bbn s THR 62 Cb 0.00 -1.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 2bbn s THR 62 CO 0.00 -0.20 -0.19 0.27 -0.54 0.00 0.00 174.62 173.96 2bbn s ILE 63 N -3.97 1.49 0.00 2.99 -0.00 -1.18 -4.99 121.20 115.53 2bbn s ILE 63 Ca 0.18 -1.12 0.00 0.00 -0.00 0.00 0.00 60.65 59.71 2bbn s ILE 63 Cb 0.02 -1.30 0.00 0.00 -0.00 0.00 0.00 42.46 41.18 2bbn s ILE 63 CO 0.02 0.16 0.00 0.47 -0.00 0.00 0.00 174.94 175.58 2bbn n ASP 64 N 1.91 0.00 -0.09 4.36 9.92 -1.26 -3.10 116.55 128.28 2bbn n ASP 64 Ca -0.17 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.96 2bbn n ASP 64 Cb 0.54 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.97 2bbn n ASP 64 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2bbn n PHE 65 N 0.00 0.40 -0.23 1.24 3.72 -1.26 -3.84 117.46 117.48 2bbn n PHE 65 Ca 0.00 0.17 0.03 0.00 -0.05 0.00 0.00 57.45 57.60 2bbn n PHE 65 Cb 0.00 -0.73 0.15 0.00 -0.94 0.00 0.00 39.48 37.95 2bbn n PHE 65 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2bbn h PRO 66 N -1.00 0.41 -0.69 -1.08 0.11 -2.00 -0.86 132.00 126.89 2bbn h PRO 66 Ca -0.16 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.90 2bbn h PRO 66 Cb 0.99 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 2bbn h PRO 66 CO -0.10 0.27 0.33 0.93 -0.21 0.00 0.00 178.00 179.22 2bbn h GLU 67 N 0.42 0.99 -0.85 1.05 5.08 -1.96 -2.30 114.58 117.00 2bbn h GLU 67 Ca 0.36 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2bbn h GLU 67 Cb 0.50 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2bbn h GLU 67 CO -0.36 0.78 0.52 0.35 -1.00 0.00 0.00 179.01 179.30 2bbn h PHE 68 N 0.95 0.96 0.39 4.33 3.57 -1.28 0.24 116.94 126.10 2bbn h PHE 68 Ca 0.24 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2bbn h PHE 68 Cb 0.12 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2bbn h PHE 68 CO 0.00 0.47 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.30 2bbn h LEU 69 N 0.94 -0.45 -2.00 0.59 3.38 -0.99 -2.39 115.31 114.39 2bbn h LEU 69 Ca 0.38 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.56 2bbn h LEU 69 Cb 0.20 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2bbn h LEU 69 CO -0.18 -0.24 0.52 0.00 0.09 0.00 0.00 178.44 178.62 2bbn h THR 70 N -0.69 0.62 -0.58 0.22 1.03 -1.36 0.85 112.91 113.00 2bbn h THR 70 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.28 2bbn h THR 70 Cb 0.41 0.64 -0.02 0.00 -1.07 0.00 0.00 68.15 68.10 2bbn h THR 70 CO 0.09 0.00 0.09 -0.03 -0.01 0.00 0.00 175.52 175.66 2bbn h MET 71 N 0.00 0.93 0.00 0.00 1.85 -0.38 -0.69 114.93 116.65 2bbn h MET 71 Ca 0.33 -0.23 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 2bbn h MET 71 Cb 1.36 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 33.27 2bbn h MET 71 CO -0.00 0.87 -1.01 -0.12 -0.40 0.00 0.00 176.91 176.24 2bbn n MET 72 N -4.23 0.14 0.00 0.39 0.00 0.93 -4.00 117.12 110.34 2bbn n MET 72 Ca 0.04 -0.02 0.12 0.00 0.00 0.00 0.00 57.70 57.84 2bbn n MET 72 Cb 0.27 -1.53 0.23 0.00 0.00 0.00 0.00 33.22 32.20 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 -1.66 3.54 -1.60 -5.12 0.00 0.26 -4.82 120.51 111.11 2bbn n ALA 73 Ca 0.03 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.72 2bbn n ALA 73 Cb 0.38 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 2bbn n ALA 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2bbn s ARG 74 N -2.78 2.06 0.04 0.00 3.52 -0.29 -4.92 118.95 116.57 2bbn s ARG 74 Ca 0.16 1.19 0.01 0.00 -0.13 0.00 0.00 55.73 56.97 2bbn s ARG 74 Cb 0.18 -4.61 -0.04 0.00 -1.56 0.00 0.00 34.95 28.92 2bbn s ARG 74 CO 0.65 -3.42 0.08 -1.59 -0.81 0.00 0.00 175.30 170.21 2bbn s LYS 75 N 8.26 2.97 -0.81 5.12 -2.85 -1.26 -5.05 119.74 126.13 2bbn s LYS 75 Ca 0.94 -0.59 0.02 0.00 -1.00 0.00 0.00 55.97 55.35 2bbn s LYS 75 Cb -0.16 -2.79 0.29 0.00 -2.06 0.00 0.00 37.83 33.11 2bbn s LYS 75 CO 0.23 0.61 1.14 -1.33 0.10 0.00 0.00 175.35 176.09 2bbn n MET 76 N 0.84 3.60 -3.12 1.78 2.81 -1.26 -4.94 117.12 116.82 2bbn n MET 76 Ca -0.11 -4.68 -0.00 0.00 -1.81 0.00 0.00 57.70 51.10 2bbn n MET 76 Cb 0.52 -2.36 -0.00 0.00 -0.71 0.00 0.00 33.22 30.67 2bbn n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2bbn n LYS 77 N 0.67 -0.78 -2.52 0.03 4.76 -1.26 -4.42 118.16 114.64 2bbn n LYS 77 Ca 0.31 1.05 -0.02 0.00 -2.87 0.00 0.00 58.31 56.78 2bbn n LYS 77 Cb 0.36 -1.30 -0.02 0.00 -1.84 0.00 0.00 35.03 32.23 2bbn n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2bbn n ASP 78 N 1.54 -4.47 -4.88 4.39 2.03 -1.26 -5.03 116.55 108.87 2bbn n ASP 78 Ca -0.01 1.43 -0.27 0.00 0.52 0.00 0.00 54.79 56.47 2bbn n ASP 78 Cb 0.36 -4.24 -0.02 0.00 -0.72 0.00 0.00 41.12 36.50 2bbn n ASP 78 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2bbn s THR 79 N -0.46 1.66 0.00 5.18 -4.23 -1.26 -5.04 115.64 111.49 2bbn s THR 79 Ca -0.12 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2bbn s THR 79 Cb 0.01 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.63 2bbn s THR 79 CO 0.31 0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 173.72 2bbn n ASP 80 N -1.67 0.00 -4.65 3.99 -0.08 -1.26 -5.10 116.55 107.79 2bbn n ASP 80 Ca -0.04 -0.46 -0.42 0.00 -1.51 0.00 0.00 54.79 52.36 2bbn n ASP 80 Cb 0.65 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.08 2bbn n ASP 80 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2bbn s SER 81 N 0.00 6.39 0.00 1.67 0.15 -1.26 -4.82 113.70 115.83 2bbn s SER 81 Ca 0.00 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.03 2bbn s SER 81 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2bbn s SER 81 CO 0.00 -1.14 0.93 -1.84 1.20 0.00 0.00 173.24 172.39 2bbn n GLU 82 N 7.58 2.43 -0.10 5.44 0.28 -1.26 -4.68 120.64 130.33 2bbn n GLU 82 Ca 0.20 -1.36 0.25 0.00 -0.16 0.00 0.00 57.16 56.10 2bbn n GLU 82 Cb 0.42 -1.00 0.72 0.00 1.43 0.00 0.00 31.44 33.01 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2bbn h GLU 83 N 0.00 0.00 0.29 3.44 4.39 -2.00 -0.77 114.58 119.93 2bbn h GLU 83 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2bbn h GLU 83 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2bbn h GLU 83 CO 0.00 0.00 -0.14 0.93 -1.16 0.00 0.00 179.01 178.64 2bbn h GLU 84 N 0.00 -0.37 -1.18 2.33 5.08 -2.00 -2.35 114.58 116.08 2bbn h GLU 84 Ca 0.35 0.03 0.35 0.00 -1.00 0.00 0.00 59.36 59.09 2bbn h GLU 84 Cb 1.47 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.70 2bbn h GLU 84 CO -0.00 -0.25 0.77 0.82 -1.00 0.00 0.00 179.01 179.35 2bbn h ILE 85 N -0.86 0.33 0.75 3.13 5.03 -1.72 0.23 117.51 124.39 2bbn h ILE 85 Ca -0.04 -0.08 -0.04 0.00 -0.12 0.00 0.00 64.86 64.59 2bbn h ILE 85 Cb 0.30 0.08 0.01 0.00 -3.03 0.00 0.00 36.82 34.18 2bbn h ILE 85 CO 0.07 0.04 -0.36 -0.09 -0.68 0.00 0.00 178.15 177.13 2bbn h ARG 86 N 0.22 -0.96 -0.94 2.37 2.43 -1.16 -1.94 114.38 114.40 2bbn h ARG 86 Ca 0.70 0.07 0.27 0.00 -0.81 0.00 0.00 59.98 60.21 2bbn h ARG 86 Cb 2.06 0.22 -0.14 0.00 -0.42 0.00 0.00 29.97 31.68 2bbn h ARG 86 CO -0.33 -0.63 0.39 0.93 -1.51 0.00 0.00 179.97 178.82 2bbn h GLU 87 N -1.23 0.26 0.22 0.20 3.07 -0.41 0.42 114.58 117.11 2bbn h GLU 87 Ca -0.10 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2bbn h GLU 87 Cb 0.78 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2bbn h GLU 87 CO 0.17 0.17 -0.11 0.00 -1.40 0.00 0.00 179.01 177.84 2bbn h ALA 88 N 1.81 -0.30 -0.74 3.43 0.00 -1.20 -0.46 119.26 121.80 2bbn h ALA 88 Ca 0.64 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.59 2bbn h ALA 88 Cb 1.36 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2bbn h ALA 88 CO -0.63 -0.66 0.49 0.35 0.00 0.00 0.00 179.25 178.80 2bbn h PHE 89 N -0.31 0.60 -0.52 0.00 3.57 0.44 0.24 116.94 120.96 2bbn h PHE 89 Ca -0.03 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2bbn h PHE 89 Cb 0.24 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2bbn h PHE 89 CO -0.06 0.26 0.12 -0.09 -2.23 0.00 0.00 178.31 176.31 2bbn h ARG 90 N 0.54 0.80 0.07 1.11 2.43 0.63 -2.78 114.38 117.18 2bbn h ARG 90 Ca 0.35 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2bbn h ARG 90 Cb 0.64 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2bbn h ARG 90 CO -0.12 0.72 -0.03 0.28 -1.51 0.00 0.00 179.97 179.30 2bbn h VAL 91 N 0.77 1.11 -0.69 0.20 2.07 0.10 -3.04 116.25 116.77 2bbn h VAL 91 Ca 0.17 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.19 2bbn h VAL 91 Cb 0.29 1.52 -0.13 0.00 -1.52 0.00 0.00 31.29 31.45 2bbn h VAL 91 CO -0.00 0.16 -0.19 -0.26 0.02 0.00 0.00 177.57 177.29 2bbn h PHE 92 N -0.38 -0.43 -3.40 1.57 -1.00 -1.19 -3.32 116.94 108.79 2bbn h PHE 92 Ca -0.01 0.06 -0.56 0.00 2.81 0.00 0.00 57.97 60.27 2bbn h PHE 92 Cb 0.33 0.30 -0.06 0.00 3.61 0.00 0.00 35.95 40.13 2bbn h PHE 92 CO 0.02 -0.31 1.02 0.34 -1.61 0.00 0.00 178.31 177.78 2bbn s ASP 93 N -5.23 6.42 0.00 2.17 -1.08 -1.06 -4.88 116.67 113.01 2bbn s ASP 93 Ca -0.14 0.66 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 2bbn s ASP 93 Cb 0.20 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 2bbn s ASP 93 CO 0.74 -1.40 0.84 0.29 0.52 0.00 0.00 175.17 176.16 2bbn n LYS 94 N 8.05 0.00 0.06 4.34 4.76 -1.25 -3.73 118.16 130.39 2bbn n LYS 94 Ca 0.15 0.76 -0.03 0.00 -2.87 0.00 0.00 58.31 56.32 2bbn n LYS 94 Cb 0.48 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 32.32 2bbn n LYS 94 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2bbn h ASP 95 N 0.00 -0.19 0.00 4.39 2.03 -1.91 -3.48 116.42 117.26 2bbn h ASP 95 Ca 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 2bbn h ASP 95 Cb 0.00 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 2bbn h ASP 95 CO 0.00 0.14 0.00 0.61 -1.03 0.00 0.00 179.24 178.96 2bbn n GLY 96 N 1.09 0.03 0.20 7.15 0.00 -1.24 -5.03 105.19 107.38 2bbn n GLY 96 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 2bbn n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2bbn h ASN 97 N 0.00 0.00 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.71 2bbn h ASN 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2bbn h ASN 97 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2bbn h ASN 97 CO 0.00 0.22 0.00 0.61 0.07 0.00 0.00 177.43 178.33 2bbn n GLY 98 N 0.88 0.69 2.87 9.14 0.00 -1.26 -5.06 105.19 112.46 2bbn n GLY 98 Ca 0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.00 -0.23 0.10 1.61 0.08 -1.26 -4.41 117.98 111.86 2bbn s PHE 99 Ca 0.00 0.69 -0.26 0.00 0.12 0.00 0.00 56.93 57.48 2bbn s PHE 99 Cb 0.00 -0.21 -0.06 0.00 -0.57 0.00 0.00 43.02 42.17 2bbn s PHE 99 CO 0.00 -0.29 0.82 0.42 -0.10 0.00 0.00 175.22 176.07 2bbn s ILE 100 N 2.32 4.55 0.37 0.64 1.01 -0.94 -4.90 121.20 124.25 2bbn s ILE 100 Ca 0.03 1.76 0.08 0.00 0.00 0.00 0.00 60.65 62.52 2bbn s ILE 100 Cb -0.12 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 2bbn s ILE 100 CO -0.06 0.40 0.09 -0.94 0.00 0.00 0.00 174.94 174.43 2bbn s SER 101 N -0.40 4.30 0.19 3.58 1.04 -1.26 -3.44 113.70 117.71 2bbn s SER 101 Ca 0.40 -1.04 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 2bbn s SER 101 Cb -0.22 -0.52 0.10 0.00 0.10 0.00 0.00 66.02 65.47 2bbn s SER 101 CO 0.26 -0.38 1.62 0.00 0.98 0.00 0.00 173.24 175.72 2bbn h ALA 102 N 1.63 0.82 0.21 5.32 0.00 -1.97 -3.15 119.26 122.13 2bbn h ALA 102 Ca -0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 2bbn h ALA 102 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2bbn h ALA 102 CO 0.69 0.66 -0.10 0.00 0.00 0.00 0.00 179.25 180.50 2bbn h ALA 103 N 1.00 -0.29 -1.26 0.00 0.00 -1.99 -2.69 119.26 114.03 2bbn h ALA 103 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bbn h ALA 103 Cb 0.65 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2bbn h ALA 103 CO 0.05 -0.45 0.00 0.39 0.00 0.00 0.00 179.25 179.23 2bbn n GLU 104 N -5.04 0.00 -0.28 0.00 1.02 -1.23 -1.93 120.64 113.18 2bbn n GLU 104 Ca -0.09 0.69 -0.02 0.00 -0.02 0.00 0.00 57.16 57.72 2bbn n GLU 104 Cb 0.25 -1.29 0.04 0.00 -0.02 0.00 0.00 31.44 30.42 2bbn n GLU 104 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2bbn h LEU 105 N 0.00 -1.17 -1.54 -4.62 5.85 -1.68 0.62 115.31 112.77 2bbn h LEU 105 Ca 0.00 0.26 0.45 0.00 0.84 0.00 0.00 57.88 59.43 2bbn h LEU 105 Cb 0.00 0.62 -0.11 0.00 0.37 0.00 0.00 40.66 41.54 2bbn h LEU 105 CO 0.00 -0.29 0.95 -0.09 -0.34 0.00 0.00 178.44 178.67 2bbn h ARG 106 N -0.08 0.07 0.22 1.25 2.43 -1.03 0.86 114.38 118.11 2bbn h ARG 106 Ca 0.30 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.17 2bbn h ARG 106 Cb 0.58 -0.01 0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2bbn h ARG 106 CO -0.82 0.04 -1.31 1.25 -1.51 0.00 0.00 179.97 177.62 2bbn h HIS 107 N 0.07 0.86 0.00 2.20 2.76 0.81 -2.79 115.15 119.06 2bbn h HIS 107 Ca 0.83 -0.63 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2bbn h HIS 107 Cb 2.76 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 31.69 2bbn h HIS 107 CO -0.00 1.50 0.00 0.28 -1.30 0.00 0.00 177.93 178.41 2bbn n VAL 108 N -3.83 0.52 -0.11 5.26 0.31 0.25 -2.40 118.33 118.33 2bbn n VAL 108 Ca -0.16 0.13 -0.21 0.00 -0.01 0.00 0.00 64.34 64.08 2bbn n VAL 108 Cb 1.03 -0.80 -0.09 0.00 -0.91 0.00 0.00 33.84 33.07 2bbn n VAL 108 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2bbn n MET 109 N -1.39 0.56 0.22 5.55 0.00 0.13 -3.97 117.12 118.21 2bbn n MET 109 Ca 0.07 0.42 0.05 0.00 0.00 0.00 0.00 57.70 58.25 2bbn n MET 109 Cb 0.19 -1.62 0.51 0.00 0.00 0.00 0.00 33.22 32.31 2bbn n MET 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2bbn h THR 110 N -1.00 1.11 -0.29 1.12 1.03 -1.52 -1.01 112.91 112.35 2bbn h THR 110 Ca -0.40 -0.53 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 2bbn h THR 110 Cb 1.29 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 69.63 2bbn h THR 110 CO -0.24 0.15 0.00 0.59 -0.01 0.00 0.00 175.52 176.01 2bbn n ASN 111 N -4.36 3.12 -0.20 0.00 5.03 -1.01 -3.59 115.26 114.25 2bbn n ASN 111 Ca -0.02 -2.39 0.06 0.00 0.87 0.00 0.00 54.58 53.10 2bbn n ASN 111 Cb 0.22 -0.54 -0.02 0.00 -1.02 0.00 0.00 39.78 38.41 2bbn n ASN 111 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2bbn n LEU 112 N 0.34 1.14 0.00 3.41 7.94 -0.38 -4.99 117.00 124.46 2bbn n LEU 112 Ca 0.13 -0.69 0.00 0.00 -1.11 0.00 0.00 56.01 54.35 2bbn n LEU 112 Cb 0.66 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.61 2bbn n LEU 112 CO 0.15 0.23 0.00 0.61 -1.11 0.00 0.00 177.39 177.27 2bbn n GLY 113 N 1.09 2.41 0.00 -3.96 0.00 -1.24 -5.08 105.19 98.41 2bbn n GLY 113 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.51 -3.11 1.61 -0.58 -1.26 -5.02 120.64 111.77 2bbn n GLU 114 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 2bbn n GLU 114 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 2bbn n GLU 114 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2bbn s LYS 115 N -1.87 0.87 -1.30 3.49 2.20 -1.26 -4.51 119.74 117.36 2bbn s LYS 115 Ca 0.00 -0.55 -0.07 0.00 -0.36 0.00 0.00 55.97 54.99 2bbn s LYS 115 Cb 0.00 -0.03 0.14 0.00 -1.51 0.00 0.00 37.83 36.43 2bbn s LYS 115 CO 0.00 -1.23 2.20 1.28 -0.36 0.00 0.00 175.35 177.24 2bbn n LEU 116 N 3.99 7.57 0.00 5.43 4.77 -1.26 -4.97 117.00 132.53 2bbn n LEU 116 Ca 0.13 -4.82 0.00 0.00 -0.03 0.00 0.00 56.01 51.29 2bbn n LEU 116 Cb 0.56 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2bbn n LEU 116 CO 0.01 1.83 0.00 0.35 -1.33 0.00 0.00 177.39 178.25 2bbn n THR 117 N 2.24 0.00 0.00 -5.08 -2.24 -1.26 -4.43 114.28 103.51 2bbn n THR 117 Ca 0.54 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 2bbn n THR 117 Cb 0.29 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 2bbn n THR 117 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2bbn n ASP 118 N 0.84 0.00 -0.30 3.42 2.03 -1.26 -4.92 116.55 116.36 2bbn n ASP 118 Ca 0.00 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.48 2bbn n ASP 118 Cb 0.00 0.17 0.43 0.00 -0.72 0.00 0.00 41.12 41.00 2bbn n ASP 118 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2bbn h GLU 119 N 0.00 0.54 0.26 -0.67 4.11 -2.00 -2.04 114.58 114.78 2bbn h GLU 119 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2bbn h GLU 119 Cb 0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2bbn h GLU 119 CO 0.00 0.36 -0.31 0.93 0.07 0.00 0.00 179.01 180.06 2bbn h GLU 120 N 0.56 -0.56 -0.01 1.06 5.08 -1.92 -1.20 114.58 117.60 2bbn h GLU 120 Ca 0.53 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.96 2bbn h GLU 120 Cb 1.09 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 2bbn h GLU 120 CO -0.27 -0.37 -0.46 0.28 -1.00 0.00 0.00 179.01 177.19 2bbn h VAL 121 N -0.58 0.10 -0.94 3.13 2.07 -1.63 -0.48 116.25 117.92 2bbn h VAL 121 Ca -0.03 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.74 2bbn h VAL 121 Cb 0.52 0.10 -0.17 0.00 -1.52 0.00 0.00 31.29 30.21 2bbn h VAL 121 CO -0.07 0.00 0.03 0.44 0.02 0.00 0.00 177.57 177.99 2bbn h ASP 122 N -0.60 -0.43 0.51 0.57 3.32 -1.29 1.54 116.42 120.04 2bbn h ASP 122 Ca 0.04 0.26 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 2bbn h ASP 122 Cb 0.68 0.45 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2bbn h ASP 122 CO -0.34 -0.31 -0.44 -0.33 -1.72 0.00 0.00 179.24 176.10 2bbn h GLU 123 N 0.04 0.00 -0.05 3.56 4.39 0.03 -2.36 114.58 120.19 2bbn h GLU 123 Ca 0.56 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.19 2bbn h GLU 123 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2bbn h GLU 123 CO -0.86 0.44 -0.23 0.52 -1.16 0.00 0.00 179.01 177.72 2bbn h MET 124 N 0.00 0.25 -0.29 2.33 2.86 0.36 -2.85 114.93 117.59 2bbn h MET 124 Ca -0.00 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2bbn h MET 124 Cb 0.81 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 2bbn h MET 124 CO 0.06 0.84 0.17 0.82 1.06 0.00 0.00 176.91 179.86 2bbn h ILE 125 N -0.28 1.04 -0.15 -1.22 2.04 -0.54 0.24 117.51 118.65 2bbn h ILE 125 Ca -0.01 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.77 2bbn h ILE 125 Cb 0.88 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 2bbn h ILE 125 CO 0.05 0.07 -0.32 0.03 0.00 0.00 0.00 178.15 177.97 2bbn h ARG 126 N 0.36 -0.37 -0.26 2.37 2.47 -1.48 0.05 114.38 117.52 2bbn h ARG 126 Ca 0.11 0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.82 2bbn h ARG 126 Cb -0.01 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 2bbn h ARG 126 CO -0.05 -0.25 -0.00 1.05 0.56 0.00 0.00 179.97 181.28 2bbn h GLU 127 N -0.39 0.40 -0.23 0.04 4.11 -1.24 -1.79 114.58 115.48 2bbn h GLU 127 Ca 0.10 -0.07 0.07 0.00 0.07 0.00 0.00 59.36 59.52 2bbn h GLU 127 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2bbn h GLU 127 CO -0.36 0.43 0.21 0.00 0.07 0.00 0.00 179.01 179.36 2bbn h ALA 128 N 1.62 1.98 -2.12 1.06 0.00 0.15 -3.35 119.26 118.59 2bbn h ALA 128 Ca 0.09 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.30 2bbn h ALA 128 Cb 0.26 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.89 2bbn h ALA 128 CO 0.01 -0.33 0.02 -0.51 0.00 0.00 0.00 179.25 178.44 2bbn s ASP 129 N -6.06 6.22 0.08 0.00 1.01 -0.67 -4.88 116.67 112.37 2bbn s ASP 129 Ca -0.05 -0.90 0.26 0.00 0.71 0.00 0.00 52.55 52.57 2bbn s ASP 129 Cb 0.16 -2.28 1.01 0.00 1.01 0.00 0.00 42.92 42.82 2bbn s ASP 129 CO 0.61 -0.86 1.80 -0.38 0.21 0.00 0.00 175.17 176.54 2bbn n ILE 130 N 5.60 0.39 0.00 0.77 2.08 -1.26 -4.30 119.36 122.64 2bbn n ILE 130 Ca -0.07 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2bbn n ILE 130 Cb 0.45 -0.66 0.00 0.00 -0.75 0.00 0.00 39.64 38.69 2bbn n ILE 130 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2bbn n ASP 131 N -1.78 0.00 0.00 4.38 5.68 -1.26 -5.06 116.55 118.51 2bbn n ASP 131 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 2bbn n ASP 131 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 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 2.53 0.00 0.11 6.12 0.00 -1.26 -5.09 105.19 107.60 2bbn n GLY 132 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.68 0.00 1.61 5.68 -1.26 -5.04 116.55 119.22 2bbn n ASP 133 Ca 0.00 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 2bbn n ASP 133 Cb 0.00 -0.70 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 134 N 1.53 0.93 3.04 6.12 0.00 -1.26 -5.12 105.19 110.42 2bbn n GLY 134 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.27 0.11 1.61 -0.21 -1.26 -4.90 119.66 115.28 2bbn s GLN 135 Ca 0.00 -0.07 -0.16 0.00 0.02 0.00 0.00 55.36 55.15 2bbn s GLN 135 Cb 0.00 0.12 -0.07 0.00 1.00 0.00 0.00 33.01 34.06 2bbn s GLN 135 CO 0.00 -0.05 0.54 0.08 -2.12 0.00 0.00 175.29 173.74 2bbn s VAL 136 N -0.52 4.85 0.36 1.09 1.01 -1.22 -4.90 120.40 121.07 2bbn s VAL 136 Ca -0.06 0.93 0.04 0.00 0.00 0.00 0.00 61.98 62.89 2bbn s VAL 136 Cb -0.04 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2bbn s VAL 136 CO 0.00 0.37 0.16 0.54 0.00 0.00 0.00 175.10 176.17 2bbn s ASN 137 N -1.48 2.17 0.06 3.32 4.22 -1.26 -2.22 114.94 119.75 2bbn s ASN 137 Ca 0.34 -1.64 -0.33 0.00 -2.14 0.00 0.00 52.86 49.09 2bbn s ASN 137 Cb -0.16 0.45 -0.17 0.00 1.28 0.00 0.00 41.25 42.64 2bbn s ASN 137 CO 0.18 -0.92 1.51 0.22 -2.04 0.00 0.00 177.10 176.05 2bbn h TYR 138 N 2.00 -1.20 -0.89 1.54 3.20 -1.98 0.46 116.97 120.11 2bbn h TYR 138 Ca -0.33 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 61.77 2bbn h TYR 138 Cb 1.26 0.43 -0.15 0.00 1.54 0.00 0.00 36.73 39.81 2bbn h TYR 138 CO 1.34 -0.66 0.18 0.93 -1.64 0.00 0.00 178.16 178.30 2bbn h GLU 139 N -1.09 0.14 -0.14 1.82 5.08 -1.97 0.72 114.58 119.13 2bbn h GLU 139 Ca -0.09 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 2bbn h GLU 139 Cb 0.87 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2bbn h GLU 139 CO 0.09 0.09 -0.61 0.93 -1.00 0.00 0.00 179.01 178.51 2bbn h GLU 140 N 0.14 0.49 0.00 2.33 5.08 -1.88 -2.22 114.58 118.52 2bbn h GLU 140 Ca 0.56 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2bbn h GLU 140 Cb 1.13 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2bbn h GLU 140 CO -0.72 0.95 -0.30 0.35 -1.00 0.00 0.00 179.01 178.30 2bbn h PHE 141 N 0.37 0.00 0.21 4.33 3.04 0.50 -1.76 116.94 123.62 2bbn h PHE 141 Ca -0.01 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.66 2bbn h PHE 141 Cb 1.16 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.70 2bbn h PHE 141 CO 0.04 0.30 -1.24 0.28 -2.02 0.00 0.00 178.31 175.67 2bbn h VAL 142 N 0.00 1.35 -0.52 1.41 2.07 0.31 -2.72 116.25 118.14 2bbn h VAL 142 Ca -0.00 -2.62 -0.07 0.00 0.82 0.00 0.00 66.70 64.82 2bbn h VAL 142 Cb 0.74 3.09 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 2bbn h VAL 142 CO 0.04 0.77 0.06 0.74 0.02 0.00 0.00 177.57 179.20 2bbn h THR 143 N -0.06 1.26 0.30 2.57 2.02 -1.31 0.84 112.91 118.52 2bbn h THR 143 Ca -0.22 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 2bbn h THR 143 Cb 1.96 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2bbn h THR 143 CO 0.22 0.36 -0.14 0.24 0.37 0.00 0.00 175.52 176.56 2bbn h MET 144 N 0.76 -0.39 0.00 6.66 2.07 -1.42 -2.06 114.93 120.55 2bbn h MET 144 Ca 0.15 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.81 2bbn h MET 144 Cb 0.44 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.26 2bbn h MET 144 CO 0.02 -0.16 0.00 0.52 1.07 0.00 0.00 176.91 178.36 2bbn h MET 145 N -0.56 0.00 -1.84 1.72 2.07 -1.45 -3.39 114.93 111.47 2bbn h MET 145 Ca -0.04 0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.27 2bbn h MET 145 Cb 0.41 0.00 -0.30 0.00 -1.87 0.00 0.00 31.60 29.85 2bbn h MET 145 CO 0.07 0.00 -0.65 0.95 1.07 0.00 0.00 176.91 178.35 2bbn s THR 146 N -3.21 -0.43 -0.97 2.22 -4.23 0.29 -5.06 115.64 104.25 2bbn s THR 146 Ca 0.08 -0.80 -0.06 0.00 -1.18 0.00 0.00 61.69 59.73 2bbn s THR 146 Cb 0.11 -0.65 0.24 0.00 1.34 0.00 0.00 72.50 73.54 2bbn s THR 146 CO 0.54 -0.49 0.91 -0.94 -0.54 0.00 0.00 174.62 174.10 2bbn s SER 147 N 1.62 6.63 0.00 3.99 1.04 -0.80 -3.92 113.70 122.27 2bbn s SER 147 Ca 0.16 -3.52 0.27 0.00 0.48 0.00 0.00 55.95 53.33 2bbn s SER 147 Cb -0.14 -2.07 0.76 0.00 0.10 0.00 0.00 66.02 64.67 2bbn s SER 147 CO -0.08 -0.28 1.58 0.29 0.98 0.00 0.00 173.24 175.74