#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbn n ASP 2 N 0.00 0.00 -0.24 0.00 8.00 -1.26 -4.61 116.55 118.44 2bbn n ASP 2 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 2bbn n ASP 2 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.00 -1.84 -4.50 -1.24 3.00 -1.26 -2.13 117.38 109.40 2bbn n GLN 3 Ca 0.00 0.26 -0.41 0.00 -0.01 0.00 0.00 57.00 56.84 2bbn n GLN 3 Cb 0.00 -3.75 -0.08 0.00 0.00 0.00 0.00 30.24 26.41 2bbn n GLN 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2bbn n LEU 4 N -0.30 -0.92 -4.10 1.08 7.94 -1.26 -4.80 117.00 114.64 2bbn n LEU 4 Ca -0.02 -1.23 -0.35 0.00 -1.11 0.00 0.00 56.01 53.30 2bbn n LEU 4 Cb 0.22 -1.64 0.06 0.00 0.53 0.00 0.00 43.42 42.59 2bbn n LEU 4 CO 0.03 0.14 -1.07 0.35 -1.11 0.00 0.00 177.39 175.73 2bbn n THR 5 N -4.13 0.00 -0.97 1.96 -2.24 -0.91 -4.87 114.28 103.13 2bbn n THR 5 Ca 0.08 -0.42 0.08 0.00 -2.27 0.00 0.00 64.05 61.52 2bbn n THR 5 Cb 0.47 -0.14 0.32 0.00 -2.10 0.00 0.00 70.33 68.88 2bbn n THR 5 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2bbn n GLU 6 N 1.52 3.68 -0.02 -0.78 0.28 -1.26 -4.61 120.64 119.44 2bbn n GLU 6 Ca -0.00 -2.98 -0.09 0.00 -0.16 0.00 0.00 57.16 53.93 2bbn n GLU 6 Cb 0.56 -2.01 -0.04 0.00 1.43 0.00 0.00 31.44 31.38 2bbn n GLU 6 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2bbn h GLU 7 N 2.64 0.00 0.13 3.44 4.81 -2.00 0.14 114.58 123.74 2bbn h GLU 7 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2bbn h GLU 7 Cb 1.66 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.04 2bbn h GLU 7 CO 0.33 0.00 -0.06 0.37 -0.73 0.00 0.00 179.01 178.92 2bbn h GLN 8 N 0.00 -0.17 -0.92 1.92 5.75 -1.99 -2.74 115.11 116.97 2bbn h GLN 8 Ca 0.08 0.01 0.26 0.00 -0.15 0.00 0.00 58.65 58.85 2bbn h GLN 8 Cb 0.12 0.04 -0.14 0.00 1.07 0.00 0.00 27.48 28.56 2bbn h GLN 8 CO -0.16 0.30 0.34 0.82 -2.65 0.00 0.00 178.83 177.48 2bbn h ILE 9 N -0.75 0.32 -0.09 2.39 2.04 -1.82 0.31 117.51 119.93 2bbn h ILE 9 Ca -0.02 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2bbn h ILE 9 Cb 0.54 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2bbn h ILE 9 CO 0.03 0.05 0.04 0.00 0.00 0.00 0.00 178.15 178.27 2bbn h ALA 10 N 1.80 0.11 0.36 1.87 0.00 -0.69 0.31 119.26 123.02 2bbn h ALA 10 Ca 0.60 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 2bbn h ALA 10 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2bbn h ALA 10 CO -0.63 -0.33 -0.19 0.93 0.00 0.00 0.00 179.25 179.03 2bbn h GLU 11 N 0.01 -0.49 -0.92 0.00 5.08 -0.23 -0.18 114.58 117.86 2bbn h GLU 11 Ca 0.03 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2bbn h GLU 11 Cb 0.12 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2bbn h GLU 11 CO -0.00 -0.32 0.59 0.35 -1.00 0.00 0.00 179.01 178.62 2bbn h PHE 12 N -0.51 1.10 -0.90 4.33 3.57 -0.58 -1.08 116.94 122.87 2bbn h PHE 12 Ca -0.05 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2bbn h PHE 12 Cb 0.40 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2bbn h PHE 12 CO -0.06 0.61 0.58 -0.22 -2.23 0.00 0.00 178.31 176.99 2bbn h LYS 13 N 1.12 1.19 -0.45 1.11 3.64 0.02 -0.71 116.57 122.49 2bbn h LYS 13 Ca 0.38 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2bbn h LYS 13 Cb 0.06 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2bbn h LYS 13 CO -0.14 0.80 0.25 1.49 -2.27 0.00 0.00 179.45 179.58 2bbn h GLU 14 N 1.22 0.64 -0.03 1.90 4.81 0.23 -0.71 114.58 122.64 2bbn h GLU 14 Ca 0.33 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2bbn h GLU 14 Cb -0.12 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2bbn h GLU 14 CO -0.07 0.51 -0.25 0.00 -0.73 0.00 0.00 179.01 178.47 2bbn h ALA 15 N 1.09 1.53 0.00 2.92 0.00 -0.79 0.92 119.26 124.93 2bbn h ALA 15 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2bbn h ALA 15 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2bbn h ALA 15 CO -0.02 0.35 0.00 0.35 0.00 0.00 0.00 179.25 179.93 2bbn h PHE 16 N 0.05 0.00 0.00 0.00 3.57 -0.30 -1.28 116.94 118.98 2bbn h PHE 16 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2bbn h PHE 16 Cb 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2bbn h PHE 16 CO 0.00 0.00 -1.63 0.45 -2.23 0.00 0.00 178.31 174.91 2bbn n SER 17 N -2.61 1.80 -0.10 0.41 2.88 -0.36 -4.43 113.62 111.22 2bbn n SER 17 Ca 0.04 -0.01 -0.17 0.00 -1.33 0.00 0.00 58.87 57.40 2bbn n SER 17 Cb 0.39 1.63 -0.07 0.00 -0.75 0.00 0.00 64.21 65.40 2bbn n SER 17 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2bbn n LEU 18 N -1.98 1.87 -0.24 2.46 7.94 0.31 -4.44 117.00 122.92 2bbn n LEU 18 Ca -0.02 0.47 -0.08 0.00 -1.11 0.00 0.00 56.01 55.26 2bbn n LEU 18 Cb 0.36 -0.89 -0.04 0.00 0.53 0.00 0.00 43.42 43.38 2bbn n LEU 18 CO 0.29 0.04 0.56 0.15 -1.11 0.00 0.00 177.39 177.32 2bbn h PHE 19 N -1.00 -1.33 -1.90 1.96 3.04 -1.42 -3.35 116.94 112.95 2bbn h PHE 19 Ca -0.26 0.09 -0.56 0.00 3.98 0.00 0.00 57.97 61.21 2bbn h PHE 19 Cb 1.08 0.67 0.00 0.00 2.56 0.00 0.00 35.95 40.27 2bbn h PHE 19 CO -0.09 -0.42 1.53 -3.47 -2.02 0.00 0.00 178.31 173.84 2bbn n ASP 20 N -5.40 3.05 0.00 0.41 2.03 -1.26 -4.78 116.55 110.61 2bbn n ASP 20 Ca 0.02 0.04 0.12 0.00 0.52 0.00 0.00 54.79 55.50 2bbn n ASP 20 Cb 0.35 -1.56 0.54 0.00 -0.72 0.00 0.00 41.12 39.72 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 8.82 0.01 0.00 -0.67 4.01 -1.26 -4.31 118.16 124.77 2bbn n LYS 21 Ca 0.32 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 58.19 2bbn n LYS 21 Cb 0.47 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2bbn n ASP 22 N -1.53 0.00 0.00 4.39 5.75 -1.26 -5.06 116.55 118.84 2bbn n ASP 22 Ca 0.06 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 2bbn n ASP 22 Cb 0.30 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 2.30 0.09 0.32 6.12 0.00 -1.26 -5.00 105.19 107.77 2bbn n GLY 23 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2bbn n GLY 23 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2bbn h ASP 24 N 0.00 -0.94 0.00 1.61 1.82 -1.96 -3.45 116.42 113.50 2bbn h ASP 24 Ca 0.00 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 2bbn h ASP 24 Cb 0.00 0.56 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2bbn h ASP 24 CO 0.00 -0.28 0.00 0.61 -1.61 0.00 0.00 179.24 177.96 2bbn n GLY 25 N -1.51 2.92 3.76 -0.78 0.00 -1.26 -5.04 105.19 103.28 2bbn n GLY 25 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.94 4.74 -0.55 2.61 -4.23 -1.26 -4.75 115.64 109.26 2bbn s THR 26 Ca 0.00 1.53 -0.28 0.00 -1.18 0.00 0.00 61.69 61.76 2bbn s THR 26 Cb 0.00 -4.06 0.01 0.00 1.34 0.00 0.00 72.50 69.79 2bbn s THR 26 CO 0.00 0.40 1.41 -0.63 -0.54 0.00 0.00 174.62 175.26 2bbn s ILE 27 N -0.25 3.80 0.51 2.99 1.01 -1.14 -4.84 121.20 123.29 2bbn s ILE 27 Ca 0.36 0.70 0.01 0.00 0.00 0.00 0.00 60.65 61.72 2bbn s ILE 27 Cb -0.20 -4.42 -0.01 0.00 0.01 0.00 0.00 42.46 37.84 2bbn s ILE 27 CO 0.22 -1.13 0.01 -0.89 0.00 0.00 0.00 174.94 173.14 2bbn s THR 28 N 5.99 1.13 -0.28 2.92 2.01 -1.26 -3.38 115.64 122.77 2bbn s THR 28 Ca 0.53 -2.00 0.22 0.00 0.31 0.00 0.00 61.69 60.75 2bbn s THR 28 Cb -0.11 -2.15 0.23 0.00 0.01 0.00 0.00 72.50 70.48 2bbn s THR 28 CO 0.26 0.00 1.68 0.35 -0.69 0.00 0.00 174.62 176.22 2bbn n THR 29 N -1.26 0.97 -0.06 -0.82 -2.24 -1.26 -1.16 114.28 108.45 2bbn n THR 29 Ca -0.19 0.58 -0.01 0.00 -2.27 0.00 0.00 64.05 62.16 2bbn n THR 29 Cb 0.67 -1.56 -0.01 0.00 -2.10 0.00 0.00 70.33 67.33 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 0.00 0.00 -0.78 3.64 -1.95 -2.64 116.57 114.83 2bbn h LYS 30 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2bbn h LYS 30 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2bbn h LYS 30 CO 0.00 0.01 -0.21 1.05 -2.27 0.00 0.00 179.45 178.03 2bbn h GLU 31 N -1.00 0.00 0.16 1.90 9.09 -1.87 -2.70 114.58 120.16 2bbn h GLU 31 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2bbn h GLU 31 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 2bbn h GLU 31 CO -0.00 0.21 -0.08 1.25 0.05 0.00 0.00 179.01 180.45 2bbn h LEU 32 N 0.00 -0.18 -0.68 3.06 5.85 -1.28 -2.79 115.31 119.30 2bbn h LEU 32 Ca -0.00 -0.36 0.13 0.00 0.84 0.00 0.00 57.88 58.49 2bbn h LEU 32 Cb 0.52 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.50 2bbn h LEU 32 CO 0.03 0.33 0.21 1.23 -0.34 0.00 0.00 178.44 179.90 2bbn h GLY 33 N -0.78 0.95 0.20 3.75 0.00 -1.34 0.86 103.07 106.72 2bbn h GLY 33 Ca -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2bbn h GLY 33 CO 0.04 -0.11 -0.28 -0.91 0.00 0.00 0.00 176.54 175.28 2bbn h THR 34 N 0.35 0.00 0.81 4.70 1.35 -1.50 0.41 112.91 119.03 2bbn h THR 34 Ca 0.36 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.18 2bbn h THR 34 Cb 0.55 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 66.98 2bbn h THR 34 CO -0.41 0.00 -0.39 0.58 -0.25 0.00 0.00 175.52 175.05 2bbn h VAL 35 N -0.50 0.00 -0.86 6.82 2.07 -1.17 -2.69 116.25 119.92 2bbn h VAL 35 Ca -0.02 -0.18 0.19 0.00 0.82 0.00 0.00 66.70 67.50 2bbn h VAL 35 Cb 0.45 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.06 2bbn h VAL 35 CO -0.07 0.00 -0.14 -0.03 0.02 0.00 0.00 177.57 177.34 2bbn h MET 36 N -1.27 0.02 -0.67 1.57 -1.53 0.70 0.94 114.93 114.69 2bbn h MET 36 Ca -0.11 -0.00 0.13 0.00 -3.44 0.00 0.00 59.70 56.28 2bbn h MET 36 Cb 0.84 -0.00 -0.10 0.00 -0.55 0.00 0.00 31.60 31.79 2bbn h MET 36 CO 0.18 0.01 0.16 -0.09 0.14 0.00 0.00 176.91 177.31 2bbn h ARG 37 N 0.02 0.27 0.00 0.39 1.12 -0.07 2.63 114.38 118.73 2bbn h ARG 37 Ca 0.44 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.29 2bbn h ARG 37 Cb 0.74 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.63 2bbn h ARG 37 CO -0.86 0.18 -0.03 1.03 -3.11 0.00 0.00 179.97 177.18 2bbn h SER 38 N 0.28 0.00 -0.01 -3.80 0.87 0.12 -1.40 113.55 109.61 2bbn h SER 38 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2bbn h SER 38 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2bbn h SER 38 CO -0.45 0.03 -0.53 0.18 -0.53 0.00 0.00 176.83 175.54 2bbn n LEU 39 N -3.31 1.27 0.00 2.23 4.32 0.32 -4.98 117.00 116.83 2bbn n LEU 39 Ca -0.02 -0.65 0.00 0.00 -0.02 0.00 0.00 56.01 55.32 2bbn n LEU 39 Cb 0.17 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 2bbn n LEU 39 CO 0.25 0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.29 2bbn n GLY 40 N 1.27 -1.10 1.82 -0.72 0.00 0.80 -5.04 105.19 102.21 2bbn n GLY 40 Ca 0.05 0.57 -0.02 0.00 0.00 0.00 0.00 46.02 46.63 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 0.32 -3.66 1.61 1.13 -1.21 -4.78 117.38 110.79 2bbn n GLN 41 Ca 0.00 -0.71 -0.28 0.00 -1.94 0.00 0.00 57.00 54.07 2bbn n GLN 41 Cb 0.00 0.96 -0.11 0.00 0.11 0.00 0.00 30.24 31.20 2bbn n GLN 41 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2bbn s ASN 42 N -2.15 3.23 0.97 1.08 6.03 -1.26 -3.57 114.94 119.28 2bbn s ASN 42 Ca 0.11 -3.48 0.00 0.00 -1.03 0.00 0.00 52.86 48.46 2bbn s ASN 42 Cb -0.01 -1.07 0.00 0.00 -3.03 0.00 0.00 41.25 37.14 2bbn s ASN 42 CO 0.03 -0.13 0.00 -2.65 -2.03 0.00 0.00 177.10 172.32 2bbn n PRO 43 N 2.39 -1.85 -0.73 3.55 -0.02 -1.26 -4.93 135.00 132.15 2bbn n PRO 43 Ca 0.24 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.45 2bbn n PRO 43 Cb 0.41 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.00 2bbn n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2bbn n THR 44 N -2.91 0.00 -0.09 3.45 -2.24 -1.26 -4.92 114.28 106.32 2bbn n THR 44 Ca 0.00 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.44 2bbn n THR 44 Cb 0.00 -0.35 -0.12 0.00 -2.10 0.00 0.00 70.33 67.76 2bbn n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn n GLU 45 N -0.33 0.60 -0.26 -0.78 4.71 -1.26 -3.88 120.64 119.44 2bbn n GLU 45 Ca 0.01 0.51 0.03 0.00 -0.01 0.00 0.00 57.16 57.71 2bbn n GLU 45 Cb 0.53 -1.73 0.11 0.00 -1.01 0.00 0.00 31.44 29.34 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bbn h ALA 46 N -0.41 0.60 -0.21 0.62 0.00 -1.99 1.16 119.26 119.03 2bbn h ALA 46 Ca -0.37 0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2bbn h ALA 46 Cb 1.44 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2bbn h ALA 46 CO -0.17 -0.42 0.14 0.93 0.00 0.00 0.00 179.25 179.73 2bbn h GLU 47 N 0.03 0.11 0.11 0.00 4.39 -1.95 0.20 114.58 117.48 2bbn h GLU 47 Ca 0.38 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 2bbn h GLU 47 Cb 0.62 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2bbn h GLU 47 CO -0.74 0.08 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.07 2bbn h LEU 48 N 0.12 -0.12 -1.83 1.33 4.07 0.11 -2.64 115.31 116.34 2bbn h LEU 48 Ca 0.09 -0.35 0.17 0.00 0.08 0.00 0.00 57.88 57.87 2bbn h LEU 48 Cb 0.21 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 2bbn h LEU 48 CO -0.01 0.50 0.47 -0.61 -1.08 0.00 0.00 178.44 177.71 2bbn h GLN 49 N -0.96 0.16 0.11 1.13 5.75 -0.38 -1.08 115.11 119.84 2bbn h GLN 49 Ca -0.01 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2bbn h GLN 49 Cb 0.47 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2bbn h GLN 49 CO 0.02 0.11 -0.05 0.22 -2.65 0.00 0.00 178.83 176.47 2bbn h ASP 50 N 0.16 -0.13 -1.02 -0.69 3.58 -0.99 -2.29 116.42 115.04 2bbn h ASP 50 Ca 0.33 -0.30 0.26 0.00 0.42 0.00 0.00 57.03 57.73 2bbn h ASP 50 Cb 1.07 0.03 -0.12 0.00 1.72 0.00 0.00 39.33 42.03 2bbn h ASP 50 CO -0.05 0.24 0.62 0.24 -2.88 0.00 0.00 179.24 177.41 2bbn h MET 51 N -0.52 0.51 -0.12 0.28 2.86 -0.83 0.18 114.93 117.29 2bbn h MET 51 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2bbn h MET 51 Cb 0.42 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2bbn h MET 51 CO 0.03 0.33 0.01 0.82 1.06 0.00 0.00 176.91 179.16 2bbn h ILE 52 N 0.52 1.23 -0.70 -1.22 5.03 -1.26 -2.70 117.51 118.41 2bbn h ILE 52 Ca 0.64 -0.75 0.08 0.00 -0.12 0.00 0.00 64.86 64.71 2bbn h ILE 52 Cb 1.33 1.49 -0.04 0.00 -3.03 0.00 0.00 36.82 36.57 2bbn h ILE 52 CO -0.43 0.22 0.46 0.78 -0.68 0.00 0.00 178.15 178.50 2bbn h ASN 53 N -0.03 0.57 0.00 1.72 -0.26 -0.14 0.41 115.58 117.84 2bbn h ASN 53 Ca 0.04 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 2bbn h ASN 53 Cb 0.33 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 2bbn h ASN 53 CO 0.00 0.35 0.01 -0.62 -1.06 0.00 0.00 177.43 176.11 2bbn n GLU 54 N -4.49 0.00 -0.43 0.81 1.02 -0.14 -2.17 120.64 115.24 2bbn n GLU 54 Ca 0.11 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2bbn n GLU 54 Cb 0.29 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2bbn n GLU 54 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2bbn n VAL 55 N -1.43 0.00 -2.51 2.62 3.14 0.68 -4.97 118.33 115.86 2bbn n VAL 55 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 2bbn n VAL 55 Cb 0.01 0.34 0.01 0.00 -1.06 0.00 0.00 33.84 33.14 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2bbn n ASP 56 N 0.00 5.76 -0.04 6.55 2.03 0.11 -4.77 116.55 126.19 2bbn n ASP 56 Ca 0.00 -3.22 -0.11 0.00 0.52 0.00 0.00 54.79 51.98 2bbn n ASP 56 Cb 0.61 -1.40 -0.05 0.00 -0.72 0.00 0.00 41.12 39.55 2bbn n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bbn h ALA 57 N 5.52 0.19 -0.94 -1.67 0.00 -1.87 -2.90 119.26 117.59 2bbn h ALA 57 Ca 0.37 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2bbn h ALA 57 Cb 0.59 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2bbn h ALA 57 CO 1.52 -0.21 0.62 0.38 0.00 0.00 0.00 179.25 181.56 2bbn h ASP 58 N 0.07 1.05 0.00 0.00 3.04 -1.93 -3.46 116.42 115.19 2bbn h ASP 58 Ca 0.05 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2bbn h ASP 58 Cb 0.19 -0.25 0.00 0.00 -1.04 0.00 0.00 39.33 38.23 2bbn h ASP 58 CO -0.00 0.75 0.00 0.61 -2.04 0.00 0.00 179.24 178.55 2bbn n GLY 59 N -1.36 0.35 0.04 7.15 0.00 -1.10 -4.91 105.19 105.37 2bbn n GLY 59 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 0.14 0.00 1.61 0.23 -1.26 -4.77 115.26 111.20 2bbn n ASN 60 Ca 0.00 0.56 0.00 0.00 -0.53 0.00 0.00 54.58 54.61 2bbn n ASN 60 Cb 0.00 -0.58 0.00 0.00 -2.08 0.00 0.00 39.78 37.12 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 -1.17 1.54 3.15 4.83 0.00 -1.26 -4.98 105.19 107.30 2bbn n GLY 61 Ca 0.00 0.00 -0.09 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 -3.37 0.14 -0.17 2.61 -4.23 -1.26 -4.81 115.64 104.55 2bbn s THR 62 Ca 0.00 -1.18 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 2bbn s THR 62 Cb 0.00 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 2bbn s THR 62 CO 0.00 -0.65 0.46 -0.63 -0.54 0.00 0.00 174.62 173.26 2bbn s ILE 63 N -3.19 5.17 0.00 2.99 1.01 -1.22 -4.91 121.20 121.06 2bbn s ILE 63 Ca -0.00 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2bbn s ILE 63 Cb 0.02 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2bbn s ILE 63 CO -0.07 0.25 0.00 -0.67 0.00 0.00 0.00 174.94 174.45 2bbn n ASP 64 N 4.30 0.00 -0.11 3.58 2.03 -1.26 -2.88 116.55 122.20 2bbn n ASP 64 Ca -0.07 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.02 2bbn n ASP 64 Cb 0.51 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.82 2bbn n ASP 64 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2bbn n PHE 65 N 0.00 0.00 0.07 -0.67 3.01 -1.26 -4.45 117.46 114.17 2bbn n PHE 65 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 2bbn n PHE 65 Cb 0.00 -0.82 -0.01 0.00 -0.01 0.00 0.00 39.48 38.64 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 -0.66 -0.18 -0.94 -1.08 0.11 -1.99 -2.71 132.00 124.56 2bbn h PRO 66 Ca -0.56 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.71 2bbn h PRO 66 Cb 1.55 0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.55 2bbn h PRO 66 CO -0.30 -0.12 -0.38 0.93 -0.21 0.00 0.00 178.00 177.92 2bbn h GLU 67 N -0.20 -0.02 -0.15 1.05 5.08 -1.97 0.34 114.58 118.72 2bbn h GLU 67 Ca -0.02 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2bbn h GLU 67 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2bbn h GLU 67 CO 0.03 -0.01 -0.23 0.35 -1.00 0.00 0.00 179.01 178.14 2bbn h PHE 68 N -0.02 -0.71 -0.01 4.33 3.04 -1.77 0.56 116.94 122.36 2bbn h PHE 68 Ca 0.33 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.32 2bbn h PHE 68 Cb 0.59 0.33 -0.00 0.00 2.56 0.00 0.00 35.95 39.43 2bbn h PHE 68 CO -0.84 -0.21 0.12 -0.07 -2.02 0.00 0.00 178.31 175.29 2bbn h LEU 69 N -0.18 0.00 -0.01 0.59 3.38 -0.82 -1.61 115.31 116.65 2bbn h LEU 69 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bbn h LEU 69 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2bbn h LEU 69 CO -0.24 0.00 -0.06 0.74 0.09 0.00 0.00 178.44 178.97 2bbn h THR 70 N 0.00 1.53 -0.58 0.22 2.02 0.39 -1.79 112.91 114.70 2bbn h THR 70 Ca 0.00 -1.64 0.10 0.00 0.77 0.00 0.00 66.41 65.65 2bbn h THR 70 Cb 0.24 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 2bbn h THR 70 CO -0.00 0.43 0.39 -0.03 0.37 0.00 0.00 175.52 176.69 2bbn h MET 71 N -0.59 0.34 -0.01 6.66 1.85 0.38 1.48 114.93 125.04 2bbn h MET 71 Ca -0.00 -0.02 -0.19 0.00 -0.61 0.00 0.00 59.70 58.87 2bbn h MET 71 Cb 0.74 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.68 2bbn h MET 71 CO 0.01 0.23 -0.85 0.52 -0.40 0.00 0.00 176.91 176.42 2bbn h MET 72 N 0.35 0.22 -0.34 0.39 2.07 -1.46 -3.16 114.93 113.01 2bbn h MET 72 Ca 0.27 -0.23 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 2bbn h MET 72 Cb 0.59 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.39 2bbn h MET 72 CO -0.07 0.95 0.00 0.00 1.07 0.00 0.00 176.91 178.86 2bbn n ALA 73 N -2.47 2.43 -1.51 6.32 0.00 0.06 -4.75 120.51 120.58 2bbn n ALA 73 Ca -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.46 2bbn n ALA 73 Cb 0.78 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2bbn n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2bbn n ARG 74 N 1.41 0.00 -2.14 0.00 0.63 0.49 -5.02 116.66 112.03 2bbn n ARG 74 Ca 0.19 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.08 2bbn n ARG 74 Cb 0.59 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.47 2bbn n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2bbn n LYS 75 N 0.00 -2.80 -1.62 -0.14 4.81 -1.25 -4.82 118.16 112.34 2bbn n LYS 75 Ca 0.00 2.30 -0.52 0.00 -0.87 0.00 0.00 58.31 59.22 2bbn n LYS 75 Cb 0.00 -3.43 -0.06 0.00 0.02 0.00 0.00 35.03 31.56 2bbn n LYS 75 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2bbn n MET 76 N 1.03 1.31 0.30 1.64 2.81 -1.26 -4.74 117.12 118.21 2bbn n MET 76 Ca -0.25 0.47 0.14 0.00 -1.81 0.00 0.00 57.70 56.26 2bbn n MET 76 Cb 0.39 -2.15 0.76 0.00 -0.71 0.00 0.00 33.22 31.51 2bbn n MET 76 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2bbn h LYS 77 N 5.22 0.00 0.00 0.03 3.64 -2.03 -3.40 116.57 120.02 2bbn h LYS 77 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2bbn h LYS 77 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2bbn h LYS 77 CO 0.82 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.75 2bbn n ASP 78 N -2.73 0.18 -1.59 4.20 8.00 -1.26 -4.47 116.55 118.88 2bbn n ASP 78 Ca -0.02 -0.87 -0.03 0.00 0.71 0.00 0.00 54.79 54.58 2bbn n ASP 78 Cb 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.42 2bbn n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2bbn n THR 79 N -0.79 -0.06 -1.52 -3.53 -2.24 -1.26 -4.65 114.28 100.23 2bbn n THR 79 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2bbn n THR 79 Cb 0.00 -0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 67.73 2bbn n THR 79 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bbn n ASP 80 N -0.16 0.43 -4.08 3.42 5.75 -1.26 -4.82 116.55 115.82 2bbn n ASP 80 Ca -0.04 -1.21 -0.11 0.00 -0.01 0.00 0.00 54.79 53.42 2bbn n ASP 80 Cb 0.26 -1.22 -0.11 0.00 -1.03 0.00 0.00 41.12 39.03 2bbn n ASP 80 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2bbn s SER 81 N 6.36 0.76 -0.34 -1.12 1.04 -1.26 -5.03 113.70 114.10 2bbn s SER 81 Ca 1.03 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 56.75 2bbn s SER 81 Cb -0.38 0.09 0.45 0.00 0.10 0.00 0.00 66.02 66.27 2bbn s SER 81 CO 0.26 -0.35 1.71 1.21 0.98 0.00 0.00 173.24 177.06 2bbn n GLU 82 N 0.90 1.93 -0.04 4.02 2.13 -1.26 -4.48 120.64 123.84 2bbn n GLU 82 Ca -0.19 -2.15 -0.11 0.00 0.66 0.00 0.00 57.16 55.37 2bbn n GLU 82 Cb 0.57 -1.84 -0.05 0.00 0.27 0.00 0.00 31.44 30.39 2bbn n GLU 82 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2bbn h GLU 83 N 0.87 0.24 -0.68 5.31 4.81 -1.96 -0.25 114.58 122.93 2bbn h GLU 83 Ca 0.45 -0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.77 2bbn h GLU 83 Cb 2.08 -0.04 -0.13 0.00 0.63 0.00 0.00 28.75 31.29 2bbn h GLU 83 CO 0.84 0.34 -0.16 1.05 -0.73 0.00 0.00 179.01 180.35 2bbn h GLU 84 N 0.10 0.01 -0.00 1.92 4.11 -2.00 0.27 114.58 118.97 2bbn h GLU 84 Ca 0.05 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.48 2bbn h GLU 84 Cb 0.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2bbn h GLU 84 CO -0.00 0.00 -0.00 0.82 0.07 0.00 0.00 179.01 179.90 2bbn h ILE 85 N 0.01 1.49 -1.03 -1.06 2.04 -1.88 -2.82 117.51 114.25 2bbn h ILE 85 Ca 0.33 -1.43 0.27 0.00 1.00 0.00 0.00 64.86 65.03 2bbn h ILE 85 Cb 0.51 2.46 -0.11 0.00 -0.74 0.00 0.00 36.82 38.93 2bbn h ILE 85 CO -0.69 0.37 0.63 -0.09 0.00 0.00 0.00 178.15 178.37 2bbn h ARG 86 N -0.60 0.46 -0.01 2.37 2.43 -0.19 0.21 114.38 119.05 2bbn h ARG 86 Ca -0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2bbn h ARG 86 Cb 0.61 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2bbn h ARG 86 CO 0.00 0.30 0.00 1.49 -1.51 0.00 0.00 179.97 180.26 2bbn h GLU 87 N 0.47 0.01 -0.37 0.20 4.81 -0.45 -1.88 114.58 117.38 2bbn h GLU 87 Ca 0.64 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.92 2bbn h GLU 87 Cb 1.41 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 2bbn h GLU 87 CO -0.41 0.25 0.25 0.00 -0.73 0.00 0.00 179.01 178.37 2bbn h ALA 88 N 0.76 2.00 -0.45 2.92 0.00 -0.45 -1.13 119.26 122.91 2bbn h ALA 88 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2bbn h ALA 88 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2bbn h ALA 88 CO 0.00 -0.06 0.02 0.35 0.00 0.00 0.00 179.25 179.56 2bbn h PHE 89 N 0.28 0.84 -0.57 0.00 3.57 -0.40 -2.66 116.94 117.99 2bbn h PHE 89 Ca 0.16 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2bbn h PHE 89 Cb 0.29 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2bbn h PHE 89 CO -0.00 0.81 0.29 -0.09 -2.23 0.00 0.00 178.31 177.10 2bbn h ARG 90 N 0.63 0.79 0.53 1.11 2.43 -0.42 -2.51 114.38 116.94 2bbn h ARG 90 Ca 0.13 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2bbn h ARG 90 Cb 0.46 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2bbn h ARG 90 CO 0.02 0.60 -0.28 0.28 -1.51 0.00 0.00 179.97 179.08 2bbn h VAL 91 N 0.80 0.43 -0.90 0.20 2.07 -1.08 -2.09 116.25 115.68 2bbn h VAL 91 Ca 0.20 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.92 2bbn h VAL 91 Cb 0.05 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 2bbn h VAL 91 CO -0.03 0.00 0.59 -0.26 0.02 0.00 0.00 177.57 177.89 2bbn h PHE 92 N -0.74 0.57 -1.84 1.57 0.04 -1.26 -3.07 116.94 112.21 2bbn h PHE 92 Ca -0.07 0.02 -0.74 0.00 2.80 0.00 0.00 57.97 59.98 2bbn h PHE 92 Cb 0.58 -0.17 -0.16 0.00 2.20 0.00 0.00 35.95 38.40 2bbn h PHE 92 CO -0.06 0.16 1.62 -3.47 -0.60 0.00 0.00 178.31 175.96 2bbn n ASP 93 N -4.52 5.14 0.00 2.17 2.03 -0.79 -4.58 116.55 116.00 2bbn n ASP 93 Ca 0.19 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.50 2bbn n ASP 93 Cb 0.67 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 2bbn n ASP 93 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2bbn n LYS 94 N 5.47 0.00 -0.41 -0.67 4.81 -1.16 -4.57 118.16 121.63 2bbn n LYS 94 Ca 0.39 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2bbn n LYS 94 Cb 0.41 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.93 2bbn n LYS 94 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2bbn n ASP 95 N -1.35 0.00 -1.41 3.14 2.03 -1.26 -5.02 116.55 112.67 2bbn n ASP 95 Ca 0.00 -0.61 -0.11 0.00 0.52 0.00 0.00 54.79 54.59 2bbn n ASP 95 Cb 0.03 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.55 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bbn n GLY 96 N 5.00 5.71 0.01 0.27 0.00 -1.26 -4.58 105.19 110.33 2bbn n GLY 96 Ca 0.00 -1.95 -0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.93 4.49 0.00 1.61 4.13 -1.26 -5.03 115.26 118.27 2bbn n ASN 97 Ca 0.35 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.61 2bbn n ASN 97 Cb 0.87 0.80 0.00 0.00 -1.54 0.00 0.00 39.78 39.91 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 2.65 2.45 3.74 7.41 0.00 -1.26 -5.01 105.19 115.17 2bbn n GLY 98 Ca -0.02 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.26 2.28 0.13 1.61 0.08 -1.26 -4.66 117.98 115.90 2bbn s PHE 99 Ca 0.00 1.53 -0.15 0.00 0.12 0.00 0.00 56.93 58.44 2bbn s PHE 99 Cb 0.00 -3.49 -0.07 0.00 -0.57 0.00 0.00 43.02 38.90 2bbn s PHE 99 CO 0.00 -2.37 0.55 0.42 -0.10 0.00 0.00 175.22 173.72 2bbn s ILE 100 N -1.72 4.84 0.08 0.64 1.01 -0.62 -4.85 121.20 120.59 2bbn s ILE 100 Ca 0.77 0.88 0.05 0.00 0.00 0.00 0.00 60.65 62.34 2bbn s ILE 100 Cb -0.30 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 2bbn s ILE 100 CO 0.37 0.29 -0.13 -0.55 0.00 0.00 0.00 174.94 174.92 2bbn s SER 101 N -1.63 1.63 0.42 3.58 0.15 -1.26 -3.10 113.70 113.49 2bbn s SER 101 Ca 0.36 -0.69 0.19 0.00 0.70 0.00 0.00 55.95 56.52 2bbn s SER 101 Cb -0.16 -0.03 1.12 0.00 -1.71 0.00 0.00 66.02 65.24 2bbn s SER 101 CO 0.19 -0.14 1.82 0.00 1.20 0.00 0.00 173.24 176.32 2bbn h ALA 102 N 4.01 2.28 0.35 5.45 0.00 -1.98 -1.81 119.26 127.55 2bbn h ALA 102 Ca -0.40 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2bbn h ALA 102 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2bbn h ALA 102 CO 0.45 -0.61 -0.17 0.00 0.00 0.00 0.00 179.25 178.93 2bbn h ALA 103 N 1.60 -0.47 -0.33 0.00 0.00 -1.99 -2.54 119.26 115.53 2bbn h ALA 103 Ca 0.52 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.29 2bbn h ALA 103 Cb 1.36 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 2bbn h ALA 103 CO -0.21 -0.49 -0.32 0.93 0.00 0.00 0.00 179.25 179.17 2bbn h GLU 104 N -1.02 -0.14 -0.41 0.00 5.08 -1.73 -1.43 114.58 114.93 2bbn h GLU 104 Ca -0.05 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2bbn h GLU 104 Cb 0.49 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 2bbn h GLU 104 CO 0.08 -0.10 -0.31 1.25 -1.00 0.00 0.00 179.01 178.93 2bbn h LEU 105 N -0.15 -1.04 -1.11 1.33 6.46 -1.50 0.72 115.31 120.02 2bbn h LEU 105 Ca 0.06 0.19 0.42 0.00 -0.12 0.00 0.00 57.88 58.42 2bbn h LEU 105 Cb 0.30 0.50 -0.16 0.00 -0.73 0.00 0.00 40.66 40.56 2bbn h LEU 105 CO -0.39 -0.31 0.64 -0.09 -0.62 0.00 0.00 178.44 177.67 2bbn h ARG 106 N -0.23 0.05 0.00 1.25 2.43 -0.82 0.29 114.38 117.35 2bbn h ARG 106 Ca 0.18 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2bbn h ARG 106 Cb 0.53 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2bbn h ARG 106 CO -0.54 0.04 -0.17 0.45 -1.51 0.00 0.00 179.97 178.23 2bbn h HIS 107 N 0.05 0.00 -0.59 2.20 3.86 -0.47 -2.57 115.15 117.64 2bbn h HIS 107 Ca 0.84 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 60.21 2bbn h HIS 107 Cb 2.31 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.76 2bbn h HIS 107 CO -0.01 0.31 0.42 -0.24 0.86 0.00 0.00 177.93 179.27 2bbn h VAL 108 N -1.00 0.72 0.20 2.45 3.04 -0.30 0.24 116.25 121.60 2bbn h VAL 108 Ca -0.02 -0.01 -0.33 0.00 -1.01 0.00 0.00 66.70 65.33 2bbn h VAL 108 Cb 0.38 0.68 0.02 0.00 -2.01 0.00 0.00 31.29 30.37 2bbn h VAL 108 CO -0.01 0.01 -1.56 0.24 -1.01 0.00 0.00 177.57 175.24 2bbn h MET 109 N 0.03 0.43 0.00 4.17 2.07 -0.60 -2.81 114.93 118.23 2bbn h MET 109 Ca 0.28 -0.74 0.00 0.00 -2.07 0.00 0.00 59.70 57.17 2bbn h MET 109 Cb 1.08 0.27 0.00 0.00 -1.87 0.00 0.00 31.60 31.08 2bbn h MET 109 CO -0.01 1.35 0.00 0.25 1.07 0.00 0.00 176.91 179.57 2bbn n THR 110 N -3.71 0.93 0.35 2.22 -2.24 -0.62 -2.07 114.28 109.14 2bbn n THR 110 Ca -0.21 0.24 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 2bbn n THR 110 Cb 1.05 -1.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 2bbn n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2bbn n ASN 111 N -1.75 0.37 -0.45 3.42 3.02 -0.03 -4.21 115.26 115.64 2bbn n ASN 111 Ca 0.03 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2bbn n ASN 111 Cb 0.19 1.60 0.00 0.00 -0.61 0.00 0.00 39.78 40.97 2bbn n ASN 111 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bbn n LEU 112 N -2.00 0.64 0.00 3.41 4.77 -0.88 -4.69 117.00 118.25 2bbn n LEU 112 Ca -0.01 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2bbn n LEU 112 Cb 0.48 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2bbn n LEU 112 CO 0.45 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2bbn n GLY 113 N 0.15 0.48 3.96 -0.72 0.00 -1.26 -5.03 105.19 102.77 2bbn n GLY 113 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.58 2.51 -0.12 1.61 2.02 -1.24 -5.05 118.70 117.85 2bbn s GLU 114 Ca 0.00 -1.56 0.24 0.00 0.02 0.00 0.00 54.97 53.67 2bbn s GLU 114 Cb 0.00 -2.51 0.46 0.00 0.10 0.00 0.00 34.13 32.18 2bbn s GLU 114 CO 0.00 -0.46 1.15 1.63 0.02 0.00 0.00 175.26 177.59 2bbn n LYS 115 N -1.85 0.82 -0.66 1.61 5.02 -1.26 -4.60 118.16 117.23 2bbn n LYS 115 Ca 0.07 -2.69 -0.31 0.00 -2.02 0.00 0.00 58.31 53.36 2bbn n LYS 115 Cb 0.61 -0.74 0.18 0.00 -0.02 0.00 0.00 35.03 35.06 2bbn n LYS 115 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2bbn n LEU 116 N -0.01 1.75 0.00 -0.35 4.77 -1.26 -5.03 117.00 116.87 2bbn n LEU 116 Ca 0.07 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2bbn n LEU 116 Cb 0.99 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2bbn n LEU 116 CO 0.01 -2.63 0.00 0.35 -1.33 0.00 0.00 177.39 173.80 2bbn n THR 117 N -4.29 0.00 0.00 -5.08 -2.24 -1.26 -4.96 114.28 96.45 2bbn n THR 117 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2bbn n THR 117 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2bbn n THR 117 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bbn n ASP 118 N 0.00 0.21 -0.19 3.42 5.75 -1.26 -4.86 116.55 119.61 2bbn n ASP 118 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 2bbn n ASP 118 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2bbn h GLU 119 N 0.00 -0.06 -0.10 0.11 4.81 -1.99 -1.68 114.58 115.67 2bbn h GLU 119 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2bbn h GLU 119 Cb 0.15 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2bbn h GLU 119 CO 0.00 -0.04 -0.11 0.93 -0.73 0.00 0.00 179.01 179.06 2bbn h GLU 120 N -0.06 -0.07 -0.69 1.92 3.07 -2.00 -0.91 114.58 115.84 2bbn h GLU 120 Ca 0.27 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.28 2bbn h GLU 120 Cb 0.48 0.02 -0.13 0.00 -0.84 0.00 0.00 28.75 28.28 2bbn h GLU 120 CO -0.63 -0.05 -0.10 0.28 -1.40 0.00 0.00 179.01 177.11 2bbn h VAL 121 N -0.07 0.35 -0.24 3.13 2.07 -1.78 -0.90 116.25 118.81 2bbn h VAL 121 Ca 0.02 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2bbn h VAL 121 Cb 0.12 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 2bbn h VAL 121 CO -0.13 0.01 -0.40 -0.78 0.02 0.00 0.00 177.57 176.29 2bbn h ASP 122 N 0.04 -1.33 -0.89 0.57 3.58 -0.29 0.13 116.42 118.23 2bbn h ASP 122 Ca 0.35 0.17 0.12 0.00 0.42 0.00 0.00 57.03 58.09 2bbn h ASP 122 Cb 0.57 0.54 -0.08 0.00 1.72 0.00 0.00 39.33 42.07 2bbn h ASP 122 CO -0.67 -0.31 0.52 -0.08 -2.88 0.00 0.00 179.24 175.82 2bbn h GLU 123 N -0.33 0.79 0.41 0.28 4.81 -0.41 0.90 114.58 121.05 2bbn h GLU 123 Ca 0.04 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2bbn h GLU 123 Cb 0.45 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2bbn h GLU 123 CO -0.40 0.53 -0.31 0.52 -0.73 0.00 0.00 179.01 178.62 2bbn h MET 124 N 0.82 -0.69 0.19 1.92 2.86 0.22 -1.27 114.93 118.97 2bbn h MET 124 Ca 0.45 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 58.13 2bbn h MET 124 Cb 0.49 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2bbn h MET 124 CO -0.28 -0.46 -0.09 0.82 1.06 0.00 0.00 176.91 177.96 2bbn h ILE 125 N -0.71 0.82 -1.28 -1.22 2.04 -0.27 -0.44 117.51 116.45 2bbn h ILE 125 Ca -0.04 -0.03 0.37 0.00 1.00 0.00 0.00 64.86 66.17 2bbn h ILE 125 Cb 0.61 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 2bbn h ILE 125 CO 0.01 0.01 0.94 -0.09 0.00 0.00 0.00 178.15 179.01 2bbn h ARG 126 N -0.27 0.00 0.00 2.37 2.43 -0.68 0.58 114.38 118.81 2bbn h ARG 126 Ca -0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2bbn h ARG 126 Cb 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2bbn h ARG 126 CO 0.04 0.00 -0.23 0.93 -1.51 0.00 0.00 179.97 179.20 2bbn h GLU 127 N 0.00 0.00 -0.06 0.20 5.08 -0.14 -3.30 114.58 116.36 2bbn h GLU 127 Ca 0.61 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.99 2bbn h GLU 127 Cb 2.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.73 2bbn h GLU 127 CO -0.01 0.52 0.31 0.00 -1.00 0.00 0.00 179.01 178.83 2bbn h ALA 128 N -0.55 1.43 -2.95 3.43 0.00 0.28 -3.38 119.26 117.51 2bbn h ALA 128 Ca -0.05 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.27 2bbn h ALA 128 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 2bbn h ALA 128 CO -0.03 -0.34 -0.22 0.34 0.00 0.00 0.00 179.25 179.00 2bbn s ASP 129 N -4.67 6.49 -0.20 0.00 2.15 0.06 -4.95 116.67 115.55 2bbn s ASP 129 Ca -0.04 0.58 0.16 0.00 0.43 0.00 0.00 52.55 53.68 2bbn s ASP 129 Cb 0.10 -2.23 -0.24 0.00 -0.30 0.00 0.00 42.92 40.25 2bbn s ASP 129 CO 0.33 -0.01 0.08 -0.38 -0.17 0.00 0.00 175.17 175.02 2bbn n ILE 130 N 3.97 1.42 -2.53 4.11 5.41 -1.26 -4.89 119.36 125.59 2bbn n ILE 130 Ca -0.09 -0.82 -0.01 0.00 1.00 0.00 0.00 62.75 62.83 2bbn n ILE 130 Cb 0.51 -0.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 2bbn n ILE 130 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2bbn n ASP 131 N -2.83 0.05 -2.11 4.38 8.00 -1.26 -5.00 116.55 117.78 2bbn n ASP 131 Ca -0.33 -1.04 -0.21 0.00 0.71 0.00 0.00 54.79 53.92 2bbn n ASP 131 Cb 1.13 -0.02 0.19 0.00 -0.02 0.00 0.00 41.12 42.41 2bbn n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 132 N 4.79 4.46 0.22 0.44 0.00 -1.26 -4.44 105.19 109.40 2bbn n GLY 132 Ca 0.00 -1.09 0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 1.15 0.00 0.00 1.61 3.32 -1.98 -3.46 116.42 117.05 2bbn h ASP 133 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2bbn h ASP 133 Cb 2.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.27 2bbn h ASP 133 CO 1.01 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 179.37 2bbn n GLY 134 N 0.32 2.06 3.79 2.75 0.00 -1.26 -4.90 105.19 107.95 2bbn n GLY 134 Ca 0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 3.18 -0.30 1.61 1.11 -1.26 -4.90 119.66 119.09 2bbn s GLN 135 Ca 0.00 1.34 -0.16 0.00 0.01 0.00 0.00 55.36 56.55 2bbn s GLN 135 Cb 0.00 -2.00 -0.02 0.00 -1.01 0.00 0.00 33.01 29.97 2bbn s GLN 135 CO 0.00 -0.94 0.41 0.08 0.01 0.00 0.00 175.29 174.85 2bbn s VAL 136 N -2.28 5.13 0.00 1.09 1.01 -1.18 -4.83 120.40 119.35 2bbn s VAL 136 Ca 0.66 0.42 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2bbn s VAL 136 Cb -0.19 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2bbn s VAL 136 CO 0.36 0.02 0.00 0.59 0.00 0.00 0.00 175.10 176.06 2bbn n ASN 137 N 5.44 0.00 0.03 3.32 4.13 -1.26 -1.59 115.26 125.33 2bbn n ASN 137 Ca -0.08 -0.56 -0.22 0.00 1.68 0.00 0.00 54.58 55.40 2bbn n ASN 137 Cb 0.50 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.60 2bbn n ASN 137 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2bbn h TYR 138 N -0.44 0.55 0.18 3.10 3.20 -1.97 -3.29 116.97 118.30 2bbn h TYR 138 Ca 0.00 -0.40 0.01 0.00 3.14 0.00 0.00 58.73 61.47 2bbn h TYR 138 Cb 0.00 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 2bbn h TYR 138 CO 0.00 1.72 -0.51 0.93 -1.64 0.00 0.00 178.16 178.66 2bbn h GLU 139 N 0.01 -0.74 -0.00 1.82 4.39 -2.01 -0.13 114.58 117.92 2bbn h GLU 139 Ca -0.38 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2bbn h GLU 139 Cb 2.01 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 30.83 2bbn h GLU 139 CO 0.11 -0.49 0.01 0.93 -1.16 0.00 0.00 179.01 178.40 2bbn h GLU 140 N -0.77 0.00 0.18 2.33 5.08 -1.97 -1.88 114.58 117.55 2bbn h GLU 140 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2bbn h GLU 140 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2bbn h GLU 140 CO -0.24 0.00 -0.08 0.35 -1.00 0.00 0.00 179.01 178.03 2bbn h PHE 141 N 0.00 -0.22 -0.35 4.33 3.57 -1.10 -1.65 116.94 121.53 2bbn h PHE 141 Ca 0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2bbn h PHE 141 Cb 0.02 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2bbn h PHE 141 CO 0.00 0.04 -0.25 0.28 -2.23 0.00 0.00 178.31 176.15 2bbn h VAL 142 N -0.46 1.29 -0.10 1.41 2.07 -0.89 -0.35 116.25 119.21 2bbn h VAL 142 Ca -0.02 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.13 2bbn h VAL 142 Cb 0.35 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2bbn h VAL 142 CO 0.04 0.46 0.12 0.00 0.02 0.00 0.00 177.57 178.21 2bbn h THR 143 N 0.56 0.50 0.00 2.57 1.03 -1.34 0.38 112.91 116.62 2bbn h THR 143 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.34 2bbn h THR 143 Cb 0.81 0.91 -0.02 0.00 -1.07 0.00 0.00 68.15 68.78 2bbn h THR 143 CO 0.07 0.00 -1.60 0.80 -0.01 0.00 0.00 175.52 174.78 2bbn n MET 144 N -3.84 0.64 -0.65 0.00 0.00 -0.63 -4.06 117.12 108.58 2bbn n MET 144 Ca -0.00 0.08 0.08 0.00 0.00 0.00 0.00 57.70 57.85 2bbn n MET 144 Cb 0.22 -1.71 0.34 0.00 0.00 0.00 0.00 33.22 32.07 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 -2.69 3.92 -3.64 2.12 2.00 -0.09 -4.88 117.12 113.86 2bbn n MET 145 Ca -0.10 -2.94 -0.01 0.00 0.00 0.00 0.00 57.70 54.65 2bbn n MET 145 Cb 0.77 -1.99 -0.04 0.00 0.00 0.00 0.00 33.22 31.95 2bbn n MET 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2bbn s THR 146 N -2.47 -0.93 -0.23 2.03 2.01 0.11 -4.97 115.64 111.19 2bbn s THR 146 Ca 0.48 0.00 0.14 0.00 0.31 0.00 0.00 61.69 62.62 2bbn s THR 146 Cb 0.36 -1.00 0.75 0.00 0.01 0.00 0.00 72.50 72.61 2bbn s THR 146 CO 0.16 0.00 1.68 -1.20 -0.69 0.00 0.00 174.62 174.57 2bbn n SER 147 N 5.37 5.22 0.00 3.53 7.64 -1.26 -4.57 113.62 129.55 2bbn n SER 147 Ca -0.12 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.77 2bbn n SER 147 Cb 0.50 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32