#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 0.86 -0.19 0.00 2.03 -1.26 -4.84 116.55 113.15 2bbn n ASP 2 Ca 0.00 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.39 2bbn n ASP 2 Cb 0.00 -0.47 0.01 0.00 -0.72 0.00 0.00 41.12 39.94 2bbn n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bbn n GLN 3 N 0.16 0.23 0.00 -0.67 6.02 -1.26 -4.77 117.38 117.08 2bbn n GLN 3 Ca 0.19 -0.83 0.02 0.00 -0.01 0.00 0.00 57.00 56.37 2bbn n GLN 3 Cb 0.72 -0.57 0.01 0.00 1.02 0.00 0.00 30.24 31.42 2bbn n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2bbn n LEU 4 N -0.09 1.26 0.00 1.08 4.32 -1.26 -4.85 117.00 117.46 2bbn n LEU 4 Ca 0.01 -0.95 0.00 0.00 -0.02 0.00 0.00 56.01 55.05 2bbn n LEU 4 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2bbn n LEU 4 CO 0.00 0.27 0.08 0.35 -1.22 0.00 0.00 177.39 176.87 2bbn n THR 5 N 0.12 0.00 -3.94 -5.08 -2.24 -1.26 -4.78 114.28 97.09 2bbn n THR 5 Ca 0.02 0.66 -0.25 0.00 -2.27 0.00 0.00 64.05 62.21 2bbn n THR 5 Cb 0.11 -1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 67.02 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 -0.27 -3.42 -0.12 -0.78 1.02 -1.26 -4.88 120.64 110.92 2bbn n GLU 6 Ca 0.00 0.42 -0.22 0.00 -0.02 0.00 0.00 57.16 57.34 2bbn n GLU 6 Cb 0.00 -4.60 -0.08 0.00 -0.02 0.00 0.00 31.44 26.74 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 -4.40 0.56 -0.33 3.49 1.02 -1.26 -4.38 120.64 115.36 2bbn n GLU 7 Ca -0.29 0.28 0.20 0.00 -0.02 0.00 0.00 57.16 57.33 2bbn n GLU 7 Cb 0.68 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 31.05 2bbn n GLU 7 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2bbn h GLN 8 N -1.00 0.48 -0.94 3.49 4.20 -2.01 0.45 115.11 119.79 2bbn h GLN 8 Ca -0.44 -0.03 0.20 0.00 0.06 0.00 0.00 58.65 58.44 2bbn h GLN 8 Cb 1.36 -0.11 -0.11 0.00 0.30 0.00 0.00 27.48 28.92 2bbn h GLN 8 CO -0.27 0.32 0.51 0.97 -0.67 0.00 0.00 178.83 179.70 2bbn h ILE 9 N 0.49 0.62 -0.58 2.54 6.09 -1.97 0.23 117.51 124.93 2bbn h ILE 9 Ca 0.60 -0.21 -0.10 0.00 -1.37 0.00 0.00 64.86 63.78 2bbn h ILE 9 Cb 1.33 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.56 2bbn h ILE 9 CO -0.34 0.11 -0.04 0.00 -3.07 0.00 0.00 178.15 174.81 2bbn h ALA 10 N 1.66 0.79 0.35 0.18 0.00 -0.29 -1.91 119.26 120.04 2bbn h ALA 10 Ca 0.56 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2bbn h ALA 10 Cb 0.96 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2bbn h ALA 10 CO -0.43 0.66 -0.38 1.49 0.00 0.00 0.00 179.25 180.58 2bbn h GLU 11 N 0.94 -0.74 -0.64 0.00 4.57 -0.35 -1.89 114.58 116.47 2bbn h GLU 11 Ca 0.16 0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.43 2bbn h GLU 11 Cb 0.60 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 2bbn h GLU 11 CO 0.04 -0.49 0.42 0.74 -1.18 0.00 0.00 179.01 178.54 2bbn h PHE 12 N -0.77 0.70 -0.62 0.92 0.04 -1.32 -1.68 116.94 114.21 2bbn h PHE 12 Ca -0.02 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.89 2bbn h PHE 12 Cb 0.70 -0.23 -0.09 0.00 2.20 0.00 0.00 35.95 38.52 2bbn h PHE 12 CO -0.23 0.40 0.09 -0.22 -0.60 0.00 0.00 178.31 177.74 2bbn h LYS 13 N 0.72 0.20 -0.65 1.51 3.64 -0.54 0.39 116.57 121.84 2bbn h LYS 13 Ca 0.26 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2bbn h LYS 13 Cb 0.14 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2bbn h LYS 13 CO -0.08 0.13 0.39 1.49 -2.27 0.00 0.00 179.45 179.11 2bbn h GLU 14 N 0.20 0.88 -0.20 1.90 4.81 -0.94 -0.45 114.58 120.78 2bbn h GLU 14 Ca 0.33 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2bbn h GLU 14 Cb 0.51 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2bbn h GLU 14 CO -0.46 0.63 -0.02 0.00 -0.73 0.00 0.00 179.01 178.43 2bbn h ALA 15 N 1.20 1.59 0.03 2.92 0.00 -0.57 -2.15 119.26 122.28 2bbn h ALA 15 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2bbn h ALA 15 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2bbn h ALA 15 CO -0.04 0.30 -0.02 0.74 0.00 0.00 0.00 179.25 180.24 2bbn h PHE 16 N 0.29 -0.04 -0.11 0.00 -1.00 0.61 0.11 116.94 116.80 2bbn h PHE 16 Ca 0.07 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.88 2bbn h PHE 16 Cb 0.24 0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.81 2bbn h PHE 16 CO 0.00 0.50 0.12 1.03 -1.61 0.00 0.00 178.31 178.36 2bbn h SER 17 N -0.62 0.00 0.15 2.17 0.87 -0.94 0.55 113.55 115.72 2bbn h SER 17 Ca -0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 2bbn h SER 17 Cb 0.57 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2bbn h SER 17 CO 0.01 0.00 -1.82 0.25 -0.53 0.00 0.00 176.83 174.74 2bbn h LEU 18 N 0.00 0.48 0.03 2.23 6.46 -1.29 -3.41 115.31 119.81 2bbn h LEU 18 Ca 0.05 -0.93 -0.00 0.00 -0.12 0.00 0.00 57.88 56.88 2bbn h LEU 18 Cb 0.29 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 2bbn h LEU 18 CO -0.00 1.80 -0.01 0.15 -0.62 0.00 0.00 178.44 179.76 2bbn h PHE 19 N 0.02 -0.03 -1.85 1.25 3.04 -0.00 -3.42 116.94 115.93 2bbn h PHE 19 Ca -0.38 -0.00 -0.51 0.00 3.98 0.00 0.00 57.97 61.06 2bbn h PHE 19 Cb 2.01 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 40.53 2bbn h PHE 19 CO 0.09 0.04 1.53 0.34 -2.02 0.00 0.00 178.31 178.29 2bbn s ASP 20 N -5.55 4.92 0.00 0.41 2.15 0.19 -4.76 116.67 114.03 2bbn s ASP 20 Ca -0.02 1.17 0.26 0.00 0.43 0.00 0.00 52.55 54.39 2bbn s ASP 20 Cb -0.00 -2.51 1.23 0.00 -0.30 0.00 0.00 42.92 41.33 2bbn s ASP 20 CO 0.05 -2.49 1.82 0.29 -0.17 0.00 0.00 175.17 174.68 2bbn n LYS 21 N 8.93 1.37 0.00 4.34 4.01 -1.26 -4.38 118.16 131.17 2bbn n LYS 21 Ca 0.31 -0.54 0.00 0.00 -0.51 0.00 0.00 58.31 57.57 2bbn n LYS 21 Cb 0.51 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.61 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2bbn n ASP 22 N -0.30 0.00 0.00 4.39 8.00 -1.26 -5.04 116.55 122.34 2bbn n ASP 22 Ca 0.19 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2bbn n ASP 22 Cb 0.22 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2bbn n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 23 N 2.49 0.01 0.09 0.44 0.00 -1.26 -4.98 105.19 101.98 2bbn n GLY 23 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.25 -1.55 1.61 2.03 -1.96 -3.49 116.42 113.31 2bbn h ASP 24 Ca 0.00 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2bbn h ASP 24 Cb 0.00 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.42 2bbn h ASP 24 CO 0.00 1.25 0.00 0.61 -1.03 0.00 0.00 179.24 180.07 2bbn n GLY 25 N 1.52 0.12 3.39 7.15 0.00 -1.26 -5.01 105.19 111.10 2bbn n GLY 25 Ca -0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2bbn n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbn s THR 26 N -1.58 -0.12 -0.44 2.61 -4.23 -1.26 -4.45 115.64 106.17 2bbn s THR 26 Ca 0.00 0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.29 2bbn s THR 26 Cb 0.00 -0.75 0.02 0.00 1.34 0.00 0.00 72.50 73.11 2bbn s THR 26 CO 0.00 0.03 1.32 -0.63 -0.54 0.00 0.00 174.62 174.80 2bbn s ILE 27 N 1.65 4.00 0.11 2.99 -1.09 -1.15 -4.86 121.20 122.85 2bbn s ILE 27 Ca -0.09 1.01 0.01 0.00 -2.23 0.00 0.00 60.65 59.35 2bbn s ILE 27 Cb -0.08 -4.35 -0.00 0.00 -1.58 0.00 0.00 42.46 36.45 2bbn s ILE 27 CO -0.15 -0.86 0.02 0.35 -1.23 0.00 0.00 174.94 173.07 2bbn n THR 28 N 7.01 0.00 0.18 2.92 -2.24 -1.26 -3.38 114.28 117.50 2bbn n THR 28 Ca 0.15 -0.58 0.03 0.00 -2.27 0.00 0.00 64.05 61.38 2bbn n THR 28 Cb 0.48 0.18 0.33 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.13 1.14 -0.01 4.28 1.35 -1.90 0.23 112.91 119.12 2bbn h THR 29 Ca -0.08 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.25 2bbn h THR 29 Cb 0.30 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2bbn h THR 29 CO 0.14 0.41 -0.02 0.50 -0.25 0.00 0.00 175.52 176.30 2bbn h LYS 30 N 0.00 0.04 -0.17 4.72 3.64 -1.96 0.36 116.57 123.20 2bbn h LYS 30 Ca -0.00 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 2bbn h LYS 30 Cb 0.82 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2bbn h LYS 30 CO 0.05 0.53 -0.60 0.93 -2.27 0.00 0.00 179.45 178.09 2bbn h GLU 31 N -0.45 0.57 0.33 1.90 5.08 -1.88 -2.76 114.58 117.37 2bbn h GLU 31 Ca 0.00 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 2bbn h GLU 31 Cb 0.52 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2bbn h GLU 31 CO 0.00 1.00 -0.16 1.25 -1.00 0.00 0.00 179.01 180.11 2bbn h LEU 32 N 0.43 -0.38 -0.24 1.33 5.85 -0.97 -2.75 115.31 118.59 2bbn h LEU 32 Ca -0.00 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2bbn h LEU 32 Cb 1.16 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 2bbn h LEU 32 CO 0.11 0.05 -0.47 1.23 -0.34 0.00 0.00 178.44 179.02 2bbn h GLY 33 N -0.89 -1.16 -0.24 3.75 0.00 -0.33 0.62 103.07 104.83 2bbn h GLY 33 Ca -0.05 0.71 0.03 0.00 0.00 0.00 0.00 47.33 48.03 2bbn h GLY 33 CO 0.07 -0.23 -0.36 -0.91 0.00 0.00 0.00 176.54 175.11 2bbn h THR 34 N -0.42 0.00 -0.31 4.70 1.35 -1.58 0.18 112.91 116.83 2bbn h THR 34 Ca 0.05 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.99 2bbn h THR 34 Cb 0.55 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 2bbn h THR 34 CO -0.45 0.00 0.22 0.58 -0.25 0.00 0.00 175.52 175.63 2bbn h VAL 35 N -0.28 0.83 0.22 6.82 2.07 -1.15 -1.92 116.25 122.84 2bbn h VAL 35 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2bbn h VAL 35 Cb 0.40 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2bbn h VAL 35 CO -0.37 0.00 -0.11 0.24 0.02 0.00 0.00 177.57 177.35 2bbn h MET 36 N 0.00 -0.29 -0.42 1.57 2.86 0.31 -2.13 114.93 116.83 2bbn h MET 36 Ca 0.15 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.93 2bbn h MET 36 Cb 0.59 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 2bbn h MET 36 CO -0.00 -0.05 0.33 -0.09 1.06 0.00 0.00 176.91 178.16 2bbn h ARG 37 N -0.49 0.00 -0.58 1.72 1.12 -0.33 0.68 114.38 116.50 2bbn h ARG 37 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 2bbn h ARG 37 Cb 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 2bbn h ARG 37 CO 0.05 0.00 0.00 0.45 -3.11 0.00 0.00 179.97 177.36 2bbn n SER 38 N -4.23 1.17 0.07 -3.80 2.88 -0.81 -3.38 113.62 105.52 2bbn n SER 38 Ca 0.07 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 2bbn n SER 38 Cb 0.53 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2bbn n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2bbn n LEU 39 N -0.04 0.34 -2.70 2.46 4.77 0.23 -4.99 117.00 117.07 2bbn n LEU 39 Ca 0.04 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.19 2bbn n LEU 39 Cb 0.25 0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2bbn n LEU 39 CO 0.04 -0.63 0.40 0.61 -1.33 0.00 0.00 177.39 176.48 2bbn n GLY 40 N 2.44 1.57 7.00 -0.72 0.00 -0.53 -5.13 105.19 109.82 2bbn n GLY 40 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.74 0.00 -3.34 1.61 -0.06 -1.22 -4.86 117.38 108.77 2bbn n GLN 41 Ca -0.04 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 54.85 2bbn n GLN 41 Cb 0.85 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.95 2bbn n GLN 41 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2bbn s ASN 42 N -4.00 0.65 0.60 1.69 3.04 -1.26 -2.90 114.94 112.76 2bbn s ASN 42 Ca 0.00 -0.27 0.00 0.00 0.04 0.00 0.00 52.86 52.63 2bbn s ASN 42 Cb 0.00 0.96 0.00 0.00 -1.54 0.00 0.00 41.25 40.67 2bbn s ASN 42 CO 0.00 -0.34 0.00 -2.65 -3.04 0.00 0.00 177.10 171.07 2bbn n PRO 43 N 5.35 -0.75 -1.51 0.43 -0.02 -1.26 -4.79 135.00 132.45 2bbn n PRO 43 Ca -0.01 0.00 -0.52 0.00 -2.02 0.00 0.00 63.50 60.95 2bbn n PRO 43 Cb 0.49 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.92 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 -2.16 0.85 -0.09 3.45 -2.24 -1.26 -4.83 114.28 107.99 2bbn n THR 44 Ca 0.00 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 2bbn n THR 44 Cb 0.00 -0.35 0.09 0.00 -2.10 0.00 0.00 70.33 67.96 2bbn n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bbn h GLU 45 N 2.69 0.78 -0.79 -0.78 5.08 -2.01 -2.93 114.58 116.62 2bbn h GLU 45 Ca -0.42 -0.31 0.17 0.00 -1.00 0.00 0.00 59.36 57.79 2bbn h GLU 45 Cb 1.40 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.50 2bbn h GLU 45 CO 0.65 0.93 0.29 0.00 -1.00 0.00 0.00 179.01 179.88 2bbn h ALA 46 N 1.07 1.13 -0.96 3.43 0.00 -2.00 0.27 119.26 122.20 2bbn h ALA 46 Ca 0.09 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2bbn h ALA 46 Cb 0.73 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2bbn h ALA 46 CO 0.06 -0.28 0.63 0.93 0.00 0.00 0.00 179.25 180.59 2bbn h GLU 47 N 0.38 1.23 -0.01 0.00 5.08 -1.88 -0.46 114.58 118.92 2bbn h GLU 47 Ca 0.46 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2bbn h GLU 47 Cb 0.77 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2bbn h GLU 47 CO -0.47 0.81 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.11 2bbn h LEU 48 N 1.26 0.01 0.07 1.33 4.07 -0.51 -2.02 115.31 119.52 2bbn h LEU 48 Ca 0.36 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.32 2bbn h LEU 48 Cb -0.08 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.65 2bbn h LEU 48 CO -0.09 0.18 -0.03 -0.61 -1.08 0.00 0.00 178.44 176.81 2bbn h GLN 49 N 0.01 -0.09 -0.96 1.13 4.15 -0.27 -2.71 115.11 116.36 2bbn h GLN 49 Ca 0.00 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.65 2bbn h GLN 49 Cb 0.31 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.94 2bbn h GLN 49 CO 0.02 0.46 0.63 0.22 -1.93 0.00 0.00 178.83 178.23 2bbn h ASP 50 N -0.91 0.46 -0.10 -0.69 3.58 -1.11 0.83 116.42 118.47 2bbn h ASP 50 Ca -0.01 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2bbn h ASP 50 Cb 0.59 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 2bbn h ASP 50 CO 0.02 0.15 0.02 0.24 -2.88 0.00 0.00 179.24 176.79 2bbn h MET 51 N 0.44 0.17 -0.27 0.28 2.86 -1.39 -1.23 114.93 115.80 2bbn h MET 51 Ca 0.52 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 58.19 2bbn h MET 51 Cb 1.26 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 2bbn h MET 51 CO -0.23 0.38 0.22 0.82 1.06 0.00 0.00 176.91 179.15 2bbn h ILE 52 N -0.06 0.71 0.10 -1.22 5.03 -0.53 -2.15 117.51 119.39 2bbn h ILE 52 Ca 0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.77 2bbn h ILE 52 Cb 0.29 0.84 0.00 0.00 -3.03 0.00 0.00 36.82 34.92 2bbn h ILE 52 CO 0.00 0.00 -0.05 -1.13 -0.68 0.00 0.00 178.15 176.29 2bbn h ASN 53 N 0.00 -0.12 -0.64 1.72 -0.73 -0.85 0.48 115.58 115.44 2bbn h ASN 53 Ca 0.13 -0.15 0.19 0.00 1.87 0.00 0.00 56.30 58.33 2bbn h ASN 53 Cb 0.56 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 39.15 2bbn h ASN 53 CO -0.00 0.44 0.74 -0.33 -0.37 0.00 0.00 177.43 177.90 2bbn h GLU 54 N -1.02 0.00 0.01 6.67 5.08 -0.95 -1.28 114.58 123.09 2bbn h GLU 54 Ca -0.01 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.94 2bbn h GLU 54 Cb 0.26 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2bbn h GLU 54 CO 0.02 0.00 -2.39 0.28 -1.00 0.00 0.00 179.01 175.92 2bbn n VAL 55 N -3.51 1.53 -1.95 3.13 0.31 -0.84 -4.80 118.33 112.21 2bbn n VAL 55 Ca 0.13 -0.47 -0.33 0.00 -0.01 0.00 0.00 64.34 63.67 2bbn n VAL 55 Cb 0.96 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 32.18 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 -6.98 5.02 0.33 4.52 -1.08 0.17 -4.75 116.67 113.89 2bbn s ASP 56 Ca -0.35 0.10 0.25 0.00 -0.52 0.00 0.00 52.55 52.04 2bbn s ASP 56 Cb 0.11 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.73 2bbn s ASP 56 CO 0.57 -2.67 1.73 0.00 0.52 0.00 0.00 175.17 175.32 2bbn h ALA 57 N 14.29 1.00 -0.68 3.66 0.00 -1.87 -3.36 119.26 132.30 2bbn h ALA 57 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bbn h ALA 57 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bbn h ALA 57 CO 1.19 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.97 2bbn n ASP 58 N -2.64 0.00 0.00 0.00 2.03 -1.26 -4.99 116.55 109.68 2bbn n ASP 58 Ca 0.04 0.75 0.00 0.00 0.52 0.00 0.00 54.79 56.10 2bbn n ASP 58 Cb 0.44 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 2bbn n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bbn n GLY 59 N -0.05 1.39 0.25 0.27 0.00 -1.26 -4.95 105.19 100.84 2bbn n GLY 59 Ca 0.00 -0.07 0.17 0.00 0.00 0.00 0.00 46.02 46.12 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 1.06 0.00 0.00 1.61 4.21 -1.94 -3.45 115.58 117.07 2bbn h ASN 60 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2bbn h ASN 60 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2bbn h ASN 60 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2bbn n GLY 61 N -0.68 0.66 3.15 2.83 0.00 -1.26 -5.04 105.19 104.85 2bbn n GLY 61 Ca -0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 0.03 0.04 2.61 -4.23 -1.26 -4.70 115.64 106.13 2bbn s THR 62 Ca 0.00 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.18 2bbn s THR 62 Cb 0.00 -0.43 -0.05 0.00 1.34 0.00 0.00 72.50 73.37 2bbn s THR 62 CO 0.00 -0.15 0.27 0.27 -0.54 0.00 0.00 174.62 174.47 2bbn s ILE 63 N -0.57 5.30 0.00 2.99 -4.36 -1.22 -4.89 121.20 118.46 2bbn s ILE 63 Ca -0.07 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.34 2bbn s ILE 63 Cb -0.04 -3.59 0.00 0.00 1.25 0.00 0.00 42.46 40.08 2bbn s ILE 63 CO 0.01 0.26 0.00 0.47 0.24 0.00 0.00 174.94 175.93 2bbn n ASP 64 N 0.77 0.47 0.44 4.36 9.92 -1.26 -2.93 116.55 128.32 2bbn n ASP 64 Ca -0.08 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 53.98 2bbn n ASP 64 Cb 0.52 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.91 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 -1.08 0.40 1.24 -1.00 -1.96 -2.26 116.94 112.28 2bbn h PHE 65 Ca 0.00 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 2bbn h PHE 65 Cb 0.00 0.36 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 2bbn h PHE 65 CO 0.00 -0.66 -0.46 -1.35 -1.61 0.00 0.00 178.31 174.24 2bbn h PRO 66 N -1.12 -0.85 -0.81 1.51 0.10 -1.99 -0.26 132.00 128.58 2bbn h PRO 66 Ca -0.11 0.06 0.24 0.00 0.10 0.00 0.00 66.00 66.28 2bbn h PRO 66 Cb 0.87 0.19 -0.03 0.00 0.10 0.00 0.00 31.00 32.13 2bbn h PRO 66 CO 0.17 -0.57 0.81 0.93 0.10 0.00 0.00 178.00 179.45 2bbn h GLU 67 N -0.88 0.00 0.28 1.05 5.08 -1.94 0.69 114.58 118.86 2bbn h GLU 67 Ca -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2bbn h GLU 67 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2bbn h GLU 67 CO -0.10 0.00 -0.13 0.35 -1.00 0.00 0.00 179.01 178.13 2bbn h PHE 68 N 0.00 -0.35 -0.47 4.33 3.57 -0.42 1.00 116.94 124.59 2bbn h PHE 68 Ca 0.39 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.99 2bbn h PHE 68 Cb 2.01 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.84 2bbn h PHE 68 CO 0.00 0.01 0.33 -0.07 -2.23 0.00 0.00 178.31 176.35 2bbn h LEU 69 N -0.86 0.12 0.06 0.59 4.07 -0.56 -0.85 115.31 117.87 2bbn h LEU 69 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 2bbn h LEU 69 Cb 0.51 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2bbn h LEU 69 CO 0.06 0.07 -0.03 0.74 -1.08 0.00 0.00 178.44 178.21 2bbn h THR 70 N 0.13 0.79 0.00 0.22 2.02 -1.30 -0.80 112.91 113.97 2bbn h THR 70 Ca 0.22 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.95 2bbn h THR 70 Cb 0.70 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2bbn h THR 70 CO -0.03 0.25 0.24 -0.03 0.37 0.00 0.00 175.52 176.32 2bbn h MET 71 N -0.97 0.00 0.00 6.66 -1.53 -0.43 0.34 114.93 118.99 2bbn h MET 71 Ca -0.01 0.00 -0.12 0.00 -3.44 0.00 0.00 59.70 56.13 2bbn h MET 71 Cb 0.47 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.50 2bbn h MET 71 CO 0.01 0.00 -1.03 -0.12 0.14 0.00 0.00 176.91 175.92 2bbn n MET 72 N -2.81 0.51 0.00 0.39 0.00 -0.36 -4.13 117.12 110.72 2bbn n MET 72 Ca -0.02 0.48 0.00 0.00 0.00 0.00 0.00 57.70 58.16 2bbn n MET 72 Cb 0.29 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 31.85 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 -3.73 2.33 -1.51 -5.12 0.00 -0.31 -4.83 120.51 107.35 2bbn n ALA 73 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 2bbn n ALA 73 Cb 0.50 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.38 0.23 0.00 0.00 0.63 0.12 -4.58 116.66 112.67 2bbn n ARG 74 Ca 0.00 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2bbn n ARG 74 Cb 0.04 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.04 2bbn n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2bbn n LYS 75 N 8.39 0.00 -2.97 -0.14 5.02 -1.26 -4.90 118.16 122.30 2bbn n LYS 75 Ca 0.60 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.81 2bbn n LYS 75 Cb 0.15 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.17 2bbn n LYS 75 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2bbn n MET 76 N 14.00 -2.26 -0.06 1.97 2.81 -1.26 -4.88 117.12 127.43 2bbn n MET 76 Ca 0.00 1.97 0.12 0.00 -1.81 0.00 0.00 57.70 57.99 2bbn n MET 76 Cb 0.00 -3.93 0.28 0.00 -0.71 0.00 0.00 33.22 28.85 2bbn n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2bbn n LYS 77 N 0.50 2.11 -3.59 0.03 4.81 -1.26 -4.94 118.16 115.82 2bbn n LYS 77 Ca 0.01 -1.65 -0.11 0.00 -0.87 0.00 0.00 58.31 55.70 2bbn n LYS 77 Cb 0.32 -1.47 -0.03 0.00 0.02 0.00 0.00 35.03 33.87 2bbn n LYS 77 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2bbn s ASP 78 N -1.79 -0.38 -0.83 3.14 -4.77 -1.26 -5.06 116.67 105.71 2bbn s ASP 78 Ca 0.34 -0.26 -0.25 0.00 -3.30 0.00 0.00 52.55 49.08 2bbn s ASP 78 Cb 0.20 0.58 -0.16 0.00 -1.09 0.00 0.00 42.92 42.45 2bbn s ASP 78 CO 0.31 -1.00 2.36 0.35 0.70 0.00 0.00 175.17 177.89 2bbn n THR 79 N -0.34 0.00 0.00 2.11 -2.24 -1.26 -4.63 114.28 107.91 2bbn n THR 79 Ca -0.14 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2bbn n THR 79 Cb 0.63 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2bbn n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2bbn n ASP 80 N 18.42 0.00 -4.31 3.42 2.03 -1.26 -4.89 116.55 129.96 2bbn n ASP 80 Ca 0.47 0.00 -0.46 0.00 0.52 0.00 0.00 54.79 55.32 2bbn n ASP 80 Cb 0.42 -0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.63 2bbn n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2bbn s SER 81 N -2.10 6.56 -0.21 1.67 0.15 -1.26 -4.85 113.70 113.66 2bbn s SER 81 Ca 0.00 -2.50 0.15 0.00 0.70 0.00 0.00 55.95 54.30 2bbn s SER 81 Cb 0.00 -2.19 0.67 0.00 -1.71 0.00 0.00 66.02 62.79 2bbn s SER 81 CO 0.00 -0.63 1.58 -1.84 1.20 0.00 0.00 173.24 173.56 2bbn n GLU 82 N 4.23 3.83 0.05 5.44 -0.00 -1.26 -4.56 120.64 128.38 2bbn n GLU 82 Ca 0.07 -3.01 0.14 0.00 -0.00 0.00 0.00 57.16 54.36 2bbn n GLU 82 Cb 0.45 -2.05 0.61 0.00 -0.00 0.00 0.00 31.44 30.45 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2bbn h GLU 83 N 2.81 0.14 0.30 3.44 3.07 -2.01 -2.31 114.58 120.02 2bbn h GLU 83 Ca 0.01 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2bbn h GLU 83 Cb 1.72 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.60 2bbn h GLU 83 CO 0.36 0.09 -0.15 1.05 -1.40 0.00 0.00 179.01 178.97 2bbn h GLU 84 N 0.14 -0.39 -0.90 2.33 9.09 -2.01 -2.85 114.58 120.00 2bbn h GLU 84 Ca 0.18 0.03 0.25 0.00 0.05 0.00 0.00 59.36 59.87 2bbn h GLU 84 Cb 0.54 0.09 -0.14 0.00 -1.65 0.00 0.00 28.75 27.59 2bbn h GLU 84 CO -0.02 -0.09 0.27 0.82 0.05 0.00 0.00 179.01 180.04 2bbn h ILE 85 N -0.98 0.30 0.61 -1.06 2.04 -1.81 0.04 117.51 116.65 2bbn h ILE 85 Ca -0.04 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2bbn h ILE 85 Cb 0.48 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2bbn h ILE 85 CO 0.07 0.04 -0.50 -0.09 0.00 0.00 0.00 178.15 177.66 2bbn h ARG 86 N 0.21 -1.05 -0.95 2.37 2.43 -1.43 -1.84 114.38 114.13 2bbn h ARG 86 Ca 0.58 0.07 0.25 0.00 -0.81 0.00 0.00 59.98 60.07 2bbn h ARG 86 Cb 1.20 0.24 -0.13 0.00 -0.42 0.00 0.00 29.97 30.85 2bbn h ARG 86 CO -0.66 -0.70 0.47 1.49 -1.51 0.00 0.00 179.97 179.06 2bbn h GLU 87 N -1.09 0.39 -0.89 0.20 4.22 -0.79 0.67 114.58 117.30 2bbn h GLU 87 Ca -0.08 -0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.44 2bbn h GLU 87 Cb 0.91 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 2bbn h GLU 87 CO -0.00 0.26 0.54 0.00 -2.18 0.00 0.00 179.01 177.62 2bbn h ALA 88 N 1.76 1.29 -0.32 2.92 0.00 -0.45 -1.26 119.26 123.20 2bbn h ALA 88 Ca 0.62 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.57 2bbn h ALA 88 Cb 1.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2bbn h ALA 88 CO -0.55 0.18 0.18 0.35 0.00 0.00 0.00 179.25 179.40 2bbn h PHE 89 N 0.89 0.33 -0.82 0.00 3.04 0.96 -2.17 116.94 119.17 2bbn h PHE 89 Ca 0.43 0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.51 2bbn h PHE 89 Cb 0.37 -0.10 -0.08 0.00 2.56 0.00 0.00 35.95 38.70 2bbn h PHE 89 CO -0.04 0.19 0.44 -0.09 -2.02 0.00 0.00 178.31 176.79 2bbn h ARG 90 N 0.36 0.67 0.58 1.11 2.43 -0.86 -2.18 114.38 116.50 2bbn h ARG 90 Ca 0.13 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2bbn h ARG 90 Cb 0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2bbn h ARG 90 CO -0.07 0.45 -0.45 0.28 -1.51 0.00 0.00 179.97 178.66 2bbn h VAL 91 N 0.69 0.00 -0.73 0.20 2.07 -0.87 -2.73 116.25 114.87 2bbn h VAL 91 Ca 0.42 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.08 2bbn h VAL 91 Cb 0.49 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.12 2bbn h VAL 91 CO -0.30 0.00 -0.19 -0.26 0.02 0.00 0.00 177.57 176.84 2bbn h PHE 92 N -0.99 -0.42 -0.94 1.57 -1.00 -1.15 -3.20 116.94 110.80 2bbn h PHE 92 Ca -0.08 0.07 -0.51 0.00 2.81 0.00 0.00 57.97 60.26 2bbn h PHE 92 Cb 0.83 0.30 -0.08 0.00 3.61 0.00 0.00 35.95 40.61 2bbn h PHE 92 CO -0.16 -0.32 1.34 0.34 -1.61 0.00 0.00 178.31 177.89 2bbn s ASP 93 N -5.24 6.07 0.14 2.17 2.15 -0.85 -4.80 116.67 116.31 2bbn s ASP 93 Ca -0.14 -1.35 -0.32 0.00 0.43 0.00 0.00 52.55 51.16 2bbn s ASP 93 Cb 0.21 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 40.17 2bbn s ASP 93 CO 0.75 -1.91 1.55 0.50 -0.17 0.00 0.00 175.17 175.89 2bbn h LYS 94 N 9.98 -0.34 -7.48 4.34 3.64 -1.73 -3.41 116.57 121.58 2bbn h LYS 94 Ca 0.20 0.02 -0.45 0.00 -1.27 0.00 0.00 60.65 59.15 2bbn h LYS 94 Cb 0.99 0.08 0.15 0.00 -0.41 0.00 0.00 32.23 33.03 2bbn h LYS 94 CO 1.36 -0.22 0.26 0.16 -2.27 0.00 0.00 179.45 178.74 2bbn s ASP 95 N -5.11 2.89 -1.16 4.20 1.47 -1.26 -4.94 116.67 112.76 2bbn s ASP 95 Ca -0.14 0.90 -0.03 0.00 1.18 0.00 0.00 52.55 54.46 2bbn s ASP 95 Cb 0.09 -1.41 0.23 0.00 -0.34 0.00 0.00 42.92 41.49 2bbn s ASP 95 CO 0.62 -2.93 2.07 0.61 0.68 0.00 0.00 175.17 176.21 2bbn n GLY 96 N -1.91 5.72 0.00 2.12 0.00 -1.26 -4.73 105.19 105.14 2bbn n GLY 96 Ca 0.08 -2.35 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 0.76 0.00 0.00 1.61 4.13 -1.26 -5.07 115.26 115.42 2bbn n ASN 97 Ca 0.53 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.79 2bbn n ASN 97 Cb 0.26 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 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 2.79 0.00 3.56 7.41 0.00 -1.26 -5.16 105.19 112.53 2bbn n GLY 98 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2bbn n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bbn s PHE 99 N 0.00 -0.20 0.05 1.61 -0.71 -1.26 -4.35 117.98 113.12 2bbn s PHE 99 Ca 0.00 0.13 -0.11 0.00 -1.04 0.00 0.00 56.93 55.91 2bbn s PHE 99 Cb 0.00 0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 42.28 2bbn s PHE 99 CO 0.00 -0.32 0.38 0.42 -1.34 0.00 0.00 175.22 174.36 2bbn s ILE 100 N -2.64 5.11 0.10 -4.49 1.01 -0.43 -4.88 121.20 114.98 2bbn s ILE 100 Ca 0.08 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.24 2bbn s ILE 100 Cb -0.01 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2bbn s ILE 100 CO -0.06 0.37 0.01 -1.20 0.00 0.00 0.00 174.94 174.06 2bbn n SER 101 N 1.16 1.83 0.00 3.58 7.64 -1.26 -3.40 113.62 123.17 2bbn n SER 101 Ca -0.10 -1.48 0.00 0.00 1.01 0.00 0.00 58.87 58.30 2bbn n SER 101 Cb 0.52 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2bbn n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bbn n ALA 102 N -2.62 -0.05 -0.34 -0.43 0.00 -1.26 -3.49 120.51 112.31 2bbn n ALA 102 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.53 2bbn n ALA 102 Cb 0.14 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.90 2bbn n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bbn h ALA 103 N -2.00 1.62 -0.22 0.00 0.00 -1.99 -2.55 119.26 114.11 2bbn h ALA 103 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2bbn h ALA 103 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2bbn h ALA 103 CO 0.00 -0.11 -0.21 1.49 0.00 0.00 0.00 179.25 180.42 2bbn h GLU 104 N 0.70 -0.10 -0.06 0.00 4.81 -1.99 -1.92 114.58 116.01 2bbn h GLU 104 Ca 0.57 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.84 2bbn h GLU 104 Cb 0.93 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 2bbn h GLU 104 CO -0.40 -0.07 -0.14 1.25 -0.73 0.00 0.00 179.01 178.92 2bbn h LEU 105 N -0.10 -0.42 -0.82 1.64 6.46 -1.50 -2.57 115.31 117.99 2bbn h LEU 105 Ca 0.04 0.07 0.15 0.00 -0.12 0.00 0.00 57.88 58.02 2bbn h LEU 105 Cb 0.20 0.19 -0.15 0.00 -0.73 0.00 0.00 40.66 40.18 2bbn h LEU 105 CO -0.26 -0.19 -0.24 -1.14 -0.62 0.00 0.00 178.44 175.99 2bbn n ARG 106 N -5.28 -0.11 -0.21 1.25 0.00 -0.79 0.20 116.66 111.72 2bbn n ARG 106 Ca -0.04 1.28 -0.07 0.00 -0.00 0.00 0.00 57.85 59.01 2bbn n ARG 106 Cb 0.20 -1.90 0.03 0.00 0.00 0.00 0.00 32.46 30.79 2bbn n ARG 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2bbn h HIS 107 N 0.00 0.89 0.33 -0.14 3.86 -0.98 0.27 115.15 119.38 2bbn h HIS 107 Ca 0.36 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.50 2bbn h HIS 107 Cb 0.57 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2bbn h HIS 107 CO -0.66 0.69 -0.16 0.28 0.86 0.00 0.00 177.93 178.94 2bbn h VAL 108 N 0.83 0.00 -0.54 2.45 2.07 0.25 -2.82 116.25 118.49 2bbn h VAL 108 Ca 0.20 -0.13 0.15 0.00 0.82 0.00 0.00 66.70 67.75 2bbn h VAL 108 Cb 0.16 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2bbn h VAL 108 CO -0.02 0.00 0.39 0.24 0.02 0.00 0.00 177.57 178.20 2bbn h MET 109 N -0.58 0.04 0.43 1.57 2.07 -0.16 -2.60 114.93 115.70 2bbn h MET 109 Ca -0.05 -0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.57 2bbn h MET 109 Cb 0.34 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 2bbn h MET 109 CO 0.08 0.02 -0.33 1.15 1.07 0.00 0.00 176.91 178.90 2bbn h THR 110 N 0.04 0.00 0.00 2.22 2.02 -0.37 -0.65 112.91 116.17 2bbn h THR 110 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 2bbn h THR 110 Cb 0.98 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2bbn h THR 110 CO -0.01 0.00 0.09 0.59 0.37 0.00 0.00 175.52 176.55 2bbn n ASN 111 N -4.41 0.36 0.08 4.18 3.02 -1.00 -0.62 115.26 116.88 2bbn n ASN 111 Ca -0.09 0.63 -0.12 0.00 -0.03 0.00 0.00 54.58 54.97 2bbn n ASN 111 Cb 0.32 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.77 2bbn n ASN 111 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2bbn h LEU 112 N 0.00 0.34 0.00 3.41 5.85 -0.90 -3.47 115.31 120.54 2bbn h LEU 112 Ca 0.00 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2bbn h LEU 112 Cb 0.17 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2bbn h LEU 112 CO 0.00 1.16 0.00 0.61 -0.34 0.00 0.00 178.44 179.87 2bbn n GLY 113 N 1.13 2.43 0.00 3.75 0.00 0.21 -5.09 105.19 107.62 2bbn n GLY 113 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2bbn n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bbn n GLU 114 N 0.00 0.00 -1.08 1.61 2.13 -1.23 -4.96 120.64 117.11 2bbn n GLU 114 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2bbn n GLU 114 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2bbn n GLU 114 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2bbn n LYS 115 N 0.00 2.67 -4.07 5.31 5.02 -1.26 -4.82 118.16 121.01 2bbn n LYS 115 Ca 0.00 -1.87 -0.12 0.00 -2.02 0.00 0.00 58.31 54.31 2bbn n LYS 115 Cb 0.00 -2.70 -0.11 0.00 -0.02 0.00 0.00 35.03 32.20 2bbn n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2bbn s LEU 116 N 0.43 2.31 -0.06 -0.35 1.02 -1.26 -5.04 118.68 115.73 2bbn s LEU 116 Ca 0.53 -0.64 0.23 0.00 0.02 0.00 0.00 54.13 54.27 2bbn s LEU 116 Cb 0.14 -0.08 0.41 0.00 0.02 0.00 0.00 46.19 46.67 2bbn s LEU 116 CO -0.03 -0.29 1.15 0.35 0.02 0.00 0.00 176.35 177.55 2bbn n THR 117 N 1.16 0.25 0.00 5.49 -2.24 -1.26 -4.95 114.28 112.73 2bbn n THR 117 Ca -0.21 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 2bbn n THR 117 Cb 0.56 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.20 0.00 0.00 3.42 2.03 -1.26 -4.76 116.55 116.18 2bbn n ASP 118 Ca 0.03 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.25 2bbn n ASP 118 Cb 1.04 -0.77 -0.07 0.00 -0.72 0.00 0.00 41.12 40.60 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2bbn h GLU 119 N 0.94 -0.11 -0.25 -0.67 4.57 -1.99 -2.54 114.58 114.53 2bbn h GLU 119 Ca 0.00 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2bbn h GLU 119 Cb 0.00 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 2bbn h GLU 119 CO 0.00 0.35 -0.48 0.93 -1.18 0.00 0.00 179.01 178.63 2bbn h GLU 120 N -0.94 -0.45 0.32 1.92 5.08 -1.96 -1.72 114.58 116.83 2bbn h GLU 120 Ca -0.01 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2bbn h GLU 120 Cb 0.52 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2bbn h GLU 120 CO 0.02 -0.30 -0.27 0.28 -1.00 0.00 0.00 179.01 177.74 2bbn h VAL 121 N -0.47 0.00 -0.77 3.13 2.07 -1.97 -1.76 116.25 116.49 2bbn h VAL 121 Ca 0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 2bbn h VAL 121 Cb 0.63 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.28 2bbn h VAL 121 CO -0.49 0.00 -0.33 -0.67 0.02 0.00 0.00 177.57 176.11 2bbn n ASP 122 N -4.01 -0.55 0.07 0.57 2.03 -0.96 0.23 116.55 113.94 2bbn n ASP 122 Ca -0.07 1.34 0.03 0.00 0.52 0.00 0.00 54.79 56.61 2bbn n ASP 122 Cb 0.26 -0.28 0.41 0.00 -0.72 0.00 0.00 41.12 40.78 2bbn n ASP 122 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2bbn h GLU 123 N 0.00 0.36 -0.10 -0.67 4.57 -1.18 -2.72 114.58 114.84 2bbn h GLU 123 Ca 0.24 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.23 2bbn h GLU 123 Cb 0.43 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2bbn h GLU 123 CO -0.75 0.36 -0.47 0.52 -1.18 0.00 0.00 179.01 177.49 2bbn h MET 124 N 0.36 0.49 0.03 1.92 2.86 0.38 -2.85 114.93 118.11 2bbn h MET 124 Ca 0.08 -0.40 0.03 0.00 -2.06 0.00 0.00 59.70 57.36 2bbn h MET 124 Cb 0.19 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 2bbn h MET 124 CO 0.00 1.03 -0.40 0.82 1.06 0.00 0.00 176.91 179.42 2bbn h ILE 125 N 0.07 0.18 0.16 -1.22 1.08 -0.17 0.23 117.51 117.84 2bbn h ILE 125 Ca -0.03 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 2bbn h ILE 125 Cb 1.11 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 2bbn h ILE 125 CO 0.10 0.00 -0.50 -0.09 -0.69 0.00 0.00 178.15 176.96 2bbn h ARG 126 N -0.57 -0.73 -0.65 2.37 2.43 -1.58 0.18 114.38 115.83 2bbn h ARG 126 Ca 0.04 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.45 2bbn h ARG 126 Cb 0.64 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 2bbn h ARG 126 CO -0.29 -0.49 0.56 0.93 -1.51 0.00 0.00 179.97 179.17 2bbn h GLU 127 N -0.76 0.00 0.10 0.20 4.39 -1.22 -0.73 114.58 116.57 2bbn h GLU 127 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2bbn h GLU 127 Cb 0.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2bbn h GLU 127 CO -0.26 0.00 -0.05 0.00 -1.16 0.00 0.00 179.01 177.54 2bbn h ALA 128 N 1.50 -0.14 -2.71 3.43 0.00 0.25 -3.42 119.26 118.18 2bbn h ALA 128 Ca 0.31 -0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.56 2bbn h ALA 128 Cb 1.42 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2bbn h ALA 128 CO -0.00 -0.47 0.14 -0.51 0.00 0.00 0.00 179.25 178.41 2bbn s ASP 129 N -5.28 7.31 0.06 0.00 1.01 -0.28 -4.97 116.67 114.54 2bbn s ASP 129 Ca -0.14 1.57 -0.03 0.00 0.71 0.00 0.00 52.55 54.65 2bbn s ASP 129 Cb 0.04 -2.47 -0.28 0.00 1.01 0.00 0.00 42.92 41.22 2bbn s ASP 129 CO 0.64 0.21 1.10 0.40 0.21 0.00 0.00 175.17 177.72 2bbn h ILE 130 N 3.30 1.45 -2.25 0.77 1.08 -1.83 -3.47 117.51 116.57 2bbn h ILE 130 Ca -0.48 -3.04 -0.45 0.00 -0.39 0.00 0.00 64.86 60.50 2bbn h ILE 130 Cb 1.21 2.90 0.06 0.00 -3.07 0.00 0.00 36.82 37.92 2bbn h ILE 130 CO 0.65 0.88 0.01 1.51 -0.69 0.00 0.00 178.15 180.51 2bbn s ASP 131 N -7.08 4.95 -1.19 1.72 1.47 -1.26 -4.95 116.67 110.32 2bbn s ASP 131 Ca -0.04 -0.20 -0.18 0.00 1.18 0.00 0.00 52.55 53.31 2bbn s ASP 131 Cb 0.07 -0.49 -0.03 0.00 -0.34 0.00 0.00 42.92 42.13 2bbn s ASP 131 CO 0.87 -1.40 2.04 0.61 0.68 0.00 0.00 175.17 177.97 2bbn n GLY 132 N -2.50 3.29 0.43 2.12 0.00 -1.26 -4.45 105.19 102.82 2bbn n GLY 132 Ca 0.11 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 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 7.57 1.46 0.00 1.61 9.92 -1.26 -5.01 116.55 130.83 2bbn n ASP 133 Ca 0.50 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.99 2bbn n ASP 133 Cb 0.41 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 134 N 2.20 0.78 3.20 0.44 0.00 -1.26 -5.03 105.19 105.51 2bbn n GLY 134 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.42 0.91 -0.10 1.61 -0.21 -1.26 -4.81 119.66 115.38 2bbn s GLN 135 Ca 0.00 -1.27 0.03 0.00 0.02 0.00 0.00 55.36 54.14 2bbn s GLN 135 Cb 0.00 -0.51 -0.01 0.00 1.00 0.00 0.00 33.01 33.50 2bbn s GLN 135 CO 0.00 0.06 -0.21 0.08 -2.12 0.00 0.00 175.29 173.10 2bbn s VAL 136 N -2.89 2.35 0.29 1.09 1.01 -1.22 -4.85 120.40 116.17 2bbn s VAL 136 Ca 0.10 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2bbn s VAL 136 Cb 0.00 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2bbn s VAL 136 CO -0.01 0.55 0.13 -0.46 0.00 0.00 0.00 175.10 175.32 2bbn n ASN 137 N 3.36 2.25 0.26 3.32 0.23 -1.26 -1.32 115.26 122.10 2bbn n ASN 137 Ca -0.18 -2.09 -0.13 0.00 -0.53 0.00 0.00 54.58 51.65 2bbn n ASN 137 Cb 0.53 0.06 -0.07 0.00 -2.08 0.00 0.00 39.78 38.22 2bbn n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2bbn h TYR 138 N 0.80 -0.96 0.00 -2.53 5.03 -2.00 -1.60 116.97 115.71 2bbn h TYR 138 Ca -0.20 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.11 2bbn h TYR 138 Cb 0.68 0.36 0.00 0.00 1.55 0.00 0.00 36.73 39.32 2bbn h TYR 138 CO 0.00 -0.50 0.00 0.39 -1.32 0.00 0.00 178.16 176.73 2bbn n GLU 139 N -4.57 0.00 -0.46 1.82 -0.58 -1.26 -0.22 120.64 115.37 2bbn n GLU 139 Ca -0.10 0.89 0.38 0.00 -0.42 0.00 0.00 57.16 57.91 2bbn n GLU 139 Cb 0.34 -1.50 0.67 0.00 -0.57 0.00 0.00 31.44 30.39 2bbn n GLU 139 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2bbn h GLU 140 N 0.00 0.09 -0.01 3.49 5.08 -1.95 1.48 114.58 122.77 2bbn h GLU 140 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2bbn h GLU 140 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2bbn h GLU 140 CO 0.00 0.06 -0.16 0.35 -1.00 0.00 0.00 179.01 178.26 2bbn h PHE 141 N 0.10 0.17 -0.00 4.33 3.04 0.21 0.11 116.94 124.90 2bbn h PHE 141 Ca 0.79 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.65 2bbn h PHE 141 Cb 2.61 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 41.10 2bbn h PHE 141 CO -0.00 0.87 -0.03 1.55 -2.02 0.00 0.00 178.31 178.67 2bbn n VAL 142 N -4.58 0.00 0.01 1.41 3.14 0.69 -2.61 118.33 116.38 2bbn n VAL 142 Ca -0.09 -0.02 0.10 0.00 -2.96 0.00 0.00 64.34 61.36 2bbn n VAL 142 Cb 0.45 -0.36 -0.15 0.00 -1.06 0.00 0.00 33.84 32.72 2bbn n VAL 142 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2bbn n THR 143 N -1.12 0.00 0.02 1.55 -1.04 0.48 -3.97 114.28 110.19 2bbn n THR 143 Ca 0.16 -0.43 -0.18 0.00 -2.04 0.00 0.00 64.05 61.56 2bbn n THR 143 Cb 0.23 0.08 -0.14 0.00 -1.82 0.00 0.00 70.33 68.68 2bbn n THR 143 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2bbn h MET 144 N 0.00 0.22 -0.73 -2.82 1.85 -0.85 -3.29 114.93 109.31 2bbn h MET 144 Ca 0.00 -0.37 -0.04 0.00 -0.61 0.00 0.00 59.70 58.68 2bbn h MET 144 Cb 0.87 0.14 -0.02 0.00 0.43 0.00 0.00 31.60 33.02 2bbn h MET 144 CO 0.00 1.05 0.05 -1.33 -0.40 0.00 0.00 176.91 176.27 2bbn n MET 145 N -3.39 3.67 -2.69 0.39 2.81 -1.07 -4.20 117.12 112.64 2bbn n MET 145 Ca -0.25 -2.29 -0.06 0.00 -1.81 0.00 0.00 57.70 53.29 2bbn n MET 145 Cb 1.05 -2.04 0.12 0.00 -0.71 0.00 0.00 33.22 31.63 2bbn n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2bbn n THR 146 N 0.35 0.07 -3.86 2.03 -1.04 -1.25 -5.05 114.28 105.53 2bbn n THR 146 Ca 0.22 -1.48 -0.30 0.00 -2.04 0.00 0.00 64.05 60.46 2bbn n THR 146 Cb 0.98 0.99 -0.11 0.00 -1.82 0.00 0.00 70.33 70.37 2bbn n THR 146 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2bbn s SER 147 N -1.33 4.97 0.00 8.00 0.15 -1.24 -4.84 113.70 119.40 2bbn s SER 147 Ca 0.19 -3.75 0.00 0.00 0.70 0.00 0.00 55.95 53.09 2bbn s SER 147 Cb 0.41 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2bbn s SER 147 CO -0.09 -0.11 0.00 0.29 1.20 0.00 0.00 173.24 174.52