#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 1.07 -0.58 0.00 8.00 -1.26 -4.34 116.55 119.44 2bbn n ASP 2 Ca 0.00 -1.03 0.11 0.00 0.71 0.00 0.00 54.79 54.58 2bbn n ASP 2 Cb 0.00 0.74 0.03 0.00 -0.02 0.00 0.00 41.12 41.87 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 -0.75 1.43 -0.36 -1.24 6.02 -1.26 -4.06 117.38 117.17 2bbn n GLN 3 Ca 0.04 -1.17 0.11 0.00 -0.01 0.00 0.00 57.00 55.97 2bbn n GLN 3 Cb 0.26 -1.48 0.31 0.00 1.02 0.00 0.00 30.24 30.35 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 0.24 3.78 0.00 1.08 4.77 -1.26 -4.87 117.00 120.75 2bbn n LEU 4 Ca 0.10 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 2bbn n LEU 4 Cb 0.49 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2bbn n LEU 4 CO 0.26 0.95 0.00 1.07 -1.33 0.00 0.00 177.39 178.33 2bbn n THR 5 N 1.57 0.00 -1.54 -5.08 5.66 -1.26 -5.00 114.28 108.64 2bbn n THR 5 Ca 0.24 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 61.09 2bbn n THR 5 Cb 0.60 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.32 2bbn n THR 5 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2bbn n GLU 6 N 0.00 -1.06 -0.03 1.09 2.13 -1.26 -4.90 120.64 116.61 2bbn n GLU 6 Ca 0.00 0.99 -0.00 0.00 0.66 0.00 0.00 57.16 58.81 2bbn n GLU 6 Cb 0.00 -5.16 -0.00 0.00 0.27 0.00 0.00 31.44 26.55 2bbn n GLU 6 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2bbn h GLU 7 N 0.00 -0.03 -0.38 5.31 4.39 -1.94 -3.23 114.58 118.70 2bbn h GLU 7 Ca -0.31 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 2bbn h GLU 7 Cb 1.02 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 2bbn h GLU 7 CO 0.45 -0.02 0.23 1.96 -1.16 0.00 0.00 179.01 180.47 2bbn h GLN 8 N -0.79 0.51 -0.75 2.33 1.08 -2.00 -2.64 115.11 112.84 2bbn h GLN 8 Ca -0.00 -0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.29 2bbn h GLN 8 Cb 0.02 -0.11 -0.14 0.00 -0.05 0.00 0.00 27.48 27.21 2bbn h GLN 8 CO 0.01 0.37 -0.30 0.82 -0.95 0.00 0.00 178.83 178.78 2bbn h ILE 9 N 0.50 0.14 -0.88 2.54 2.04 -1.97 0.48 117.51 120.36 2bbn h ILE 9 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 2bbn h ILE 9 Cb -0.01 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 2bbn h ILE 9 CO -0.03 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.70 2bbn h ALA 10 N 1.37 1.15 0.08 1.87 0.00 -1.51 -0.78 119.26 121.43 2bbn h ALA 10 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2bbn h ALA 10 Cb 0.57 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2bbn h ALA 10 CO -0.80 0.45 -0.23 1.49 0.00 0.00 0.00 179.25 180.16 2bbn h GLU 11 N 1.13 -0.34 -0.79 0.00 4.81 0.27 -0.03 114.58 119.64 2bbn h GLU 11 Ca 0.34 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.68 2bbn h GLU 11 Cb -0.04 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.35 2bbn h GLU 11 CO -0.10 -0.22 0.45 0.35 -0.73 0.00 0.00 179.01 178.75 2bbn h PHE 12 N -0.35 0.81 -0.95 0.92 3.57 -1.28 0.15 116.94 119.81 2bbn h PHE 12 Ca -0.01 0.03 0.23 0.00 3.53 0.00 0.00 57.97 61.75 2bbn h PHE 12 Cb 0.34 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 2bbn h PHE 12 CO -0.34 0.34 0.63 -0.22 -2.23 0.00 0.00 178.31 176.50 2bbn h LYS 13 N 0.77 0.35 -0.35 1.11 3.64 -0.53 0.36 116.57 121.91 2bbn h LYS 13 Ca 0.37 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 2bbn h LYS 13 Cb 0.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2bbn h LYS 13 CO -0.23 0.23 -0.16 1.49 -2.27 0.00 0.00 179.45 178.51 2bbn h GLU 14 N 0.36 0.74 -0.96 1.90 4.57 0.12 -2.65 114.58 118.66 2bbn h GLU 14 Ca 0.50 -0.32 0.27 0.00 -1.18 0.00 0.00 59.36 58.63 2bbn h GLU 14 Cb 1.34 -0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 29.77 2bbn h GLU 14 CO -0.19 0.93 0.48 0.00 -1.18 0.00 0.00 179.01 179.05 2bbn h ALA 15 N 0.79 1.70 -0.11 2.92 0.00 0.07 0.17 119.26 124.79 2bbn h ALA 15 Ca 0.08 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2bbn h ALA 15 Cb 0.70 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2bbn h ALA 15 CO 0.05 -0.43 -0.12 0.74 0.00 0.00 0.00 179.25 179.49 2bbn h PHE 16 N 0.39 0.34 -0.41 0.00 -1.00 -1.25 0.16 116.94 115.16 2bbn h PHE 16 Ca 0.65 -0.10 0.12 0.00 2.81 0.00 0.00 57.97 61.44 2bbn h PHE 16 Cb 1.34 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.82 2bbn h PHE 16 CO -0.08 0.70 0.51 0.77 -1.61 0.00 0.00 178.31 178.60 2bbn h SER 17 N -0.12 0.00 0.00 2.17 0.02 -0.37 0.17 113.55 115.43 2bbn h SER 17 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2bbn h SER 17 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2bbn h SER 17 CO 0.03 0.00 -0.63 -0.11 -1.14 0.00 0.00 176.83 174.98 2bbn n LEU 18 N -3.55 1.54 -0.31 5.07 7.94 -0.61 -4.44 117.00 122.65 2bbn n LEU 18 Ca 0.07 0.42 0.15 0.00 -1.11 0.00 0.00 56.01 55.54 2bbn n LEU 18 Cb 0.68 -0.75 0.34 0.00 0.53 0.00 0.00 43.42 44.21 2bbn n LEU 18 CO 0.25 -0.39 1.03 0.15 -1.11 0.00 0.00 177.39 177.31 2bbn h PHE 19 N -0.82 0.62 -2.45 1.96 3.04 -0.44 -3.30 116.94 115.54 2bbn h PHE 19 Ca 0.00 0.04 -0.58 0.00 3.98 0.00 0.00 57.97 61.41 2bbn h PHE 19 Cb 0.63 -0.13 -0.11 0.00 2.56 0.00 0.00 35.95 38.90 2bbn h PHE 19 CO -0.27 -0.13 0.85 0.34 -2.02 0.00 0.00 178.31 177.08 2bbn s ASP 20 N -5.09 6.19 -0.41 0.41 -1.08 0.59 -4.84 116.67 112.43 2bbn s ASP 20 Ca -0.11 -0.75 0.05 0.00 -0.52 0.00 0.00 52.55 51.22 2bbn s ASP 20 Cb 0.27 -2.50 0.49 0.00 -1.46 0.00 0.00 42.92 39.72 2bbn s ASP 20 CO 0.78 -1.64 1.58 2.29 0.52 0.00 0.00 175.17 178.70 2bbn n LYS 21 N 8.59 2.62 0.00 4.34 2.85 -1.25 -4.57 118.16 130.75 2bbn n LYS 21 Ca 0.01 -3.49 0.00 0.00 -1.05 0.00 0.00 58.31 53.78 2bbn n LYS 21 Cb 0.48 -2.11 0.00 0.00 -0.65 0.00 0.00 35.03 32.74 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2bbn n ASP 22 N -0.95 0.73 0.00 -5.58 5.75 -1.26 -5.06 116.55 110.18 2bbn n ASP 22 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.25 2bbn n ASP 22 Cb 0.97 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 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 2.23 1.20 0.16 6.12 0.00 -1.26 -5.06 105.19 108.58 2bbn n GLY 23 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2bbn n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bbn n ASP 24 N 0.00 1.88 -0.40 1.61 8.00 -1.26 -5.04 116.55 121.34 2bbn n ASP 24 Ca 0.00 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2bbn n ASP 24 Cb 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 2bbn n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 25 N 1.45 0.90 3.49 0.44 0.00 -1.26 -5.08 105.19 105.13 2bbn n GLY 25 Ca -0.33 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.66 -0.01 -0.90 2.61 -4.23 -1.26 -4.82 115.64 104.37 2bbn s THR 26 Ca 0.00 0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.30 2bbn s THR 26 Cb 0.00 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.99 2bbn s THR 26 CO 0.00 0.01 1.75 -0.63 -0.54 0.00 0.00 174.62 175.22 2bbn s ILE 27 N 1.47 3.59 0.45 2.99 -1.09 -1.12 -4.68 121.20 122.81 2bbn s ILE 27 Ca -0.09 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 57.99 2bbn s ILE 27 Cb -0.06 -4.36 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 2bbn s ILE 27 CO -0.16 -1.29 0.01 0.28 -1.23 0.00 0.00 174.94 172.55 2bbn s THR 28 N 8.21 1.59 0.61 2.92 -1.32 -1.26 -3.31 115.64 123.08 2bbn s THR 28 Ca 0.61 -2.00 0.28 0.00 -1.21 0.00 0.00 61.69 59.37 2bbn s THR 28 Cb -0.05 -2.62 0.36 0.00 -1.51 0.00 0.00 72.50 68.68 2bbn s THR 28 CO -0.00 0.00 1.83 0.71 -2.21 0.00 0.00 174.62 174.95 2bbn h THR 29 N 1.60 0.26 0.18 5.08 1.35 -1.91 0.37 112.91 119.84 2bbn h THR 29 Ca -0.44 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 2bbn h THR 29 Cb 1.27 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2bbn h THR 29 CO 0.77 0.00 -0.09 0.50 -0.25 0.00 0.00 175.52 176.46 2bbn h LYS 30 N 0.00 -0.23 0.06 4.72 3.64 -1.94 -0.61 116.57 122.21 2bbn h LYS 30 Ca 0.19 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2bbn h LYS 30 Cb 1.24 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2bbn h LYS 30 CO -0.00 0.18 -0.03 0.93 -2.27 0.00 0.00 179.45 178.26 2bbn h GLU 31 N -0.80 -0.08 -0.10 1.90 5.08 -1.39 -2.50 114.58 116.69 2bbn h GLU 31 Ca -0.02 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2bbn h GLU 31 Cb 0.52 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 2bbn h GLU 31 CO 0.04 0.36 -0.43 1.25 -1.00 0.00 0.00 179.01 179.24 2bbn h LEU 32 N -0.56 -1.34 -0.09 1.33 5.85 -0.46 -1.27 115.31 118.77 2bbn h LEU 32 Ca -0.01 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2bbn h LEU 32 Cb 0.48 0.54 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 2bbn h LEU 32 CO 0.01 -0.44 -0.39 1.23 -0.34 0.00 0.00 178.44 178.52 2bbn h GLY 33 N -0.52 -1.23 -0.13 3.75 0.00 -1.15 0.52 103.07 104.32 2bbn h GLY 33 Ca 0.07 0.68 0.01 0.00 0.00 0.00 0.00 47.33 48.09 2bbn h GLY 33 CO -0.38 -0.31 -0.10 -0.91 0.00 0.00 0.00 176.54 174.83 2bbn h THR 34 N -0.42 0.00 0.19 4.70 1.35 -1.06 0.58 112.91 118.25 2bbn h THR 34 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.88 2bbn h THR 34 Cb 0.49 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2bbn h THR 34 CO -0.31 0.00 -0.16 0.58 -0.25 0.00 0.00 175.52 175.38 2bbn h VAL 35 N -0.03 0.00 -1.33 6.82 2.07 -1.04 0.51 116.25 123.24 2bbn h VAL 35 Ca 0.02 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.98 2bbn h VAL 35 Cb 0.09 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.73 2bbn h VAL 35 CO -0.14 0.00 0.87 -0.03 0.02 0.00 0.00 177.57 178.29 2bbn h MET 36 N -0.34 0.08 -0.03 1.57 -1.53 0.18 1.69 114.93 116.55 2bbn h MET 36 Ca -0.02 -0.01 -0.19 0.00 -3.44 0.00 0.00 59.70 56.04 2bbn h MET 36 Cb 0.29 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.31 2bbn h MET 36 CO -0.01 0.06 -0.79 -0.09 0.14 0.00 0.00 176.91 176.22 2bbn h ARG 37 N 0.09 0.29 0.00 0.39 2.43 0.85 -2.46 114.38 115.97 2bbn h ARG 37 Ca 0.82 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 2bbn h ARG 37 Cb 2.59 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 32.20 2bbn h ARG 37 CO -0.40 0.94 0.00 0.43 -1.51 0.00 0.00 179.97 179.43 2bbn n SER 38 N -3.76 0.01 -0.12 -3.80 7.64 0.57 -1.06 113.62 113.10 2bbn n SER 38 Ca -0.04 0.50 -0.25 0.00 1.01 0.00 0.00 58.87 60.10 2bbn n SER 38 Cb 0.75 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.51 1.91 -2.62 -3.43 4.32 -0.57 -4.85 117.00 110.25 2bbn n LEU 39 Ca 0.05 0.39 -0.02 0.00 -0.02 0.00 0.00 56.01 56.41 2bbn n LEU 39 Cb 0.22 -0.89 0.11 0.00 -1.62 0.00 0.00 43.42 41.25 2bbn n LEU 39 CO 0.18 0.37 0.55 0.61 -1.22 0.00 0.00 177.39 177.88 2bbn n GLY 40 N 1.36 1.96 3.53 -0.72 0.00 -0.95 -5.12 105.19 105.25 2bbn n GLY 40 Ca -0.41 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.38 -1.76 -3.87 1.61 6.02 -0.22 -4.94 117.38 112.84 2bbn n GLN 41 Ca -0.15 1.16 -0.11 0.00 -0.01 0.00 0.00 57.00 57.89 2bbn n GLN 41 Cb 0.87 -2.15 -0.10 0.00 1.02 0.00 0.00 30.24 29.88 2bbn n GLN 41 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2bbn s ASN 42 N -5.86 0.02 0.00 1.08 0.02 -1.26 -4.30 114.94 104.64 2bbn s ASN 42 Ca 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 52.86 51.65 2bbn s ASN 42 Cb 0.00 0.21 0.00 0.00 0.02 0.00 0.00 41.25 41.48 2bbn s ASN 42 CO 0.00 -0.36 0.93 -0.81 0.02 0.00 0.00 177.10 176.88 2bbn n PRO 43 N 1.48 0.00 -1.29 -0.60 -0.04 -1.26 -4.97 135.00 128.33 2bbn n PRO 43 Ca -0.22 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2bbn n PRO 43 Cb 0.56 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2bbn n PRO 43 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bbn n THR 44 N -1.84 0.00 -0.05 0.52 -2.24 -1.26 -5.09 114.28 104.32 2bbn n THR 44 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2bbn n THR 44 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2bbn n THR 44 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2bbn n GLU 45 N 0.00 0.22 -0.09 -0.78 0.28 -1.26 -4.38 120.64 114.63 2bbn n GLU 45 Ca 0.00 0.06 0.02 0.00 -0.16 0.00 0.00 57.16 57.08 2bbn n GLU 45 Cb 0.00 -1.10 0.34 0.00 1.43 0.00 0.00 31.44 32.10 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bbn h ALA 46 N -0.08 1.58 -0.04 -1.84 0.00 -2.00 -1.35 119.26 115.51 2bbn h ALA 46 Ca -0.22 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2bbn h ALA 46 Cb 1.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2bbn h ALA 46 CO -0.06 0.38 -0.48 0.93 0.00 0.00 0.00 179.25 180.02 2bbn h GLU 47 N 0.75 0.10 0.11 0.00 5.08 -2.00 -2.68 114.58 115.94 2bbn h GLU 47 Ca 0.20 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2bbn h GLU 47 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2bbn h GLU 47 CO -0.04 0.56 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.41 2bbn h LEU 48 N 0.08 -0.12 -0.96 1.33 4.07 -1.47 -1.18 115.31 117.06 2bbn h LEU 48 Ca 0.00 -0.40 0.11 0.00 0.08 0.00 0.00 57.88 57.67 2bbn h LEU 48 Cb 0.88 0.03 -0.08 0.00 1.08 0.00 0.00 40.66 42.57 2bbn h LEU 48 CO 0.07 0.38 0.60 -0.61 -1.08 0.00 0.00 178.44 177.79 2bbn h GLN 49 N -0.66 0.95 -0.15 1.13 -0.00 -1.42 -1.38 115.11 113.58 2bbn h GLN 49 Ca -0.01 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 2bbn h GLN 49 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.78 2bbn h GLN 49 CO 0.02 0.63 0.03 0.38 0.00 0.00 0.00 178.83 179.89 2bbn h ASP 50 N 0.97 0.23 -0.18 -0.69 3.04 -1.45 -1.51 116.42 116.83 2bbn h ASP 50 Ca 0.47 -0.25 0.05 0.00 -3.24 0.00 0.00 57.03 54.06 2bbn h ASP 50 Cb 0.41 -0.06 -0.01 0.00 -1.04 0.00 0.00 39.33 38.63 2bbn h ASP 50 CO -0.25 0.42 0.26 -0.03 -2.04 0.00 0.00 179.24 177.60 2bbn h MET 51 N 0.04 0.00 0.00 4.15 4.05 -0.16 0.25 114.93 123.25 2bbn h MET 51 Ca 0.05 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.27 2bbn h MET 51 Cb 0.28 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 2bbn h MET 51 CO 0.00 0.00 -1.30 0.82 0.23 0.00 0.00 176.91 176.66 2bbn h ILE 52 N 0.00 0.81 0.00 1.77 2.04 -0.74 -3.29 117.51 118.10 2bbn h ILE 52 Ca 0.09 -2.41 -0.03 0.00 1.00 0.00 0.00 64.86 63.51 2bbn h ILE 52 Cb 0.61 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2bbn h ILE 52 CO -0.00 0.46 -0.13 -1.13 0.00 0.00 0.00 178.15 177.35 2bbn h ASN 53 N 0.00 0.00 0.73 1.72 -1.24 0.46 0.24 115.58 117.50 2bbn h ASN 53 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.86 2bbn h ASN 53 Cb 1.70 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.75 2bbn h ASN 53 CO 0.07 0.13 0.00 1.21 -1.29 0.00 0.00 177.43 177.55 2bbn n GLU 54 N -3.24 0.23 0.00 6.67 2.13 -0.78 -3.57 120.64 122.09 2bbn n GLU 54 Ca 0.01 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2bbn n GLU 54 Cb 0.41 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.62 2bbn n GLU 54 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2bbn n VAL 55 N -1.38 0.13 -3.15 6.31 3.14 -0.90 -4.98 118.33 117.50 2bbn n VAL 55 Ca 0.11 -0.17 -0.45 0.00 -2.96 0.00 0.00 64.34 60.87 2bbn n VAL 55 Cb 0.28 1.23 -0.03 0.00 -1.06 0.00 0.00 33.84 34.26 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2bbn s ASP 56 N -0.13 6.53 -1.21 6.55 2.15 0.81 -4.93 116.67 126.44 2bbn s ASP 56 Ca 0.00 -2.10 -0.09 0.00 0.43 0.00 0.00 52.55 50.79 2bbn s ASP 56 Cb 0.00 -2.29 -0.07 0.00 -0.30 0.00 0.00 42.92 40.26 2bbn s ASP 56 CO 0.00 -0.89 2.43 0.00 -0.17 0.00 0.00 175.17 176.55 2bbn n ALA 57 N 5.46 5.77 -1.85 3.66 0.00 -1.26 -4.35 120.51 127.95 2bbn n ALA 57 Ca 0.09 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.78 2bbn n ALA 57 Cb 0.46 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.70 2bbn n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bbn n ASP 58 N 4.25 0.00 0.01 0.00 2.03 -1.26 -5.12 116.55 116.46 2bbn n ASP 58 Ca 0.58 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.89 2bbn n ASP 58 Cb 0.20 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 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 0.00 -1.76 0.32 0.27 0.00 -1.26 -4.93 105.19 97.83 2bbn n GLY 59 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 46.02 46.70 2bbn n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2bbn h ASN 60 N 0.00 0.00 -0.76 1.61 7.08 -2.00 -3.43 115.58 118.09 2bbn h ASN 60 Ca 0.00 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.11 2bbn h ASN 60 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 2bbn h ASN 60 CO 0.00 0.00 -0.14 0.61 -2.08 0.00 0.00 177.43 175.82 2bbn n GLY 61 N -1.42 0.20 3.06 9.14 0.00 -1.26 -5.03 105.19 109.88 2bbn n GLY 61 Ca -0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.28 0.31 -0.14 2.61 -4.23 -1.26 -4.69 115.64 105.96 2bbn s THR 62 Ca 0.00 -1.39 -0.06 0.00 -1.18 0.00 0.00 61.69 59.05 2bbn s THR 62 Cb 0.00 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 2bbn s THR 62 CO 0.00 -0.70 0.08 -0.63 -0.54 0.00 0.00 174.62 172.83 2bbn s ILE 63 N -2.58 4.99 0.00 2.99 1.09 -1.21 -4.95 121.20 121.53 2bbn s ILE 63 Ca -0.03 0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 2bbn s ILE 63 Cb -0.02 -3.20 0.00 0.00 -1.06 0.00 0.00 42.46 38.18 2bbn s ILE 63 CO -0.04 0.54 0.00 -0.67 -0.10 0.00 0.00 174.94 174.67 2bbn n ASP 64 N 2.74 0.00 -0.10 3.58 2.03 -1.26 -2.78 116.55 120.77 2bbn n ASP 64 Ca -0.18 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 54.99 2bbn n ASP 64 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.17 0.09 -0.67 3.01 -1.26 -4.24 117.46 114.56 2bbn n PHE 65 Ca 0.00 0.07 -0.04 0.00 1.01 0.00 0.00 57.45 58.49 2bbn n PHE 65 Cb 0.00 -0.67 -0.02 0.00 -0.01 0.00 0.00 39.48 38.78 2bbn n PHE 65 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2bbn h PRO 66 N -1.00 -0.26 -0.92 -1.08 0.10 -2.00 -2.76 132.00 124.08 2bbn h PRO 66 Ca -0.17 0.02 0.18 0.00 0.10 0.00 0.00 66.00 66.13 2bbn h PRO 66 Cb 1.09 0.06 -0.17 0.00 0.10 0.00 0.00 31.00 32.07 2bbn h PRO 66 CO -0.10 -0.17 -0.24 0.93 0.10 0.00 0.00 178.00 178.51 2bbn h GLU 67 N -0.27 -0.00 -0.46 1.05 5.08 -1.98 0.17 114.58 118.17 2bbn h GLU 67 Ca -0.02 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2bbn h GLU 67 Cb 0.22 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 2bbn h GLU 67 CO 0.02 -0.00 -0.40 0.35 -1.00 0.00 0.00 179.01 177.98 2bbn h PHE 68 N -0.00 -1.15 -0.84 4.33 3.57 -1.71 0.74 116.94 121.88 2bbn h PHE 68 Ca 0.43 0.07 0.02 0.00 3.53 0.00 0.00 57.97 62.02 2bbn h PHE 68 Cb 0.67 0.57 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 2bbn h PHE 68 CO -0.72 -0.42 0.55 -0.07 -2.23 0.00 0.00 178.31 175.42 2bbn h LEU 69 N -0.27 0.93 -1.18 0.59 3.38 -0.42 -1.51 115.31 116.82 2bbn h LEU 69 Ca 0.16 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2bbn h LEU 69 Cb 0.57 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2bbn h LEU 69 CO -0.60 0.66 -0.27 0.00 0.09 0.00 0.00 178.44 178.31 2bbn h THR 70 N 1.09 0.72 -0.24 0.22 1.03 0.29 0.13 112.91 116.14 2bbn h THR 70 Ca 0.32 -1.18 -0.15 0.00 -0.01 0.00 0.00 66.41 65.38 2bbn h THR 70 Cb -0.07 1.75 -0.01 0.00 -1.07 0.00 0.00 68.15 68.76 2bbn h THR 70 CO -0.09 0.27 -0.48 -0.03 -0.01 0.00 0.00 175.52 175.18 2bbn h MET 71 N 0.00 0.65 -0.02 0.00 -1.53 0.15 0.33 114.93 114.51 2bbn h MET 71 Ca -0.00 -0.38 0.00 0.00 -3.44 0.00 0.00 59.70 55.88 2bbn h MET 71 Cb 0.73 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.81 2bbn h MET 71 CO 0.04 0.99 -0.33 -0.12 0.14 0.00 0.00 176.91 177.62 2bbn n MET 72 N -4.00 1.43 0.00 0.39 0.00 -1.01 -4.14 117.12 109.80 2bbn n MET 72 Ca -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 57.70 56.52 2bbn n MET 72 Cb 0.57 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.31 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 0.22 2.18 -1.29 -5.12 0.00 0.44 -5.06 120.51 111.88 2bbn n ALA 73 Ca 0.11 -0.81 -0.36 0.00 0.00 0.00 0.00 53.44 52.38 2bbn n ALA 73 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.31 0.36 -1.64 0.00 3.00 0.11 -4.79 116.66 113.39 2bbn n ARG 74 Ca 0.00 0.16 -0.41 0.00 -0.00 0.00 0.00 57.85 57.60 2bbn n ARG 74 Cb 0.16 -1.92 -0.01 0.00 0.00 0.00 0.00 32.46 30.69 2bbn n ARG 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2bbn n LYS 75 N -0.97 3.20 -3.25 -0.14 4.76 -1.26 -4.67 118.16 115.83 2bbn n LYS 75 Ca 0.11 -2.55 -0.26 0.00 -2.87 0.00 0.00 58.31 52.74 2bbn n LYS 75 Cb 0.50 -3.10 -0.06 0.00 -1.84 0.00 0.00 35.03 30.52 2bbn n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2bbn n MET 76 N 5.10 2.27 -2.86 1.97 2.81 -1.26 -5.02 117.12 120.12 2bbn n MET 76 Ca 0.60 -4.37 -0.43 0.00 -1.81 0.00 0.00 57.70 51.69 2bbn n MET 76 Cb 0.34 -2.03 -0.02 0.00 -0.71 0.00 0.00 33.22 30.79 2bbn n MET 76 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2bbn s LYS 77 N -2.50 3.64 0.58 0.03 -0.14 -1.26 -4.99 119.74 115.09 2bbn s LYS 77 Ca 0.41 -1.72 0.04 0.00 -1.36 0.00 0.00 55.97 53.35 2bbn s LYS 77 Cb 0.20 -5.01 0.11 0.00 -1.68 0.00 0.00 37.83 31.45 2bbn s LYS 77 CO -0.06 -1.85 0.80 -0.25 -0.76 0.00 0.00 175.35 173.22 2bbn n ASP 78 N 6.90 1.54 -4.91 2.83 8.00 -1.26 -5.10 116.55 124.55 2bbn n ASP 78 Ca 0.27 -2.19 -0.30 0.00 0.71 0.00 0.00 54.79 53.27 2bbn n ASP 78 Cb 0.49 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 2bbn n ASP 78 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2bbn s THR 79 N -2.45 5.19 -1.53 -3.53 -4.23 -1.26 -4.31 115.64 103.52 2bbn s THR 79 Ca 0.56 -0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 60.88 2bbn s THR 79 Cb -0.04 -3.65 0.07 0.00 1.34 0.00 0.00 72.50 70.22 2bbn s THR 79 CO 0.37 -0.01 0.71 0.47 -0.54 0.00 0.00 174.62 175.61 2bbn n ASP 80 N -0.11 -2.50 -1.60 3.99 9.92 -1.26 -4.81 116.55 120.19 2bbn n ASP 80 Ca -0.03 -0.94 -0.10 0.00 -0.53 0.00 0.00 54.79 53.20 2bbn n ASP 80 Cb 0.52 -3.25 0.13 0.00 -0.64 0.00 0.00 41.12 37.88 2bbn n ASP 80 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2bbn n SER 81 N -2.84 3.48 -0.75 -2.24 2.88 -1.26 -4.37 113.62 108.51 2bbn n SER 81 Ca -0.09 -2.82 -0.00 0.00 -1.33 0.00 0.00 58.87 54.63 2bbn n SER 81 Cb 0.58 -0.67 0.02 0.00 -0.75 0.00 0.00 64.21 63.38 2bbn n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2bbn n GLU 82 N -0.25 1.14 0.16 -1.46 2.13 -1.26 -3.83 120.64 117.28 2bbn n GLU 82 Ca 0.30 -0.15 0.03 0.00 0.66 0.00 0.00 57.16 58.00 2bbn n GLU 82 Cb 1.08 -1.36 0.23 0.00 0.27 0.00 0.00 31.44 31.66 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2bbn h GLU 83 N 0.14 0.00 0.67 5.31 5.08 -1.99 -2.51 114.58 121.28 2bbn h GLU 83 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2bbn h GLU 83 Cb 0.77 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.03 2bbn h GLU 83 CO 0.04 0.47 -0.32 0.93 -1.00 0.00 0.00 179.01 179.12 2bbn h GLU 84 N 0.00 -0.87 -0.85 2.33 5.08 -1.97 -2.44 114.58 115.86 2bbn h GLU 84 Ca -0.00 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2bbn h GLU 84 Cb 1.07 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2bbn h GLU 84 CO 0.06 -0.58 0.56 0.82 -1.00 0.00 0.00 179.01 178.88 2bbn h ILE 85 N -1.09 1.19 0.04 3.13 5.03 -1.87 -2.60 117.51 121.35 2bbn h ILE 85 Ca -0.09 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 2bbn h ILE 85 Cb 0.69 -0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.44 2bbn h ILE 85 CO 0.15 0.20 -0.11 -0.09 -0.68 0.00 0.00 178.15 177.62 2bbn h ARG 86 N 1.12 -0.17 -0.91 2.37 2.43 -1.41 0.19 114.38 118.01 2bbn h ARG 86 Ca 0.32 0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.74 2bbn h ARG 86 Cb -0.08 0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 29.37 2bbn h ARG 86 CO -0.08 -0.11 0.36 1.49 -1.51 0.00 0.00 179.97 180.12 2bbn h GLU 87 N -0.18 0.30 -0.31 0.20 4.81 -1.36 0.38 114.58 118.43 2bbn h GLU 87 Ca -0.00 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2bbn h GLU 87 Cb 0.17 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2bbn h GLU 87 CO -0.05 0.20 0.12 0.00 -0.73 0.00 0.00 179.01 178.55 2bbn h ALA 88 N 1.76 0.36 -0.05 2.92 0.00 -0.95 0.26 119.26 123.56 2bbn h ALA 88 Ca 0.58 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.54 2bbn h ALA 88 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2bbn h ALA 88 CO -0.59 -0.28 0.14 0.35 0.00 0.00 0.00 179.25 178.87 2bbn h PHE 89 N 0.26 0.00 0.12 0.00 3.04 0.28 0.15 116.94 120.80 2bbn h PHE 89 Ca 0.14 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 2bbn h PHE 89 Cb 0.09 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.60 2bbn h PHE 89 CO -0.12 0.00 -0.06 -0.09 -2.02 0.00 0.00 178.31 176.02 2bbn h ARG 90 N 0.00 -0.16 0.00 1.11 2.43 0.35 -2.08 114.38 116.03 2bbn h ARG 90 Ca 0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2bbn h ARG 90 Cb 0.30 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2bbn h ARG 90 CO -0.00 0.11 0.00 -0.39 -1.51 0.00 0.00 179.97 178.18 2bbn h VAL 91 N -1.00 0.00 0.02 0.20 -1.51 -0.74 -3.07 116.25 110.15 2bbn h VAL 91 Ca -0.02 -0.15 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2bbn h VAL 91 Cb 0.35 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2bbn h VAL 91 CO 0.03 0.00 -0.01 -0.26 -1.23 0.00 0.00 177.57 176.10 2bbn h PHE 92 N 0.00 -0.02 -2.84 5.19 0.04 -1.03 -3.43 116.94 114.86 2bbn h PHE 92 Ca 0.00 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 2bbn h PHE 92 Cb 0.16 0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 2bbn h PHE 92 CO 0.00 -0.01 1.20 0.34 -0.60 0.00 0.00 178.31 179.23 2bbn s ASP 93 N -5.26 6.10 0.08 2.17 2.15 -0.78 -4.78 116.67 116.35 2bbn s ASP 93 Ca -0.00 1.26 -0.36 0.00 0.43 0.00 0.00 52.55 53.87 2bbn s ASP 93 Cb 0.00 -2.53 -0.18 0.00 -0.30 0.00 0.00 42.92 39.91 2bbn s ASP 93 CO 0.01 -1.55 1.57 0.50 -0.17 0.00 0.00 175.17 175.53 2bbn h LYS 94 N 11.90 -1.06 0.00 4.34 3.64 -1.83 -3.43 116.57 130.12 2bbn h LYS 94 Ca -0.32 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2bbn h LYS 94 Cb 1.15 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2bbn h LYS 94 CO 1.04 -0.71 0.00 -0.25 -2.27 0.00 0.00 179.45 177.26 2bbn n ASP 95 N -5.60 0.00 -1.26 4.20 8.00 -1.26 -4.98 116.55 115.65 2bbn n ASP 95 Ca -0.13 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.39 2bbn n ASP 95 Cb 0.48 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.59 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 96 N 1.00 0.87 0.10 0.44 0.00 -1.26 -4.84 105.19 101.50 2bbn n GLY 96 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 0.72 0.00 -2.94 1.61 7.08 -1.93 -3.49 115.58 116.63 2bbn h ASN 97 Ca -0.21 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.00 2bbn h ASN 97 Cb 1.75 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 38.00 2bbn h ASN 97 CO 0.05 0.51 -0.02 0.61 -2.08 0.00 0.00 177.43 176.49 2bbn n GLY 98 N 1.36 0.81 3.62 9.14 0.00 -1.26 -5.08 105.19 113.78 2bbn n GLY 98 Ca -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.01 -1.25 0.00 1.61 0.08 -1.26 -4.74 117.98 109.42 2bbn s PHE 99 Ca 0.01 2.18 -0.30 0.00 0.12 0.00 0.00 56.93 58.94 2bbn s PHE 99 Cb -0.00 0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 43.15 2bbn s PHE 99 CO 0.02 -0.62 1.23 0.42 -0.10 0.00 0.00 175.22 176.17 2bbn s ILE 100 N 2.74 4.08 0.00 0.64 1.01 -1.04 -4.95 121.20 123.69 2bbn s ILE 100 Ca -0.06 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.05 2bbn s ILE 100 Cb -0.11 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2bbn s ILE 100 CO -0.19 0.05 0.00 -1.54 0.00 0.00 0.00 174.94 173.26 2bbn n SER 101 N 4.68 1.38 0.00 3.58 3.41 -1.26 -3.30 113.62 122.11 2bbn n SER 101 Ca 0.10 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 2bbn n SER 101 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2bbn n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bbn n ALA 102 N -3.00 -0.10 -0.32 7.33 0.00 -1.26 -3.14 120.51 120.02 2bbn n ALA 102 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2bbn n ALA 102 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 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 1.64 -3.00 0.00 0.00 -1.99 0.66 119.26 114.58 2bbn h ALA 103 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2bbn h ALA 103 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2bbn h ALA 103 CO 0.00 -0.49 0.00 0.39 0.00 0.00 0.00 179.25 179.15 2bbn n GLU 104 N -5.11 0.00 -0.21 0.00 4.71 -1.25 -2.69 120.64 116.08 2bbn n GLU 104 Ca 0.27 0.13 0.29 0.00 -0.01 0.00 0.00 57.16 57.83 2bbn n GLU 104 Cb 0.82 -0.90 0.70 0.00 -1.01 0.00 0.00 31.44 31.05 2bbn n GLU 104 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2bbn h LEU 105 N 0.00 0.06 -0.17 -4.62 5.85 -1.46 -2.27 115.31 112.69 2bbn h LEU 105 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2bbn h LEU 105 Cb 0.00 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2bbn h LEU 105 CO 0.00 0.02 -0.42 0.03 -0.34 0.00 0.00 178.44 177.73 2bbn h ARG 106 N 0.06 -0.38 -0.00 1.25 2.47 -0.65 1.06 114.38 118.18 2bbn h ARG 106 Ca 0.46 0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 59.12 2bbn h ARG 106 Cb 1.74 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 30.13 2bbn h ARG 106 CO -0.04 -0.25 -0.43 1.25 0.56 0.00 0.00 179.97 181.05 2bbn h HIS 107 N -0.40 0.00 0.00 3.04 2.76 -1.22 0.31 115.15 119.65 2bbn h HIS 107 Ca 0.03 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2bbn h HIS 107 Cb 0.49 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.45 2bbn h HIS 107 CO -0.60 0.44 -0.11 -0.24 -1.30 0.00 0.00 177.93 176.11 2bbn h VAL 108 N 0.00 0.22 0.00 5.26 3.04 -0.92 -2.46 116.25 121.40 2bbn h VAL 108 Ca -0.00 -1.09 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 2bbn h VAL 108 Cb 0.77 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 2bbn h VAL 108 CO 0.06 0.11 -1.09 0.80 -1.01 0.00 0.00 177.57 176.44 2bbn n MET 109 N -3.16 1.55 0.04 4.17 0.00 0.35 -4.15 117.12 115.93 2bbn n MET 109 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2bbn n MET 109 Cb 0.49 -1.24 -0.08 0.00 0.00 0.00 0.00 33.22 32.40 2bbn n MET 109 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2bbn h THR 110 N 0.00 0.51 -0.14 1.12 2.02 -0.37 -3.32 112.91 112.72 2bbn h THR 110 Ca 0.00 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 65.19 2bbn h THR 110 Cb 0.47 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2bbn h THR 110 CO 0.00 0.29 0.00 -3.20 0.37 0.00 0.00 175.52 172.98 2bbn n ASN 111 N -2.90 2.61 0.00 4.18 2.85 -0.93 -4.74 115.26 116.33 2bbn n ASN 111 Ca -0.09 -1.85 0.00 0.00 -0.11 0.00 0.00 54.58 52.53 2bbn n ASN 111 Cb 0.83 -0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.77 2bbn n ASN 111 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2bbn n LEU 112 N 0.99 0.00 0.00 1.20 7.94 -1.25 -5.03 117.00 120.85 2bbn n LEU 112 Ca 0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 2bbn n LEU 112 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2bbn n LEU 112 CO 0.15 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.04 2bbn n GLY 113 N 3.95 -0.13 3.76 -3.96 0.00 -1.26 -4.95 105.19 102.59 2bbn n GLY 113 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.03 4.12 -0.88 1.61 0.41 -1.26 -4.93 118.70 117.73 2bbn s GLU 114 Ca 0.00 2.58 0.01 0.00 -0.41 0.00 0.00 54.97 57.15 2bbn s GLU 114 Cb 0.00 -3.01 0.30 0.00 -1.78 0.00 0.00 34.13 29.64 2bbn s GLU 114 CO 0.00 -0.61 1.29 0.36 -0.49 0.00 0.00 175.26 175.81 2bbn n LYS 115 N 1.70 4.01 0.00 1.61 2.85 -1.26 -4.71 118.16 122.35 2bbn n LYS 115 Ca 0.06 -4.66 0.00 0.00 -1.05 0.00 0.00 58.31 52.66 2bbn n LYS 115 Cb 0.38 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 32.36 2bbn n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2bbn n LEU 116 N 0.66 0.00 0.00 -5.58 4.32 -1.26 -5.05 117.00 110.09 2bbn n LEU 116 Ca 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 2bbn n LEU 116 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2bbn n LEU 116 CO 0.54 -0.10 0.00 0.35 -1.22 0.00 0.00 177.39 176.96 2bbn n THR 117 N -0.20 0.00 0.00 -5.08 -2.24 -1.26 -5.08 114.28 100.42 2bbn n THR 117 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2bbn n THR 117 Cb 0.00 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.02 0.00 0.05 3.42 -0.08 -1.26 -4.93 116.55 113.74 2bbn n ASP 118 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 2bbn n ASP 118 Cb 0.00 0.00 0.44 0.00 2.34 0.00 0.00 41.12 43.90 2bbn n ASP 118 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2bbn h GLU 119 N 0.00 0.42 0.52 -0.67 4.11 -1.99 -2.23 114.58 114.74 2bbn h GLU 119 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2bbn h GLU 119 Cb 0.00 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.17 2bbn h GLU 119 CO 0.00 0.32 -0.25 0.93 0.07 0.00 0.00 179.01 180.08 2bbn h GLU 120 N 0.43 -0.67 0.74 1.06 4.39 -1.99 -0.63 114.58 117.90 2bbn h GLU 120 Ca 0.11 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 2bbn h GLU 120 Cb 0.03 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2bbn h GLU 120 CO -0.02 -0.45 -0.43 0.28 -1.16 0.00 0.00 179.01 177.24 2bbn h VAL 121 N -0.71 0.13 -0.89 3.13 2.07 -1.88 0.67 116.25 118.77 2bbn h VAL 121 Ca -0.07 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.69 2bbn h VAL 121 Cb 0.54 0.13 -0.14 0.00 -1.52 0.00 0.00 31.29 30.30 2bbn h VAL 121 CO 0.12 0.00 0.29 0.44 0.02 0.00 0.00 177.57 178.44 2bbn h ASP 122 N -1.09 0.11 -0.55 0.57 3.32 -1.41 0.53 116.42 117.89 2bbn h ASP 122 Ca -0.10 0.19 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 2bbn h ASP 122 Cb 0.87 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 2bbn h ASP 122 CO 0.11 -0.12 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.40 2bbn h GLU 123 N 0.25 1.01 0.46 3.56 4.57 -0.64 -1.97 114.58 121.82 2bbn h GLU 123 Ca 0.57 -0.33 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 2bbn h GLU 123 Cb 1.15 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2bbn h GLU 123 CO -0.62 1.01 -0.22 0.52 -1.18 0.00 0.00 179.01 178.51 2bbn h MET 124 N 0.92 -0.59 -0.79 1.92 2.86 0.23 0.50 114.93 119.98 2bbn h MET 124 Ca 0.16 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.94 2bbn h MET 124 Cb 0.57 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.29 2bbn h MET 124 CO 0.03 -0.32 0.43 0.82 1.06 0.00 0.00 176.91 178.93 2bbn h ILE 125 N -0.79 0.87 0.37 -1.22 2.04 -0.91 -0.08 117.51 117.80 2bbn h ILE 125 Ca -0.06 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2bbn h ILE 125 Cb 0.55 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2bbn h ILE 125 CO 0.10 0.13 -0.18 0.03 0.00 0.00 0.00 178.15 178.23 2bbn h ARG 126 N 0.71 -0.48 0.00 2.37 3.08 -1.22 -1.30 114.38 117.54 2bbn h ARG 126 Ca 0.39 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.47 2bbn h ARG 126 Cb 0.40 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2bbn h ARG 126 CO -0.27 -0.21 0.00 -1.91 -1.07 0.00 0.00 179.97 176.52 2bbn n GLU 127 N -5.22 0.32 -0.10 0.04 2.13 0.15 -3.06 120.64 114.91 2bbn n GLU 127 Ca -0.10 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.54 2bbn n GLU 127 Cb 0.26 -1.43 -0.06 0.00 0.27 0.00 0.00 31.44 30.48 2bbn n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2bbn n ALA 128 N -0.93 1.23 -1.42 4.31 0.00 -0.08 -4.99 120.51 118.63 2bbn n ALA 128 Ca 0.07 -0.87 -0.40 0.00 0.00 0.00 0.00 53.44 52.24 2bbn n ALA 128 Cb 0.03 0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.61 2bbn n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bbn n ASP 129 N -4.25 -1.50 -0.12 0.00 -0.08 -0.55 -4.94 116.55 105.11 2bbn n ASP 129 Ca -0.31 0.81 -0.24 0.00 -1.51 0.00 0.00 54.79 53.55 2bbn n ASP 129 Cb 0.65 -1.08 -0.08 0.00 2.34 0.00 0.00 41.12 42.96 2bbn n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2bbn n ILE 130 N -1.24 1.48 0.51 5.18 5.41 -1.26 -4.30 119.36 125.14 2bbn n ILE 130 Ca 0.11 -0.24 0.03 0.00 1.00 0.00 0.00 62.75 63.65 2bbn n ILE 130 Cb 0.43 -1.99 0.15 0.00 -0.71 0.00 0.00 39.64 37.52 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 -4.26 0.00 0.00 4.38 9.92 -1.26 -4.73 116.55 120.59 2bbn n ASP 131 Ca -0.43 -0.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.48 2bbn n ASP 131 Cb 0.78 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.26 2bbn n ASP 131 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 132 N -0.40 0.19 0.38 0.44 0.00 -1.26 -4.83 105.19 99.71 2bbn n GLY 132 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 2bbn n GLY 132 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2bbn h ASP 133 N 0.00 -1.53 0.00 1.61 3.58 -1.91 -3.46 116.42 114.70 2bbn h ASP 133 Ca 0.00 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2bbn h ASP 133 Cb 0.11 0.62 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2bbn h ASP 133 CO 0.00 -0.34 0.00 0.61 -2.88 0.00 0.00 179.24 176.63 2bbn n GLY 134 N -1.31 3.63 3.77 -0.78 0.00 -1.26 -5.13 105.19 104.11 2bbn n GLY 134 Ca -0.03 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 2.79 -0.12 1.61 -0.21 -1.26 -4.58 119.66 117.89 2bbn s GLN 135 Ca 0.00 -0.95 -0.08 0.00 0.02 0.00 0.00 55.36 54.35 2bbn s GLN 135 Cb 0.00 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 2bbn s GLN 135 CO 0.00 0.47 0.17 0.08 -2.12 0.00 0.00 175.29 173.88 2bbn s VAL 136 N -1.80 5.45 0.07 1.09 1.01 -1.21 -4.84 120.40 120.17 2bbn s VAL 136 Ca 0.30 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.56 2bbn s VAL 136 Cb -0.10 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2bbn s VAL 136 CO 0.22 0.59 0.05 -3.20 0.00 0.00 0.00 175.10 172.77 2bbn n ASN 137 N 2.16 1.22 0.23 3.32 5.15 -1.26 -2.50 115.26 123.57 2bbn n ASN 137 Ca -0.19 -1.24 -0.15 0.00 -0.60 0.00 0.00 54.58 52.41 2bbn n ASN 137 Cb 0.54 -0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.71 2bbn n ASN 137 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2bbn h TYR 138 N 0.52 -0.52 0.00 1.20 -1.99 -1.99 -3.07 116.97 111.13 2bbn h TYR 138 Ca -0.04 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.67 2bbn h TYR 138 Cb 0.16 0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.06 2bbn h TYR 138 CO 0.00 -0.23 0.00 0.39 -0.00 0.00 0.00 178.16 178.32 2bbn n GLU 139 N -5.26 0.00 0.20 4.88 -0.58 -1.26 0.19 120.64 118.81 2bbn n GLU 139 Ca -0.11 0.85 0.04 0.00 -0.42 0.00 0.00 57.16 57.52 2bbn n GLU 139 Cb 0.28 -1.49 0.21 0.00 -0.57 0.00 0.00 31.44 29.86 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 0.00 0.16 3.49 5.08 -1.98 0.63 114.58 121.96 2bbn h GLU 140 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 2bbn h GLU 140 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bbn h GLU 140 CO 0.00 0.00 -1.87 0.35 -1.00 0.00 0.00 179.01 176.49 2bbn h PHE 141 N 0.00 0.60 -0.00 4.33 3.04 -0.15 -2.55 116.94 122.20 2bbn h PHE 141 Ca 0.00 -0.44 0.00 0.00 3.98 0.00 0.00 57.97 61.51 2bbn h PHE 141 Cb 1.15 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.64 2bbn h PHE 141 CO 0.00 1.73 -0.09 0.28 -2.02 0.00 0.00 178.31 178.21 2bbn n VAL 142 N -3.53 0.00 -0.10 1.41 0.31 0.20 -2.58 118.33 114.04 2bbn n VAL 142 Ca -0.28 -0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 63.82 2bbn n VAL 142 Cb 1.06 -0.26 -0.12 0.00 -0.91 0.00 0.00 33.84 33.61 2bbn n VAL 142 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2bbn n THR 143 N -1.21 1.57 -0.02 2.52 -1.04 -0.21 -3.21 114.28 112.68 2bbn n THR 143 Ca 0.12 -0.55 -0.13 0.00 -2.04 0.00 0.00 64.05 61.45 2bbn n THR 143 Cb 0.28 -1.57 -0.09 0.00 -1.82 0.00 0.00 70.33 67.13 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 -0.13 0.10 -0.38 -2.82 1.85 -1.50 -3.15 114.93 108.89 2bbn h MET 144 Ca -0.55 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 58.40 2bbn h MET 144 Cb 1.88 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.89 2bbn h MET 144 CO -0.09 0.50 -0.18 0.52 -0.40 0.00 0.00 176.91 177.26 2bbn h MET 145 N -0.31 0.72 -4.56 0.39 2.07 -1.72 -3.41 114.93 108.10 2bbn h MET 145 Ca 0.01 -0.26 -0.58 0.00 -2.07 0.00 0.00 59.70 56.80 2bbn h MET 145 Cb 0.47 -0.05 -0.36 0.00 -1.87 0.00 0.00 31.60 29.79 2bbn h MET 145 CO 0.01 0.85 -0.83 0.95 1.07 0.00 0.00 176.91 178.96 2bbn s THR 146 N -4.66 1.41 0.00 2.22 -4.23 -1.19 -4.90 115.64 104.29 2bbn s THR 146 Ca -0.09 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2bbn s THR 146 Cb 0.13 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.63 2bbn s THR 146 CO 0.82 0.43 0.00 -1.54 -0.54 0.00 0.00 174.62 173.79 2bbn n SER 147 N 4.72 0.00 0.00 3.99 3.41 -1.23 -3.94 113.62 120.57 2bbn n SER 147 Ca -0.16 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.52 2bbn n SER 147 Cb 0.50 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.90 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17