#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 4.66 -0.01 0.00 8.00 -1.26 -4.23 116.55 123.70 2bbn n ASP 2 Ca 0.00 -2.29 -0.17 0.00 0.71 0.00 0.00 54.79 53.04 2bbn n ASP 2 Cb 0.00 -1.11 -0.10 0.00 -0.02 0.00 0.00 41.12 39.90 2bbn n ASP 2 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2bbn h GLN 3 N 2.25 0.49 0.00 -1.24 4.20 -2.07 -3.03 115.11 115.71 2bbn h GLN 3 Ca 0.07 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2bbn h GLN 3 Cb 1.08 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2bbn h GLN 3 CO 0.12 1.10 0.00 -0.07 -0.67 0.00 0.00 178.83 179.30 2bbn h LEU 4 N 0.05 0.00 -9.39 1.46 4.07 -2.10 -3.42 115.31 105.98 2bbn h LEU 4 Ca -0.06 0.00 -0.64 0.00 0.08 0.00 0.00 57.88 57.26 2bbn h LEU 4 Cb 1.27 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.90 2bbn h LEU 4 CO 0.12 0.00 -0.51 0.42 -1.08 0.00 0.00 178.44 177.39 2bbn s THR 5 N -3.41 5.25 -0.31 0.22 -4.23 -1.15 -4.98 115.64 107.04 2bbn s THR 5 Ca 0.02 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 2bbn s THR 5 Cb 0.09 -3.33 0.45 0.00 1.34 0.00 0.00 72.50 71.04 2bbn s THR 5 CO 0.36 0.53 1.58 -0.62 -0.54 0.00 0.00 174.62 175.93 2bbn n GLU 6 N 2.81 1.94 0.14 3.99 -0.58 -1.26 -4.48 120.64 123.19 2bbn n GLU 6 Ca -0.18 -1.98 -0.14 0.00 -0.42 0.00 0.00 57.16 54.44 2bbn n GLU 6 Cb 0.53 -1.79 -0.08 0.00 -0.57 0.00 0.00 31.44 29.53 2bbn n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2bbn h GLU 7 N 0.79 -0.29 0.08 3.49 4.39 -1.94 0.33 114.58 121.43 2bbn h GLU 7 Ca 0.39 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.11 2bbn h GLU 7 Cb 2.18 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.90 2bbn h GLU 7 CO 0.70 -0.10 -0.04 0.37 -1.16 0.00 0.00 179.01 178.78 2bbn h GLN 8 N -0.42 -0.11 -1.00 2.33 4.15 -1.90 -2.46 115.11 115.70 2bbn h GLN 8 Ca -0.03 0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.60 2bbn h GLN 8 Cb 0.32 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 27.93 2bbn h GLN 8 CO 0.05 0.40 0.61 0.82 -1.93 0.00 0.00 178.83 178.78 2bbn h ILE 9 N -0.69 0.66 -0.43 2.39 2.04 -1.84 0.42 117.51 120.05 2bbn h ILE 9 Ca -0.01 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 2bbn h ILE 9 Cb 0.55 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2bbn h ILE 9 CO 0.02 0.13 0.11 0.00 0.00 0.00 0.00 178.15 178.41 2bbn h ALA 10 N 1.66 0.57 -0.63 1.87 0.00 -0.27 -0.74 119.26 121.72 2bbn h ALA 10 Ca 0.59 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.44 2bbn h ALA 10 Cb 1.02 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 2bbn h ALA 10 CO -0.39 0.25 0.10 0.93 0.00 0.00 0.00 179.25 180.14 2bbn h GLU 11 N 0.57 0.21 0.00 0.00 5.08 -0.42 0.27 114.58 120.28 2bbn h GLU 11 Ca 0.14 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 2bbn h GLU 11 Cb 0.31 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2bbn h GLU 11 CO 0.00 0.14 -0.41 0.74 -1.00 0.00 0.00 179.01 178.48 2bbn h PHE 12 N 0.21 0.00 0.40 4.33 0.04 -1.33 -2.75 116.94 117.84 2bbn h PHE 12 Ca 0.34 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.09 2bbn h PHE 12 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2bbn h PHE 12 CO -0.29 0.41 -0.19 -0.22 -0.60 0.00 0.00 178.31 177.42 2bbn h LYS 13 N 0.00 -0.52 -0.62 1.51 3.64 0.94 -2.53 116.57 118.99 2bbn h LYS 13 Ca -0.00 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2bbn h LYS 13 Cb 1.11 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 2bbn h LYS 13 CO 0.05 -0.21 0.32 1.05 -2.27 0.00 0.00 179.45 178.39 2bbn h GLU 14 N -0.98 0.85 -0.96 1.90 4.11 -0.87 0.10 114.58 118.74 2bbn h GLU 14 Ca -0.06 -0.10 0.06 0.00 0.07 0.00 0.00 59.36 59.33 2bbn h GLU 14 Cb 0.54 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2bbn h GLU 14 CO 0.09 0.64 0.62 0.00 0.07 0.00 0.00 179.01 180.43 2bbn h ALA 15 N 1.49 1.32 0.08 1.06 0.00 -1.49 -1.58 119.26 120.14 2bbn h ALA 15 Ca 0.22 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.89 2bbn h ALA 15 Cb 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.56 2bbn h ALA 15 CO -0.03 0.43 -0.86 0.74 0.00 0.00 0.00 179.25 179.53 2bbn h PHE 16 N 1.15 0.72 -0.05 0.00 -1.00 -0.90 -0.76 116.94 116.09 2bbn h PHE 16 Ca 0.41 -0.45 0.02 0.00 2.81 0.00 0.00 57.97 60.76 2bbn h PHE 16 Cb 0.12 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 2bbn h PHE 16 CO -0.01 1.30 0.28 1.03 -1.61 0.00 0.00 178.31 179.30 2bbn h SER 17 N -0.05 0.00 0.00 2.17 0.87 -0.41 0.08 113.55 116.20 2bbn h SER 17 Ca -0.13 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.14 2bbn h SER 17 Cb 1.59 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.51 2bbn h SER 17 CO 0.17 0.00 -1.74 -0.11 -0.53 0.00 0.00 176.83 174.61 2bbn n LEU 18 N -3.07 1.91 0.09 2.23 7.94 -0.63 -4.67 117.00 120.80 2bbn n LEU 18 Ca -0.01 0.39 -0.04 0.00 -1.11 0.00 0.00 56.01 55.25 2bbn n LEU 18 Cb 0.35 -0.87 -0.02 0.00 0.53 0.00 0.00 43.42 43.42 2bbn n LEU 18 CO 0.17 0.28 0.51 0.15 -1.11 0.00 0.00 177.39 177.38 2bbn h PHE 19 N -1.00 -0.22 -2.39 1.96 3.04 -0.52 -3.39 116.94 114.43 2bbn h PHE 19 Ca -0.44 -0.00 -0.58 0.00 3.98 0.00 0.00 57.97 60.93 2bbn h PHE 19 Cb 1.34 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.90 2bbn h PHE 19 CO -0.08 -0.13 1.36 0.34 -2.02 0.00 0.00 178.31 177.78 2bbn s ASP 20 N -2.35 5.69 0.00 0.41 2.15 -0.04 -4.81 116.67 117.72 2bbn s ASP 20 Ca -0.03 1.50 0.30 0.00 0.43 0.00 0.00 52.55 54.75 2bbn s ASP 20 Cb 0.00 -2.52 1.52 0.00 -0.30 0.00 0.00 42.92 41.63 2bbn s ASP 20 CO 0.10 -1.84 2.02 0.29 -0.17 0.00 0.00 175.17 175.58 2bbn n LYS 21 N 8.57 1.01 0.00 4.34 5.02 -1.26 -4.58 118.16 131.26 2bbn n LYS 21 Ca 0.26 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2bbn n LYS 21 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bbn n ASP 22 N -0.76 0.00 0.00 4.39 9.92 -1.26 -5.04 116.55 123.79 2bbn n ASP 22 Ca 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 2bbn n ASP 22 Cb 0.21 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 2bbn n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 23 N 3.96 0.00 0.00 0.44 0.00 -1.26 -4.98 105.19 103.35 2bbn n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bbn n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bbn n ASP 24 N 0.00 2.31 -2.38 1.61 5.68 -1.26 -5.04 116.55 117.46 2bbn n ASP 24 Ca 0.00 -0.27 -0.08 0.00 -0.50 0.00 0.00 54.79 53.95 2bbn n ASP 24 Cb 0.00 1.00 0.04 0.00 -1.14 0.00 0.00 41.12 41.01 2bbn n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbn n GLY 25 N 1.69 -0.14 3.12 6.12 0.00 -1.26 -4.96 105.19 109.77 2bbn n GLY 25 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2bbn n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbn s THR 26 N -3.20 -0.21 -0.19 2.61 -4.23 -1.26 -4.52 115.64 104.64 2bbn s THR 26 Ca 0.22 0.17 -0.27 0.00 -1.18 0.00 0.00 61.69 60.63 2bbn s THR 26 Cb -0.03 -0.49 -0.01 0.00 1.34 0.00 0.00 72.50 73.31 2bbn s THR 26 CO 0.38 0.07 0.92 -0.63 -0.54 0.00 0.00 174.62 174.82 2bbn s ILE 27 N 1.77 4.80 0.22 2.99 1.01 -1.21 -4.78 121.20 126.00 2bbn s ILE 27 Ca -0.06 1.80 0.01 0.00 0.00 0.00 0.00 60.65 62.40 2bbn s ILE 27 Cb -0.10 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 2bbn s ILE 27 CO -0.10 -0.06 0.06 -0.89 0.00 0.00 0.00 174.94 173.95 2bbn s THR 28 N 2.57 0.57 0.24 2.92 2.01 -1.26 -2.23 115.64 120.47 2bbn s THR 28 Ca 0.41 -1.99 0.18 0.00 0.31 0.00 0.00 61.69 60.59 2bbn s THR 28 Cb -0.16 -2.43 0.18 0.00 0.01 0.00 0.00 72.50 70.10 2bbn s THR 28 CO 0.10 -0.19 1.48 0.71 -0.69 0.00 0.00 174.62 176.03 2bbn h THR 29 N 2.52 0.00 0.05 -0.82 1.35 -1.91 0.26 112.91 114.36 2bbn h THR 29 Ca -0.37 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2bbn h THR 29 Cb 1.23 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2bbn h THR 29 CO 0.61 0.00 -0.02 0.50 -0.25 0.00 0.00 175.52 176.36 2bbn h LYS 30 N 0.00 -0.07 0.00 4.72 3.64 -1.97 0.70 116.57 123.60 2bbn h LYS 30 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2bbn h LYS 30 Cb 0.68 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2bbn h LYS 30 CO 0.00 -0.04 -0.22 0.93 -2.27 0.00 0.00 179.45 177.84 2bbn h GLU 31 N -0.56 0.00 0.01 1.90 5.08 -1.76 -2.79 114.58 116.46 2bbn h GLU 31 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2bbn h GLU 31 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2bbn h GLU 31 CO 0.01 0.22 -0.38 1.25 -1.00 0.00 0.00 179.01 179.11 2bbn h LEU 32 N 0.00 0.03 -0.87 1.33 6.46 -0.63 -2.81 115.31 118.82 2bbn h LEU 32 Ca -0.00 -0.88 0.22 0.00 -0.12 0.00 0.00 57.88 57.10 2bbn h LEU 32 Cb 0.41 -0.01 -0.15 0.00 -0.73 0.00 0.00 40.66 40.17 2bbn h LEU 32 CO 0.03 1.15 0.07 1.23 -0.62 0.00 0.00 178.44 180.30 2bbn h GLY 33 N -0.94 1.11 0.76 3.75 0.00 0.56 1.03 103.07 109.34 2bbn h GLY 33 Ca -0.10 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 2bbn h GLY 33 CO -0.04 -0.39 -0.24 0.00 0.00 0.00 0.00 176.54 175.86 2bbn h THR 34 N 0.09 1.37 0.40 4.70 1.03 -1.62 -2.52 112.91 116.36 2bbn h THR 34 Ca 0.51 -1.50 -0.02 0.00 -0.01 0.00 0.00 66.41 65.40 2bbn h THR 34 Cb 1.00 2.01 0.00 0.00 -1.07 0.00 0.00 68.15 70.09 2bbn h THR 34 CO -0.76 0.44 -0.19 0.58 -0.01 0.00 0.00 175.52 175.58 2bbn h VAL 35 N 0.01 0.00 -0.91 0.00 2.07 -0.51 -2.64 116.25 114.27 2bbn h VAL 35 Ca 0.01 -0.20 0.25 0.00 0.82 0.00 0.00 66.70 67.57 2bbn h VAL 35 Cb 0.83 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.44 2bbn h VAL 35 CO 0.06 0.00 0.11 0.24 0.02 0.00 0.00 177.57 178.00 2bbn h MET 36 N -0.74 0.09 -0.64 1.57 2.86 0.82 0.81 114.93 119.70 2bbn h MET 36 Ca -0.05 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.67 2bbn h MET 36 Cb 0.41 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.98 2bbn h MET 36 CO 0.09 0.06 0.28 0.00 1.06 0.00 0.00 176.91 178.39 2bbn h ARG 37 N 0.09 0.47 -0.63 1.72 3.08 -1.44 0.74 114.38 118.42 2bbn h ARG 37 Ca 0.56 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.58 2bbn h ARG 37 Cb 1.15 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2bbn h ARG 37 CO -0.79 0.31 0.00 0.43 -1.07 0.00 0.00 179.97 178.86 2bbn n SER 38 N -4.94 0.63 0.00 7.04 7.64 0.28 -1.21 113.62 123.06 2bbn n SER 38 Ca 0.09 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.98 2bbn n SER 38 Cb 0.26 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2bbn n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2bbn n LEU 39 N -0.18 0.00 0.00 -3.43 4.77 0.20 -4.94 117.00 113.41 2bbn n LEU 39 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2bbn n LEU 39 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2bbn n LEU 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2bbn n GLY 40 N 0.69 0.00 7.00 -0.72 0.00 0.19 -5.05 105.19 107.30 2bbn n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -3.64 1.61 -0.06 -0.35 -4.89 117.38 110.06 2bbn n GLN 41 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.93 2bbn n GLN 41 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 2bbn n GLN 41 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2bbn s ASN 42 N -4.00 -0.35 0.00 1.69 2.20 -1.26 -4.05 114.94 109.17 2bbn s ASN 42 Ca 0.00 0.67 0.00 0.00 -0.94 0.00 0.00 52.86 52.59 2bbn s ASN 42 Cb 0.00 0.71 0.00 0.00 -2.00 0.00 0.00 41.25 39.96 2bbn s ASN 42 CO 0.00 -0.12 0.67 -0.81 -2.94 0.00 0.00 177.10 173.90 2bbn n PRO 43 N 2.14 0.00 -4.24 3.55 -0.04 -1.26 -4.97 135.00 130.19 2bbn n PRO 43 Ca -0.12 0.18 -0.18 0.00 -0.04 0.00 0.00 63.50 63.34 2bbn n PRO 43 Cb 0.56 -1.17 -0.08 0.00 -0.04 0.00 0.00 33.50 32.77 2bbn n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bbn s THR 44 N -1.70 0.00 -0.13 0.52 -4.23 -1.26 -5.08 115.64 103.77 2bbn s THR 44 Ca 0.00 -1.93 -0.26 0.00 -1.18 0.00 0.00 61.69 58.32 2bbn s THR 44 Cb 0.00 -2.52 -0.27 0.00 1.34 0.00 0.00 72.50 71.05 2bbn s THR 44 CO 0.00 0.00 0.74 -0.33 -0.54 0.00 0.00 174.62 174.49 2bbn h GLU 45 N 2.18 0.07 -0.94 3.99 3.07 -2.01 -3.27 114.58 117.67 2bbn h GLU 45 Ca -0.27 -0.12 0.27 0.00 -0.50 0.00 0.00 59.36 58.75 2bbn h GLU 45 Cb 1.23 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.15 2bbn h GLU 45 CO 0.38 1.06 1.01 0.00 -1.40 0.00 0.00 179.01 180.06 2bbn h ALA 46 N -0.03 2.82 0.05 3.43 0.00 -1.99 0.81 119.26 124.35 2bbn h ALA 46 Ca -0.07 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 2bbn h ALA 46 Cb 1.19 0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.07 2bbn h ALA 46 CO 0.02 -1.49 -0.85 0.93 0.00 0.00 0.00 179.25 177.85 2bbn h GLU 47 N 0.00 0.49 -0.45 0.00 3.07 -1.99 -2.61 114.58 113.09 2bbn h GLU 47 Ca 0.45 -0.59 -0.08 0.00 -0.50 0.00 0.00 59.36 58.64 2bbn h GLU 47 Cb 2.45 0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 30.53 2bbn h GLU 47 CO -0.00 1.23 -0.03 -0.07 -1.40 0.00 0.00 179.01 178.74 2bbn h LEU 48 N 0.02 0.80 -0.16 1.33 4.07 0.52 -1.97 115.31 119.92 2bbn h LEU 48 Ca -0.12 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.51 2bbn h LEU 48 Cb 1.56 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 43.08 2bbn h LEU 48 CO 0.17 0.93 0.06 -0.61 -1.08 0.00 0.00 178.44 177.91 2bbn h GLN 49 N 0.65 0.25 -0.60 1.13 4.15 -1.36 -2.42 115.11 116.92 2bbn h GLN 49 Ca 0.12 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.53 2bbn h GLN 49 Cb 0.54 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 2bbn h GLN 49 CO 0.03 0.34 0.36 0.22 -1.93 0.00 0.00 178.83 177.85 2bbn h ASP 50 N 0.10 0.57 -0.61 -0.69 3.58 -1.42 -0.84 116.42 117.12 2bbn h ASP 50 Ca 0.05 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.60 2bbn h ASP 50 Cb 0.19 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 2bbn h ASP 50 CO -0.00 0.40 0.41 -0.03 -2.88 0.00 0.00 179.24 177.13 2bbn h MET 51 N 0.70 0.44 -0.04 0.28 4.05 -1.16 0.08 114.93 119.28 2bbn h MET 51 Ca 0.24 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.49 2bbn h MET 51 Cb 0.04 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 2bbn h MET 51 CO -0.11 0.29 -0.63 0.82 0.23 0.00 0.00 176.91 177.50 2bbn h ILE 52 N 0.45 1.42 0.00 1.77 2.04 -0.67 -2.93 117.51 119.58 2bbn h ILE 52 Ca 0.28 -2.09 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 2bbn h ILE 52 Cb 0.50 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2bbn h ILE 52 CO -0.08 0.61 -0.29 -1.13 0.00 0.00 0.00 178.15 177.26 2bbn h ASN 53 N 0.11 0.00 -0.01 1.72 -1.24 -0.36 0.21 115.58 116.02 2bbn h ASN 53 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2bbn h ASN 53 Cb 1.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.19 2bbn h ASN 53 CO 0.09 0.29 0.00 1.21 -1.29 0.00 0.00 177.43 177.73 2bbn n GLU 54 N -3.36 1.10 0.00 6.67 2.13 -0.78 -3.79 120.64 122.61 2bbn n GLU 54 Ca 0.01 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.68 2bbn n GLU 54 Cb 0.50 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.75 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 -0.79 0.00 -3.28 6.31 3.14 -1.03 -5.00 118.33 117.68 2bbn n VAL 55 Ca 0.22 -0.03 -0.46 0.00 -2.96 0.00 0.00 64.34 61.11 2bbn n VAL 55 Cb 0.14 0.77 -0.04 0.00 -1.06 0.00 0.00 33.84 33.65 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 -0.09 6.36 0.21 6.55 -1.08 0.73 -4.86 116.67 124.48 2bbn s ASP 56 Ca 0.00 -2.01 0.18 0.00 -0.52 0.00 0.00 52.55 50.20 2bbn s ASP 56 Cb 0.00 -2.22 0.01 0.00 -1.46 0.00 0.00 42.92 39.25 2bbn s ASP 56 CO 0.00 -0.81 1.17 0.00 0.52 0.00 0.00 175.17 176.05 2bbn h ALA 57 N 8.62 0.67 -0.23 3.66 0.00 -1.87 -3.38 119.26 126.72 2bbn h ALA 57 Ca -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2bbn h ALA 57 Cb 1.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2bbn h ALA 57 CO 0.97 0.55 0.00 -0.25 0.00 0.00 0.00 179.25 180.52 2bbn n ASP 58 N -3.00 0.00 0.00 0.00 8.00 -1.26 -4.98 116.55 115.31 2bbn n ASP 58 Ca -0.02 0.96 0.00 0.00 0.71 0.00 0.00 54.79 56.44 2bbn n ASP 58 Cb 0.72 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 2bbn n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 59 N -0.96 2.36 0.34 0.44 0.00 -1.26 -4.94 105.19 101.16 2bbn n GLY 59 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 0.26 0.00 -2.08 1.61 7.08 -1.93 -3.43 115.58 117.09 2bbn h ASN 60 Ca 0.00 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.03 2bbn h ASN 60 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.26 2bbn h ASN 60 CO 0.00 0.00 -0.27 0.61 -2.08 0.00 0.00 177.43 175.69 2bbn n GLY 61 N -1.41 0.08 3.53 9.14 0.00 -1.26 -5.01 105.19 110.26 2bbn n GLY 61 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.74 0.00 -1.01 2.61 -4.23 -1.26 -4.85 115.64 104.16 2bbn s THR 62 Ca 0.10 -1.51 -0.19 0.00 -1.18 0.00 0.00 61.69 58.91 2bbn s THR 62 Cb -0.05 -2.28 0.11 0.00 1.34 0.00 0.00 72.50 71.63 2bbn s THR 62 CO 0.13 0.00 1.29 -0.63 -0.54 0.00 0.00 174.62 174.87 2bbn s ILE 63 N -3.98 4.51 0.00 2.99 -1.09 -0.95 -4.92 121.20 117.76 2bbn s ILE 63 Ca 0.25 -1.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.16 2bbn s ILE 63 Cb 0.01 -4.90 0.00 0.00 -1.58 0.00 0.00 42.46 35.99 2bbn s ILE 63 CO 0.10 -1.67 0.00 0.47 -1.23 0.00 0.00 174.94 172.61 2bbn n ASP 64 N 7.18 0.00 -0.08 3.58 9.92 -1.26 -3.29 116.55 132.59 2bbn n ASP 64 Ca 0.30 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.44 2bbn n ASP 64 Cb 0.49 0.00 -0.06 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 0.00 -0.10 1.24 0.04 -1.93 -3.33 116.94 112.86 2bbn h PHE 65 Ca 0.00 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 2bbn h PHE 65 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2bbn h PHE 65 CO 0.00 0.65 0.09 -1.00 -0.60 0.00 0.00 178.31 177.45 2bbn h PRO 66 N -1.00 0.00 0.00 1.51 0.13 -1.99 -2.89 132.00 127.76 2bbn h PRO 66 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2bbn h PRO 66 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2bbn h PRO 66 CO -0.09 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.07 2bbn n GLU 67 N -4.10 0.00 -0.33 0.86 1.02 -1.26 -0.85 120.64 115.97 2bbn n GLU 67 Ca -0.01 0.34 0.17 0.00 -0.02 0.00 0.00 57.16 57.65 2bbn n GLU 67 Cb 0.20 -1.28 0.33 0.00 -0.02 0.00 0.00 31.44 30.67 2bbn n GLU 67 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bbn n PHE 68 N -1.53 0.70 0.00 -0.32 -0.00 -1.17 0.12 117.46 115.25 2bbn n PHE 68 Ca 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 57.45 58.62 2bbn n PHE 68 Cb 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 39.48 38.20 2bbn n PHE 68 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2bbn n LEU 69 N -5.42 0.24 0.23 -2.13 4.77 -1.10 -2.60 117.00 110.99 2bbn n LEU 69 Ca 0.25 0.72 0.12 0.00 -0.03 0.00 0.00 56.01 57.07 2bbn n LEU 69 Cb 0.83 -0.36 0.66 0.00 -2.33 0.00 0.00 43.42 42.22 2bbn n LEU 69 CO -0.06 -0.36 0.95 0.00 -1.33 0.00 0.00 177.39 176.59 2bbn h THR 70 N 0.00 0.00 0.12 -5.08 1.03 -0.51 -1.52 112.91 106.94 2bbn h THR 70 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 2bbn h THR 70 Cb 0.00 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 67.62 2bbn h THR 70 CO 0.00 0.00 -0.06 -0.03 -0.01 0.00 0.00 175.52 175.42 2bbn h MET 71 N 0.00 -0.15 0.00 0.00 -1.53 0.97 1.80 114.93 116.02 2bbn h MET 71 Ca 0.00 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 2bbn h MET 71 Cb 0.37 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.45 2bbn h MET 71 CO 0.00 0.27 0.00 -0.12 0.14 0.00 0.00 176.91 177.20 2bbn n MET 72 N -4.94 0.22 -0.05 0.39 0.00 -0.63 -2.88 117.12 109.23 2bbn n MET 72 Ca -0.09 0.33 0.07 0.00 0.00 0.00 0.00 57.70 58.01 2bbn n MET 72 Cb 0.25 -1.84 0.10 0.00 0.00 0.00 0.00 33.22 31.73 2bbn n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2bbn n ALA 73 N -1.78 2.18 -1.00 -5.12 0.00 -0.83 -4.90 120.51 109.07 2bbn n ALA 73 Ca 0.04 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.36 2bbn n ALA 73 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.14 0.00 -3.22 0.00 0.63 0.61 -4.75 116.66 108.78 2bbn n ARG 74 Ca 0.11 0.09 -0.02 0.00 -0.92 0.00 0.00 57.85 57.12 2bbn n ARG 74 Cb 0.52 -0.63 -0.03 0.00 0.45 0.00 0.00 32.46 32.77 2bbn n ARG 74 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2bbn s LYS 75 N -0.25 0.49 -0.20 -0.14 2.47 -1.26 -5.04 119.74 115.81 2bbn s LYS 75 Ca 0.00 0.41 -0.05 0.00 -1.56 0.00 0.00 55.97 54.78 2bbn s LYS 75 Cb 0.00 0.02 -0.02 0.00 -1.46 0.00 0.00 37.83 36.36 2bbn s LYS 75 CO 0.00 -0.99 -0.00 1.41 0.16 0.00 0.00 175.35 175.93 2bbn s MET 76 N 2.70 3.61 0.00 4.03 -2.45 -1.26 -4.93 119.30 121.00 2bbn s MET 76 Ca 0.11 -0.52 0.00 0.00 -1.25 0.00 0.00 55.69 54.02 2bbn s MET 76 Cb -0.12 -3.07 0.00 0.00 1.25 0.00 0.00 34.83 32.89 2bbn s MET 76 CO -0.27 0.01 0.12 1.63 1.05 0.00 0.00 175.02 177.56 2bbn n LYS 77 N 4.24 4.90 -3.63 4.11 5.02 -1.26 -5.03 118.16 126.51 2bbn n LYS 77 Ca -0.17 -0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 55.89 2bbn n LYS 77 Cb 0.52 -0.60 -0.07 0.00 -0.02 0.00 0.00 35.03 34.85 2bbn n LYS 77 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bbn s ASP 78 N -0.73 -0.74 0.00 4.39 -1.08 -1.26 -5.15 116.67 112.10 2bbn s ASP 78 Ca 0.00 1.36 0.00 0.00 -0.52 0.00 0.00 52.55 53.39 2bbn s ASP 78 Cb 0.00 1.36 0.00 0.00 -1.46 0.00 0.00 42.92 42.82 2bbn s ASP 78 CO 0.00 -0.23 0.00 0.41 0.52 0.00 0.00 175.17 175.87 2bbn n THR 79 N 3.02 0.00 -0.48 1.71 -1.04 -1.26 -4.74 114.28 111.49 2bbn n THR 79 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2bbn n THR 79 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 2bbn n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2bbn n ASP 80 N 0.00 0.00 -2.80 8.00 8.00 -1.26 -4.80 116.55 123.70 2bbn n ASP 80 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 2bbn n ASP 80 Cb 0.00 -1.57 0.02 0.00 -0.02 0.00 0.00 41.12 39.55 2bbn n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bbn n SER 81 N 0.00 6.18 -0.49 -2.24 7.64 -1.26 -4.73 113.62 118.73 2bbn n SER 81 Ca 0.00 -3.77 0.01 0.00 1.01 0.00 0.00 58.87 56.12 2bbn n SER 81 Cb 0.00 -0.80 0.05 0.00 -1.01 0.00 0.00 64.21 62.45 2bbn n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2bbn n GLU 82 N -0.46 1.39 0.20 1.43 1.02 -1.26 -3.85 120.64 119.10 2bbn n GLU 82 Ca 0.46 -0.37 0.04 0.00 -0.02 0.00 0.00 57.16 57.27 2bbn n GLU 82 Cb 0.42 -1.40 0.41 0.00 -0.02 0.00 0.00 31.44 30.84 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbn h GLU 83 N 0.51 0.00 0.74 3.49 5.08 -1.99 -2.58 114.58 119.83 2bbn h GLU 83 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2bbn h GLU 83 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2bbn h GLU 83 CO 0.04 0.32 -0.36 0.93 -1.00 0.00 0.00 179.01 178.95 2bbn h GLU 84 N 0.00 -0.96 -0.28 2.33 5.08 -2.00 0.21 114.58 118.96 2bbn h GLU 84 Ca -0.00 0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2bbn h GLU 84 Cb 0.60 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 2bbn h GLU 84 CO 0.04 -0.62 -0.18 0.82 -1.00 0.00 0.00 179.01 178.07 2bbn h ILE 85 N -1.22 0.49 0.08 3.13 1.08 -1.85 -1.32 117.51 117.91 2bbn h ILE 85 Ca -0.10 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 2bbn h ILE 85 Cb 0.77 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 2bbn h ILE 85 CO 0.17 0.00 -0.21 -0.09 -0.69 0.00 0.00 178.15 177.33 2bbn h ARG 86 N -0.15 -0.37 -0.68 2.37 2.43 -1.46 -1.64 114.38 114.89 2bbn h ARG 86 Ca 0.15 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.47 2bbn h ARG 86 Cb 0.38 0.08 -0.13 0.00 -0.42 0.00 0.00 29.97 29.89 2bbn h ARG 86 CO -0.38 -0.24 -0.29 0.93 -1.51 0.00 0.00 179.97 178.48 2bbn h GLU 87 N -0.38 -0.09 -0.83 0.20 4.39 0.12 0.86 114.58 118.84 2bbn h GLU 87 Ca 0.04 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.83 2bbn h GLU 87 Cb 0.42 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 2bbn h GLU 87 CO -0.14 -0.06 0.54 0.00 -1.16 0.00 0.00 179.01 178.19 2bbn h ALA 88 N 1.27 1.69 -0.37 3.43 0.00 -0.77 0.47 119.26 124.98 2bbn h ALA 88 Ca 0.28 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2bbn h ALA 88 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2bbn h ALA 88 CO -0.74 0.15 -0.19 0.35 0.00 0.00 0.00 179.25 178.82 2bbn h PHE 89 N 0.81 0.77 0.56 0.00 3.04 0.15 -2.58 116.94 119.70 2bbn h PHE 89 Ca 0.38 -0.16 -0.03 0.00 3.98 0.00 0.00 57.97 62.14 2bbn h PHE 89 Cb 0.39 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 38.72 2bbn h PHE 89 CO -0.00 0.83 -0.27 -0.09 -2.02 0.00 0.00 178.31 176.76 2bbn h ARG 90 N 0.62 -0.73 -1.05 1.11 2.43 0.16 -0.50 114.38 116.42 2bbn h ARG 90 Ca 0.09 0.05 0.27 0.00 -0.81 0.00 0.00 59.98 59.59 2bbn h ARG 90 Cb 0.66 0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 30.27 2bbn h ARG 90 CO 0.05 -0.43 0.66 0.28 -1.51 0.00 0.00 179.97 179.02 2bbn h VAL 91 N -0.94 0.50 0.20 0.20 2.07 -1.22 2.25 116.25 119.31 2bbn h VAL 91 Ca -0.08 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2bbn h VAL 91 Cb 0.64 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2bbn h VAL 91 CO 0.13 0.08 -0.10 -0.26 0.02 0.00 0.00 177.57 177.44 2bbn h PHE 92 N 0.41 -0.25 -1.21 1.57 -1.00 -1.11 -3.20 116.94 112.15 2bbn h PHE 92 Ca 0.62 -0.01 -0.67 0.00 2.81 0.00 0.00 57.97 60.72 2bbn h PHE 92 Cb 1.51 0.08 -0.32 0.00 3.61 0.00 0.00 35.95 40.83 2bbn h PHE 92 CO -0.00 0.10 0.48 -3.47 -1.61 0.00 0.00 178.31 173.80 2bbn n ASP 93 N -5.05 6.92 -0.28 2.17 2.03 0.05 -4.70 116.55 117.70 2bbn n ASP 93 Ca -0.09 -3.79 -0.11 0.00 0.52 0.00 0.00 54.79 51.33 2bbn n ASP 93 Cb 0.24 -0.84 -0.09 0.00 -0.72 0.00 0.00 41.12 39.71 2bbn n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2bbn h LYS 94 N 2.30 -0.12 -6.53 -0.67 3.64 0.36 -3.41 116.57 112.14 2bbn h LYS 94 Ca 0.53 0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 59.33 2bbn h LYS 94 Cb 0.78 0.03 0.15 0.00 -0.41 0.00 0.00 32.23 32.78 2bbn h LYS 94 CO 1.35 -0.08 -0.19 -0.40 -2.27 0.00 0.00 179.45 177.86 2bbn n ASP 95 N -5.01 -0.17 -4.55 4.20 5.68 -1.26 -4.75 116.55 110.68 2bbn n ASP 95 Ca -0.00 0.87 -0.37 0.00 -0.50 0.00 0.00 54.79 54.79 2bbn n ASP 95 Cb 0.26 -1.23 -0.03 0.00 -1.14 0.00 0.00 41.12 38.98 2bbn n ASP 95 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2bbn s GLY 96 N -1.00 -0.05 0.21 6.12 0.00 -1.26 -4.40 107.32 106.94 2bbn s GLY 96 Ca 0.67 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.96 2bbn s GLY 96 CO 0.55 3.69 0.00 0.70 0.00 0.00 0.00 173.10 178.04 2bbn n ASN 97 N 14.00 -0.98 0.00 1.64 4.13 -1.26 -5.03 115.26 127.75 2bbn n ASN 97 Ca 0.27 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.90 2bbn n ASN 97 Cb 0.53 1.07 0.00 0.00 -1.54 0.00 0.00 39.78 39.84 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 0.40 0.56 3.11 7.41 0.00 -1.26 -5.05 105.19 110.36 2bbn n GLY 98 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2bbn n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bbn s PHE 99 N -2.24 -0.27 0.18 1.61 0.08 -1.26 -4.47 117.98 111.60 2bbn s PHE 99 Ca 0.00 0.67 -0.30 0.00 0.12 0.00 0.00 56.93 57.41 2bbn s PHE 99 Cb 0.00 0.08 -0.08 0.00 -0.57 0.00 0.00 43.02 42.45 2bbn s PHE 99 CO 0.00 -0.15 1.31 0.42 -0.10 0.00 0.00 175.22 176.71 2bbn s ILE 100 N 0.33 3.28 0.28 0.64 1.01 -1.09 -4.86 121.20 120.78 2bbn s ILE 100 Ca -0.02 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.69 2bbn s ILE 100 Cb -0.03 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.82 2bbn s ILE 100 CO -0.01 0.14 0.30 -1.20 0.00 0.00 0.00 174.94 174.16 2bbn n SER 101 N 2.91 1.44 -0.04 3.58 7.64 -1.26 -3.40 113.62 124.49 2bbn n SER 101 Ca 0.07 -1.84 -0.05 0.00 1.01 0.00 0.00 58.87 58.06 2bbn n SER 101 Cb 0.43 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 2bbn n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bbn h ALA 102 N 0.51 -0.03 -0.31 -0.43 0.00 -1.99 -3.32 119.26 113.69 2bbn h ALA 102 Ca -0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2bbn h ALA 102 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2bbn h ALA 102 CO 0.23 -0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.57 2bbn h ALA 103 N -0.64 0.40 -0.71 0.00 0.00 -1.99 -2.33 119.26 113.99 2bbn h ALA 103 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bbn h ALA 103 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bbn h ALA 103 CO 0.01 -0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.64 2bbn n GLU 104 N -4.74 0.00 -0.23 0.00 1.02 -1.26 -1.02 120.64 114.41 2bbn n GLU 104 Ca -0.02 0.80 0.12 0.00 -0.02 0.00 0.00 57.16 58.05 2bbn n GLU 104 Cb 0.13 -1.38 0.41 0.00 -0.02 0.00 0.00 31.44 30.58 2bbn n GLU 104 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2bbn h LEU 105 N 0.00 0.59 -0.11 -4.62 5.85 -1.65 -2.81 115.31 112.55 2bbn h LEU 105 Ca 0.00 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2bbn h LEU 105 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2bbn h LEU 105 CO 0.00 0.31 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.20 2bbn h ARG 106 N 0.63 -0.06 -0.80 1.25 2.43 -0.49 0.48 114.38 117.82 2bbn h ARG 106 Ca 0.42 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.59 2bbn h ARG 106 Cb 0.71 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 2bbn h ARG 106 CO -0.17 -0.04 0.48 0.45 -1.51 0.00 0.00 179.97 179.18 2bbn h HIS 107 N -0.06 1.06 0.00 2.20 3.86 -1.32 -0.78 115.15 120.11 2bbn h HIS 107 Ca 0.02 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2bbn h HIS 107 Cb 0.11 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.23 2bbn h HIS 107 CO -0.72 0.71 -0.09 0.28 0.86 0.00 0.00 177.93 178.98 2bbn h VAL 108 N 1.10 1.05 0.00 2.45 2.07 -1.11 -1.40 116.25 120.42 2bbn h VAL 108 Ca 0.29 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2bbn h VAL 108 Cb -0.04 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2bbn h VAL 108 CO -0.05 0.08 -0.93 0.80 0.02 0.00 0.00 177.57 177.49 2bbn n MET 109 N -4.43 0.45 0.09 1.57 0.00 0.16 -3.91 117.12 111.06 2bbn n MET 109 Ca -0.03 0.08 0.02 0.00 0.00 0.00 0.00 57.70 57.77 2bbn n MET 109 Cb 0.16 -1.73 -0.03 0.00 0.00 0.00 0.00 33.22 31.63 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 0.67 0.00 1.12 2.02 -0.29 -3.23 112.91 113.20 2bbn h THR 110 Ca 0.00 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.11 2bbn h THR 110 Cb 0.87 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2bbn h THR 110 CO 0.00 0.38 0.00 0.59 0.37 0.00 0.00 175.52 176.86 2bbn n ASN 111 N -3.05 0.00 -0.81 4.18 3.02 -0.61 -2.71 115.26 115.28 2bbn n ASN 111 Ca -0.03 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2bbn n ASN 111 Cb 0.77 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.46 2.09 -1.59 3.41 4.77 -1.22 -4.78 117.00 118.21 2bbn n LEU 112 Ca 0.05 -1.06 -0.11 0.00 -0.03 0.00 0.00 56.01 54.86 2bbn n LEU 112 Cb 0.19 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.76 2bbn n LEU 112 CO 0.15 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2bbn n GLY 113 N 0.13 0.11 2.76 -0.72 0.00 -1.10 -5.01 105.19 101.35 2bbn n GLY 113 Ca 0.05 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -5.10 0.79 -0.89 1.61 2.02 -1.17 -5.06 118.70 110.90 2bbn s GLU 114 Ca 0.15 -1.02 -0.25 0.00 0.02 0.00 0.00 54.97 53.87 2bbn s GLU 114 Cb -0.07 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 2bbn s GLU 114 CO 0.19 -0.92 1.83 0.15 0.02 0.00 0.00 175.26 176.53 2bbn s LYS 115 N 1.60 2.76 0.19 1.61 3.01 -1.26 -4.36 119.74 123.30 2bbn s LYS 115 Ca 0.07 -0.35 -0.00 0.00 -1.01 0.00 0.00 55.97 54.69 2bbn s LYS 115 Cb -0.17 -5.03 0.04 0.00 -1.01 0.00 0.00 37.83 31.66 2bbn s LYS 115 CO -0.21 -3.08 0.26 1.28 0.51 0.00 0.00 175.35 174.11 2bbn n LEU 116 N 12.85 0.00 -0.14 3.17 4.32 -1.26 -5.04 117.00 130.90 2bbn n LEU 116 Ca 0.36 -0.53 0.02 0.00 -0.02 0.00 0.00 56.01 55.84 2bbn n LEU 116 Cb 0.48 -0.17 0.03 0.00 -1.62 0.00 0.00 43.42 42.13 2bbn n LEU 116 CO 0.62 -0.64 0.37 0.35 -1.22 0.00 0.00 177.39 176.88 2bbn n THR 117 N -1.82 0.60 0.00 -5.08 -2.24 -1.26 -4.96 114.28 99.52 2bbn n THR 117 Ca 0.04 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2bbn n THR 117 Cb 0.15 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.39 0.00 -0.04 3.42 5.68 -1.26 -4.73 116.55 119.23 2bbn n ASP 118 Ca 0.03 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.22 2bbn n ASP 118 Cb 0.52 -0.88 -0.09 0.00 -1.14 0.00 0.00 41.12 39.53 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2bbn h GLU 119 N 0.77 -0.04 0.13 0.11 4.81 -2.00 -2.70 114.58 115.66 2bbn h GLU 119 Ca 0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2bbn h GLU 119 Cb 0.00 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2bbn h GLU 119 CO 0.00 0.59 -0.28 0.93 -0.73 0.00 0.00 179.01 179.52 2bbn h GLU 120 N -0.94 -0.48 -0.44 1.92 5.08 -1.99 -2.36 114.58 115.37 2bbn h GLU 120 Ca -0.00 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2bbn h GLU 120 Cb 0.66 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.94 2bbn h GLU 120 CO 0.01 -0.32 -0.08 0.28 -1.00 0.00 0.00 179.01 177.89 2bbn h VAL 121 N -0.50 0.59 -0.78 3.13 2.07 -1.96 -1.05 116.25 117.75 2bbn h VAL 121 Ca 0.03 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.70 2bbn h VAL 121 Cb 0.52 0.56 -0.15 0.00 -1.52 0.00 0.00 31.29 30.70 2bbn h VAL 121 CO -0.15 0.00 -0.16 0.44 0.02 0.00 0.00 177.57 177.72 2bbn h ASP 122 N 0.03 -0.66 0.21 0.57 3.32 -1.08 0.91 116.42 119.72 2bbn h ASP 122 Ca 0.21 0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.45 2bbn h ASP 122 Cb 0.32 0.46 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2bbn h ASP 122 CO -0.43 -0.25 -0.21 -0.33 -1.72 0.00 0.00 179.24 176.30 2bbn h GLU 123 N 0.01 0.01 -0.02 3.56 3.07 -0.87 -2.06 114.58 118.28 2bbn h GLU 123 Ca 0.39 -0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.99 2bbn h GLU 123 Cb 0.61 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.53 2bbn h GLU 123 CO -0.78 0.22 -0.98 0.52 -1.40 0.00 0.00 179.01 176.58 2bbn h MET 124 N 0.01 0.64 -0.25 2.33 2.86 0.14 -1.50 114.93 119.14 2bbn h MET 124 Ca -0.00 -0.66 -0.09 0.00 -2.06 0.00 0.00 59.70 56.89 2bbn h MET 124 Cb 0.38 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2bbn h MET 124 CO 0.03 1.26 -0.22 0.82 1.06 0.00 0.00 176.91 179.85 2bbn h ILE 125 N 0.37 1.25 0.00 -1.22 2.04 -0.08 -2.40 117.51 117.47 2bbn h ILE 125 Ca -0.11 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2bbn h ILE 125 Cb 1.63 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 2bbn h ILE 125 CO 0.19 0.38 -0.34 0.03 0.00 0.00 0.00 178.15 178.41 2bbn h ARG 126 N 0.42 0.00 -0.20 2.37 3.08 -1.38 -3.24 114.38 115.43 2bbn h ARG 126 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 2bbn h ARG 126 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2bbn h ARG 126 CO 0.04 0.21 -0.19 1.49 -1.07 0.00 0.00 179.97 180.46 2bbn h GLU 127 N 0.00 0.35 0.00 0.04 4.81 -0.75 -2.49 114.58 116.54 2bbn h GLU 127 Ca -0.01 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.00 2bbn h GLU 127 Cb 1.18 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2bbn h GLU 127 CO 0.03 0.53 -0.56 0.00 -0.73 0.00 0.00 179.01 178.28 2bbn h ALA 128 N 1.49 0.75 -2.10 2.92 0.00 -1.56 -3.45 119.26 117.31 2bbn h ALA 128 Ca 0.06 -0.51 -0.61 0.00 0.00 0.00 0.00 54.91 53.85 2bbn h ALA 128 Cb 0.52 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.26 2bbn h ALA 128 CO 0.03 0.70 0.91 -3.47 0.00 0.00 0.00 179.25 177.42 2bbn n ASP 129 N -3.40 3.13 -0.07 0.00 -0.08 -0.94 -4.86 116.55 110.34 2bbn n ASP 129 Ca 0.01 1.04 -0.13 0.00 -1.51 0.00 0.00 54.79 54.20 2bbn n ASP 129 Cb 0.69 -1.38 -0.05 0.00 2.34 0.00 0.00 41.12 42.72 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 4.16 0.75 0.09 5.18 5.41 -1.26 -4.65 119.36 129.03 2bbn n ILE 130 Ca 0.20 -0.23 -0.09 0.00 1.00 0.00 0.00 62.75 63.64 2bbn n ILE 130 Cb 0.28 -1.41 -0.03 0.00 -0.71 0.00 0.00 39.64 37.77 2bbn n ILE 130 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2bbn h ASP 131 N -0.30 0.21 -0.44 4.38 3.04 -2.00 -3.49 116.42 117.83 2bbn h ASP 131 Ca -0.33 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 2bbn h ASP 131 Cb 1.36 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.58 2bbn h ASP 131 CO -0.15 1.02 0.00 0.61 -2.04 0.00 0.00 179.24 178.69 2bbn n GLY 132 N 0.99 0.52 0.87 7.15 0.00 -1.26 -5.08 105.19 108.38 2bbn n GLY 132 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2bbn n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bbn n ASP 133 N -0.08 0.81 0.00 1.61 5.75 -1.26 -5.11 116.55 118.27 2bbn n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2bbn n ASP 133 Cb 0.01 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 134 N 2.30 1.80 3.78 6.12 0.00 -1.26 -5.10 105.19 112.83 2bbn n GLY 134 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 3.23 0.12 1.61 1.11 -1.26 -4.77 119.66 119.70 2bbn s GLN 135 Ca 0.00 1.53 -0.20 0.00 0.01 0.00 0.00 55.36 56.70 2bbn s GLN 135 Cb 0.00 -2.00 -0.07 0.00 -1.01 0.00 0.00 33.01 29.93 2bbn s GLN 135 CO 0.00 -0.93 0.63 0.08 0.01 0.00 0.00 175.29 175.08 2bbn s VAL 136 N -1.95 4.65 0.32 1.09 1.01 -1.22 -4.94 120.40 119.37 2bbn s VAL 136 Ca 0.71 1.29 0.10 0.00 0.00 0.00 0.00 61.98 64.07 2bbn s VAL 136 Cb -0.22 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2bbn s VAL 136 CO 0.31 0.47 -0.05 0.21 0.00 0.00 0.00 175.10 176.04 2bbn s ASN 137 N -1.25 4.01 0.16 3.32 3.84 -1.26 -2.68 114.94 121.08 2bbn s ASN 137 Ca 0.33 -1.02 -0.23 0.00 0.21 0.00 0.00 52.86 52.15 2bbn s ASN 137 Cb -0.19 -0.48 0.05 0.00 -0.55 0.00 0.00 41.25 40.08 2bbn s ASN 137 CO 0.21 -0.16 1.60 0.22 -2.79 0.00 0.00 177.10 176.17 2bbn h TYR 138 N 1.94 -0.90 -0.24 0.43 5.03 -1.99 -2.66 116.97 118.58 2bbn h TYR 138 Ca -0.42 0.06 0.02 0.00 2.58 0.00 0.00 58.73 60.97 2bbn h TYR 138 Cb 1.25 0.45 -0.04 0.00 1.55 0.00 0.00 36.73 39.95 2bbn h TYR 138 CO 0.74 -0.38 -0.22 1.49 -1.32 0.00 0.00 178.16 178.46 2bbn h GLU 139 N -0.26 -0.09 0.00 1.82 4.22 -1.98 0.94 114.58 119.22 2bbn h GLU 139 Ca 0.16 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.61 2bbn h GLU 139 Cb 0.54 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2bbn h GLU 139 CO -0.52 -0.06 0.47 0.93 -2.18 0.00 0.00 179.01 177.65 2bbn h GLU 140 N -0.10 0.00 0.08 1.92 5.08 -1.85 -0.50 114.58 119.21 2bbn h GLU 140 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2bbn h GLU 140 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2bbn h GLU 140 CO -0.28 0.00 -0.04 0.35 -1.00 0.00 0.00 179.01 178.04 2bbn h PHE 141 N 0.00 -0.10 0.00 4.33 3.04 0.12 -2.46 116.94 121.87 2bbn h PHE 141 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2bbn h PHE 141 Cb 0.95 0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.49 2bbn h PHE 141 CO 0.00 0.28 0.00 0.28 -2.02 0.00 0.00 178.31 176.85 2bbn n VAL 142 N -4.81 0.09 -0.07 1.41 0.31 -0.43 -2.56 118.33 112.27 2bbn n VAL 142 Ca -0.05 0.02 -0.16 0.00 -0.01 0.00 0.00 64.34 64.14 2bbn n VAL 142 Cb 0.21 -0.62 -0.14 0.00 -0.91 0.00 0.00 33.84 32.38 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 -1.11 1.58 0.08 2.52 -1.04 -0.33 -2.93 114.28 113.06 2bbn n THR 143 Ca 0.16 -0.69 -0.10 0.00 -2.04 0.00 0.00 64.05 61.38 2bbn n THR 143 Cb 0.13 -1.25 -0.06 0.00 -1.82 0.00 0.00 70.33 67.32 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 0.02 0.19 0.00 -2.82 -1.53 -1.31 -3.24 114.93 106.23 2bbn h MET 144 Ca -0.48 -0.25 0.00 0.00 -3.44 0.00 0.00 59.70 55.53 2bbn h MET 144 Cb 2.03 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 33.16 2bbn h MET 144 CO 0.01 1.03 -0.76 0.52 0.14 0.00 0.00 176.91 177.86 2bbn h MET 145 N 0.08 0.00 -3.07 0.39 2.07 -1.69 -3.46 114.93 109.26 2bbn h MET 145 Ca -0.06 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.39 2bbn h MET 145 Cb 1.68 0.00 -0.28 0.00 -1.87 0.00 0.00 31.60 31.13 2bbn h MET 145 CO 0.15 0.00 -0.46 0.99 1.07 0.00 0.00 176.91 178.66 2bbn s THR 146 N -3.24 -0.02 -0.34 2.22 2.01 -1.15 -5.05 115.64 110.07 2bbn s THR 146 Ca 0.04 0.08 0.16 0.00 0.31 0.00 0.00 61.69 62.28 2bbn s THR 146 Cb 0.12 -0.37 0.44 0.00 0.01 0.00 0.00 72.50 72.70 2bbn s THR 146 CO 0.75 0.03 1.07 -0.24 -0.69 0.00 0.00 174.62 175.54 2bbn n SER 147 N 3.67 0.53 -0.46 3.53 2.88 -1.26 -3.94 113.62 118.57 2bbn n SER 147 Ca -0.20 -2.62 0.14 0.00 -1.33 0.00 0.00 58.87 54.87 2bbn n SER 147 Cb 0.55 -0.11 0.55 0.00 -0.75 0.00 0.00 64.21 64.45 2bbn n SER 147 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10