#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buz s LEU 2 N 0.00 0.74 0.00 -3.43 2.96 -1.26 -3.55 118.68 114.14 1buz s LEU 2 Ca 0.00 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 1buz s LEU 2 Cb 0.00 1.22 0.00 0.00 0.50 0.00 0.00 46.19 47.91 1buz s LEU 2 CO 0.00 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 1buz n GLY 3 N 2.31 2.14 0.00 7.98 0.00 2.35 -4.91 105.19 115.05 1buz n GLY 3 Ca -0.16 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1buz n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1buz n ILE 4 N -0.11 0.00 -3.88 -0.61 0.00 -1.25 -4.20 119.36 109.32 1buz n ILE 4 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 62.75 62.64 1buz n ILE 4 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 39.64 39.54 1buz n ILE 4 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1buz s ASP 5 N 0.00 0.05 -0.01 9.51 2.15 0.19 -4.92 116.67 123.64 1buz s ASP 5 Ca 0.00 -0.26 -0.00 0.00 0.43 0.00 0.00 52.55 52.71 1buz s ASP 5 Cb 0.00 0.20 0.01 0.00 -0.30 0.00 0.00 42.92 42.84 1buz s ASP 5 CO 0.00 -0.39 0.02 -0.04 -0.17 0.00 0.00 175.17 174.59 1buz s MET 6 N -1.56 -0.00 0.06 4.34 -1.94 -1.24 -0.60 119.30 118.36 1buz s MET 6 Ca -0.14 0.08 -0.03 0.00 -1.71 0.00 0.00 55.69 53.90 1buz s MET 6 Cb -0.07 -0.08 -0.03 0.00 2.01 0.00 0.00 34.83 36.66 1buz s MET 6 CO 0.01 -0.06 0.02 -0.80 -0.01 0.00 0.00 175.02 174.17 1buz s ASN 7 N 0.38 0.41 -0.00 3.03 -0.87 0.56 -4.89 114.94 113.57 1buz s ASN 7 Ca -0.03 -0.92 0.05 0.00 -1.57 0.00 0.00 52.86 50.39 1buz s ASN 7 Cb -0.05 0.23 -0.01 0.00 -0.02 0.00 0.00 41.25 41.40 1buz s ASN 7 CO -0.01 -0.62 -0.16 0.54 -2.57 0.00 0.00 177.10 174.28 1buz s VAL 8 N -3.87 1.24 -0.26 1.60 0.11 -1.24 0.27 120.40 118.25 1buz s VAL 8 Ca 0.06 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 1buz s VAL 8 Cb 0.07 -1.05 0.13 0.00 -1.53 0.00 0.00 36.38 34.00 1buz s VAL 8 CO -0.10 0.30 0.30 -0.54 -3.33 0.00 0.00 175.10 171.73 1buz s LYS 9 N -0.50 0.30 0.00 1.54 -0.14 0.34 -4.88 119.74 116.40 1buz s LYS 9 Ca 0.06 0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.73 1buz s LYS 9 Cb -0.06 -0.75 0.00 0.00 -1.68 0.00 0.00 37.83 35.34 1buz s LYS 9 CO -0.00 -0.87 0.00 -1.91 -0.76 0.00 0.00 175.35 171.80 1buz n GLU 10 N 5.32 0.00 0.00 1.68 2.13 -1.26 0.09 120.64 128.61 1buz n GLU 10 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1buz n GLU 10 Cb 0.48 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.34 1buz n GLU 10 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1buz n SER 11 N 0.18 0.00 -4.62 4.31 3.41 -1.26 -5.02 113.62 110.62 1buz n SER 11 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1buz n SER 11 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1buz n SER 11 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1buz s VAL 12 N 0.00 5.10 -0.54 -3.33 0.11 0.11 0.38 120.40 122.24 1buz s VAL 12 Ca 0.00 0.82 -0.18 0.00 -2.93 0.00 0.00 61.98 59.69 1buz s VAL 12 Cb 0.00 -3.80 0.09 0.00 -1.53 0.00 0.00 36.38 31.14 1buz s VAL 12 CO 0.00 0.11 0.57 -1.48 -3.33 0.00 0.00 175.10 170.97 1buz s LEU 13 N 2.20 5.53 0.19 2.54 0.05 0.30 0.13 118.68 129.62 1buz s LEU 13 Ca 0.20 -1.38 -0.30 0.00 0.05 0.00 0.00 54.13 52.70 1buz s LEU 13 Cb -0.16 -2.29 -0.08 0.00 -2.05 0.00 0.00 46.19 41.61 1buz s LEU 13 CO 0.09 -0.91 1.25 0.00 -0.55 0.00 0.00 176.35 176.23 1buz s ILE 15 N 0.02 2.21 -0.57 0.00 1.09 0.20 0.21 121.20 124.37 1buz s ILE 15 Ca 0.55 -2.20 -0.22 0.00 -1.10 0.00 0.00 60.65 57.67 1buz s ILE 15 Cb -0.34 -2.58 0.05 0.00 -1.06 0.00 0.00 42.46 38.53 1buz s ILE 15 CO 0.37 -0.51 0.87 -0.13 -0.10 0.00 0.00 174.94 175.44 1buz s ARG 16 N 0.96 3.22 -0.21 2.79 0.52 0.23 -3.02 118.95 123.45 1buz s ARG 16 Ca 0.08 -0.58 -0.10 0.00 -0.52 0.00 0.00 55.73 54.61 1buz s ARG 16 Cb -0.19 -4.11 -0.05 0.00 0.52 0.00 0.00 34.95 31.12 1buz s ARG 16 CO -0.08 -1.51 0.12 -1.17 0.02 0.00 0.00 175.30 172.69 1buz s LEU 17 N 3.64 4.10 -0.17 2.53 1.98 -1.22 0.56 118.68 130.11 1buz s LEU 17 Ca 0.24 0.17 -0.02 0.00 -2.89 0.00 0.00 54.13 51.63 1buz s LEU 17 Cb -0.15 -2.07 0.05 0.00 0.66 0.00 0.00 46.19 44.68 1buz s LEU 17 CO 0.15 0.15 -0.00 0.42 -1.89 0.00 0.00 176.35 175.17 1buz s THR 18 N 0.56 0.76 0.00 3.68 -4.23 -1.26 -3.60 115.64 111.55 1buz s THR 18 Ca 0.07 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1buz s THR 18 Cb -0.12 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1buz s THR 18 CO 0.00 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1buz n GLY 19 N 4.98 -0.41 3.41 3.99 0.00 -1.17 0.57 105.19 116.56 1buz n GLY 19 Ca -0.10 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1buz n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1buz s GLU 20 N 0.00 1.51 -0.60 1.61 8.01 -1.23 -4.08 118.70 123.92 1buz s GLU 20 Ca 0.00 -1.68 0.02 0.00 0.01 0.00 0.00 54.97 53.33 1buz s GLU 20 Cb 0.00 -1.47 0.15 0.00 -4.31 0.00 0.00 34.13 28.50 1buz s GLU 20 CO 0.00 0.27 0.38 -0.51 0.01 0.00 0.00 175.26 175.40 1buz s LEU 21 N -3.39 4.68 0.20 1.80 2.01 -1.26 -4.56 118.68 118.16 1buz s LEU 21 Ca 0.26 -3.19 -0.02 0.00 0.01 0.00 0.00 54.13 51.19 1buz s LEU 21 Cb -0.03 -1.70 -0.04 0.00 0.01 0.00 0.00 46.19 44.43 1buz s LEU 21 CO 0.11 -0.23 0.16 1.51 1.01 0.00 0.00 176.35 178.91 1buz s ASP 22 N -0.31 0.14 0.65 2.29 1.47 -1.26 -1.41 116.67 118.25 1buz s ASP 22 Ca 0.19 -1.31 0.17 0.00 1.18 0.00 0.00 52.55 52.78 1buz s ASP 22 Cb -0.20 0.39 0.90 0.00 -0.34 0.00 0.00 42.92 43.67 1buz s ASP 22 CO -0.05 -0.86 1.49 1.12 0.68 0.00 0.00 175.17 177.56 1buz h HIS 23 N 2.61 0.00 0.00 2.11 2.07 -1.96 3.51 115.15 123.50 1buz h HIS 23 Ca -0.35 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.17 1buz h HIS 23 Cb 1.24 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.22 1buz h HIS 23 CO 0.37 0.00 -0.02 0.45 -3.07 0.00 0.00 177.93 175.66 1buz h HIS 24 N 0.00 0.00 0.00 6.12 -0.00 -1.95 -3.04 115.15 116.28 1buz h HIS 24 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.27 1buz h HIS 24 Cb 1.42 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.81 1buz h HIS 24 CO 0.00 0.78 -0.74 1.79 -0.00 0.00 0.00 177.93 179.76 1buz h THR 25 N -1.00 1.32 0.00 2.45 1.35 -0.03 -3.05 112.91 113.96 1buz h THR 25 Ca -0.00 -2.73 -0.02 0.00 -0.55 0.00 0.00 66.41 63.11 1buz h THR 25 Cb 0.78 2.56 -0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1buz h THR 25 CO -0.00 0.72 -0.10 0.00 -0.25 0.00 0.00 175.52 175.89 1buz h ALA 26 N 1.26 1.09 -0.16 6.62 0.00 0.61 -2.80 119.26 125.88 1buz h ALA 26 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1buz h ALA 26 Cb 1.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1buz h ALA 26 CO 0.10 0.13 0.08 1.49 0.00 0.00 0.00 179.25 181.04 1buz h GLU 27 N 0.00 0.23 -0.87 0.00 4.57 -1.41 -1.82 114.58 115.28 1buz h GLU 27 Ca -0.00 -0.03 0.23 0.00 -1.18 0.00 0.00 59.36 58.37 1buz h GLU 27 Cb 0.47 -0.04 -0.15 0.00 -0.16 0.00 0.00 28.75 28.87 1buz h GLU 27 CO 0.01 0.27 0.11 1.15 -1.18 0.00 0.00 179.01 179.38 1buz h THR 28 N 0.13 0.24 0.00 0.32 2.02 -1.63 1.91 112.91 115.90 1buz h THR 28 Ca 0.05 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 1buz h THR 28 Cb 0.12 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1buz h THR 28 CO -0.01 0.02 -0.47 0.25 0.37 0.00 0.00 175.52 175.69 1buz h LEU 29 N 0.12 0.00 -0.68 2.58 5.85 -1.60 -2.80 115.31 118.78 1buz h LEU 29 Ca 0.52 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.33 1buz h LEU 29 Cb 1.03 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 1buz h LEU 29 CO -0.73 0.47 0.34 0.50 -0.34 0.00 0.00 178.44 178.67 1buz h LYS 30 N 0.00 0.57 -0.02 1.25 3.11 0.38 0.41 116.57 122.27 1buz h LYS 30 Ca -0.00 -0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.67 1buz h LYS 30 Cb 0.90 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.98 1buz h LYS 30 CO 0.06 0.38 -0.62 -0.56 -2.81 0.00 0.00 179.45 175.90 1buz h GLN 31 N 0.59 0.08 0.00 1.90 3.07 -1.14 -2.39 115.11 117.22 1buz h GLN 31 Ca 0.33 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 59.01 1buz h GLN 31 Cb 0.33 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1buz h GLN 31 CO -0.25 0.67 0.00 1.17 0.09 0.00 0.00 178.83 180.51 1buz n LYS 32 N -3.83 0.07 0.02 0.06 3.00 0.03 -2.59 118.16 114.93 1buz n LYS 32 Ca -0.02 0.38 -0.07 0.00 -0.00 0.00 0.00 58.31 58.60 1buz n LYS 32 Cb 0.62 -1.66 -0.05 0.00 0.00 0.00 0.00 35.03 33.93 1buz n LYS 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1buz h VAL 33 N 0.00 0.58 -0.83 3.15 2.07 -0.73 -2.00 116.25 118.49 1buz h VAL 33 Ca 0.00 -1.20 0.14 0.00 0.82 0.00 0.00 66.70 66.47 1buz h VAL 33 Cb 0.22 1.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 1buz h VAL 33 CO 0.00 0.17 0.42 0.00 0.02 0.00 0.00 177.57 178.18 1buz h THR 34 N -0.98 0.73 -0.55 2.57 1.03 -1.57 2.02 112.91 116.16 1buz h THR 34 Ca -0.02 -0.21 -0.05 0.00 -0.01 0.00 0.00 66.41 66.13 1buz h THR 34 Cb 0.41 0.07 -0.02 0.00 -1.07 0.00 0.00 68.15 67.54 1buz h THR 34 CO 0.03 0.11 0.16 1.56 -0.01 0.00 0.00 175.52 177.37 1buz h GLN 35 N 0.61 0.87 0.00 0.00 4.20 -1.60 -2.30 115.11 116.88 1buz h GLN 35 Ca 0.45 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 1buz h GLN 35 Cb 0.63 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1buz h GLN 35 CO -0.36 0.80 -0.23 1.03 -0.67 0.00 0.00 178.83 179.40 1buz h SER 36 N 0.77 0.00 -1.06 1.46 0.87 -0.18 -2.78 113.55 112.63 1buz h SER 36 Ca 0.18 0.00 0.28 0.00 -1.23 0.00 0.00 61.79 61.02 1buz h SER 36 Cb 0.30 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.17 1buz h SER 36 CO -0.00 0.23 0.70 -0.07 -0.53 0.00 0.00 176.83 177.15 1buz h LEU 37 N 0.00 0.35 -5.00 2.23 -0.00 0.37 -3.29 115.31 109.98 1buz h LEU 37 Ca -0.00 0.07 -0.17 0.00 -0.00 0.00 0.00 57.88 57.77 1buz h LEU 37 Cb 1.01 0.01 -0.15 0.00 -0.00 0.00 0.00 40.66 41.53 1buz h LEU 37 CO 0.03 0.06 -0.45 -0.62 -0.00 0.00 0.00 178.44 177.46 1buz n GLU 38 N -4.54 0.62 -0.04 1.13 1.02 -1.19 -4.85 120.64 112.78 1buz n GLU 38 Ca 0.25 -1.76 -0.13 0.00 -0.02 0.00 0.00 57.16 55.50 1buz n GLU 38 Cb 0.95 -1.33 -0.08 0.00 -0.02 0.00 0.00 31.44 30.96 1buz n GLU 38 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1buz h LYS 39 N 4.38 0.25 0.00 3.49 3.64 -1.57 -3.49 116.57 123.27 1buz h LYS 39 Ca -0.06 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1buz h LYS 39 Cb 1.08 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1buz h LYS 39 CO 0.15 0.69 0.00 -0.25 -2.27 0.00 0.00 179.45 177.77 1buz n ASP 40 N -4.63 0.00 0.00 4.20 9.92 -1.26 -5.10 116.55 119.68 1buz n ASP 40 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1buz n ASP 40 Cb 0.34 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1buz n ASP 40 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1buz n ASP 41 N 0.00 0.00 -3.45 -2.24 -0.08 -1.26 -5.02 116.55 104.50 1buz n ASP 41 Ca 0.00 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.00 1buz n ASP 41 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 1buz n ASP 41 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1buz s ILE 42 N 0.00 0.16 0.00 5.18 -1.09 -1.26 -5.01 121.20 119.18 1buz s ILE 42 Ca 0.00 -1.84 0.00 0.00 -2.23 0.00 0.00 60.65 56.58 1buz s ILE 42 Cb 0.00 -1.13 0.00 0.00 -1.58 0.00 0.00 42.46 39.75 1buz s ILE 42 CO 0.00 -1.02 0.00 0.54 -1.23 0.00 0.00 174.94 173.23 1buz n ARG 43 N 3.85 0.26 -4.20 2.79 3.00 -1.26 -4.95 116.66 116.16 1buz n ARG 43 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.86 1buz n ARG 43 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.75 1buz n ARG 43 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1buz s HIS 44 N -0.64 1.06 0.19 -1.55 3.76 1.23 -4.74 115.29 114.59 1buz s HIS 44 Ca 0.00 -0.79 0.05 0.00 -0.15 0.00 0.00 55.06 54.16 1buz s HIS 44 Cb 0.00 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 1buz s HIS 44 CO 0.00 -0.03 0.25 0.96 -0.85 0.00 0.00 174.74 175.07 1buz s ILE 45 N -3.20 4.93 -0.46 0.60 -0.00 -1.26 0.11 121.20 121.93 1buz s ILE 45 Ca 0.12 -0.99 0.04 0.00 -0.00 0.00 0.00 60.65 59.82 1buz s ILE 45 Cb 0.02 -3.59 0.19 0.00 -0.00 0.00 0.00 42.46 39.08 1buz s ILE 45 CO -0.02 -0.20 0.79 -0.69 -0.00 0.00 0.00 174.94 174.82 1buz s VAL 46 N -1.87 -0.82 0.47 8.37 1.01 -1.20 -4.46 120.40 121.89 1buz s VAL 46 Ca 0.33 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1buz s VAL 46 Cb -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 36.38 36.22 1buz s VAL 46 CO 0.27 0.00 0.87 -0.76 0.00 0.00 0.00 175.10 175.48 1buz s LEU 47 N 1.16 3.70 -0.30 3.92 2.01 -1.24 -0.63 118.68 127.31 1buz s LEU 47 Ca 0.25 1.32 -0.14 0.00 0.01 0.00 0.00 54.13 55.57 1buz s LEU 47 Cb 0.01 -4.24 0.18 0.00 0.01 0.00 0.00 46.19 42.16 1buz s LEU 47 CO -0.07 -0.51 1.12 0.54 1.01 0.00 0.00 176.35 178.44 1buz s ASN 48 N -3.22 -0.26 -0.24 2.29 2.20 -1.17 -3.13 114.94 111.42 1buz s ASN 48 Ca 0.54 0.08 -0.08 0.00 -0.94 0.00 0.00 52.86 52.46 1buz s ASN 48 Cb -0.10 1.18 -0.04 0.00 -2.00 0.00 0.00 41.25 40.30 1buz s ASN 48 CO 0.33 -0.05 0.10 -0.22 -2.94 0.00 0.00 177.10 174.32 1buz s LEU 49 N 2.97 3.70 0.02 3.54 0.20 -1.26 -3.41 118.68 124.44 1buz s LEU 49 Ca 0.16 -0.07 0.22 0.00 0.69 0.00 0.00 54.13 55.14 1buz s LEU 49 Cb -0.04 -1.98 -0.24 0.00 -0.43 0.00 0.00 46.19 43.50 1buz s LEU 49 CO -0.17 0.03 0.66 1.21 -0.29 0.00 0.00 176.35 177.78 1buz n GLU 50 N 4.52 0.56 -3.06 1.98 0.00 -1.24 -4.50 120.64 118.90 1buz n GLU 50 Ca -0.16 -0.11 -0.37 0.00 0.00 0.00 0.00 57.16 56.52 1buz n GLU 50 Cb 0.52 -1.58 -0.02 0.00 0.00 0.00 0.00 31.44 30.36 1buz n GLU 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1buz n ASP 51 N -2.23 5.65 -4.59 4.31 -0.08 -1.26 -5.01 116.55 113.34 1buz n ASP 51 Ca -0.02 -3.49 -0.41 0.00 -1.51 0.00 0.00 54.79 49.36 1buz n ASP 51 Cb 0.53 -1.02 -0.07 0.00 2.34 0.00 0.00 41.12 42.90 1buz n ASP 51 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1buz s LEU 52 N -3.00 4.18 0.00 -2.67 1.98 -1.26 -3.05 118.68 114.85 1buz s LEU 52 Ca 0.36 0.32 0.00 0.00 -2.89 0.00 0.00 54.13 51.93 1buz s LEU 52 Cb 0.12 -2.74 0.00 0.00 0.66 0.00 0.00 46.19 44.23 1buz s LEU 52 CO 0.02 -0.46 0.00 -0.24 -1.89 0.00 0.00 176.35 173.78 1buz n SER 53 N 5.81 0.00 0.00 3.68 2.88 -1.26 -5.00 113.62 119.73 1buz n SER 53 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1buz n SER 53 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1buz n SER 53 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1buz n PHE 54 N 0.00 0.00 -3.15 0.66 7.35 -1.26 -4.96 117.46 116.10 1buz n PHE 54 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1buz n PHE 54 Cb 0.00 -0.46 -0.00 0.00 0.35 0.00 0.00 39.48 39.37 1buz n PHE 54 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 1buz n MET 55 N -1.88 -0.57 0.00 -4.13 0.00 -1.22 -4.90 117.12 104.43 1buz n MET 55 Ca 0.00 0.95 0.00 0.00 -0.00 0.00 0.00 57.70 58.65 1buz n MET 55 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 33.22 31.90 1buz n MET 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1buz n ASP 56 N 1.31 0.63 -1.33 6.12 -0.08 -0.50 -4.96 116.55 117.75 1buz n ASP 56 Ca -0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 1buz n ASP 56 Cb 0.44 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.15 1buz n ASP 56 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1buz n SER 57 N 0.00 3.84 -0.02 1.67 3.41 -1.26 -3.97 113.62 117.28 1buz n SER 57 Ca 0.00 -2.52 -0.16 0.00 -0.26 0.00 0.00 58.87 55.94 1buz n SER 57 Cb 0.00 -0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 63.25 1buz n SER 57 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1buz h SER 58 N 2.58 0.24 0.22 4.04 0.02 -1.93 -3.32 113.55 115.39 1buz h SER 58 Ca 0.00 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 1buz h SER 58 Cb 1.34 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1buz h SER 58 CO 0.28 1.03 -0.72 0.61 -1.14 0.00 0.00 176.83 176.88 1buz n GLY 59 N 1.16 -1.02 0.27 -3.77 0.00 -1.26 -4.26 105.19 96.32 1buz n GLY 59 Ca -0.10 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.49 1buz n GLY 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1buz h LEU 60 N 0.21 0.04 -0.23 0.99 7.12 -1.69 0.30 115.31 122.05 1buz h LEU 60 Ca 0.00 0.15 -0.21 0.00 0.13 0.00 0.00 57.88 57.95 1buz h LEU 60 Cb 0.52 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.83 1buz h LEU 60 CO 0.00 -0.03 -0.91 1.23 -0.13 0.00 0.00 178.44 178.60 1buz h GLY 61 N 0.28 0.29 2.00 3.75 0.00 -1.74 -0.91 103.07 106.74 1buz h GLY 61 Ca 0.42 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1buz h GLY 61 CO -0.51 0.46 -0.05 -0.24 0.00 0.00 0.00 176.54 176.20 1buz h VAL 62 N 0.14 0.45 0.06 4.60 3.04 -0.89 1.57 116.25 125.23 1buz h VAL 62 Ca -0.06 -0.25 -0.36 0.00 -1.01 0.00 0.00 66.70 65.03 1buz h VAL 62 Cb 1.54 1.17 -0.04 0.00 -2.01 0.00 0.00 31.29 31.95 1buz h VAL 62 CO 0.14 0.05 -2.10 -0.38 -1.01 0.00 0.00 177.57 174.28 1buz n ILE 63 N -3.63 1.65 -0.09 3.17 5.41 0.76 -3.62 119.36 123.02 1buz n ILE 63 Ca -0.02 -0.68 -0.14 0.00 1.00 0.00 0.00 62.75 62.91 1buz n ILE 63 Cb 0.16 -1.44 -0.04 0.00 -0.71 0.00 0.00 39.64 37.60 1buz n ILE 63 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1buz h LEU 64 N 0.04 0.87 -2.18 1.39 5.85 -0.45 -1.72 115.31 119.11 1buz h LEU 64 Ca -0.45 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 57.76 1buz h LEU 64 Cb 2.02 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1buz h LEU 64 CO 0.04 1.22 0.00 1.23 -0.34 0.00 0.00 178.44 180.59 1buz h GLY 65 N 0.56 0.00 0.96 3.75 0.00 0.21 -2.32 103.07 106.22 1buz h GLY 65 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.02 1buz h GLY 65 CO 0.10 0.00 -1.74 3.21 0.00 0.00 0.00 176.54 178.11 1buz h ARG 66 N 0.00 0.30 -0.88 4.80 3.08 -1.55 -3.13 114.38 117.00 1buz h ARG 66 Ca 0.00 -0.51 0.23 0.00 0.07 0.00 0.00 59.98 59.77 1buz h ARG 66 Cb 0.26 0.19 -0.13 0.00 0.08 0.00 0.00 29.97 30.36 1buz h ARG 66 CO 0.00 1.18 0.28 -0.92 -1.07 0.00 0.00 179.97 179.44 1buz h TYR 67 N 0.08 0.44 0.00 3.04 3.20 -0.73 4.54 116.97 127.54 1buz h TYR 67 Ca -0.33 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1buz h TYR 67 Cb 2.06 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.27 1buz h TYR 67 CO 0.08 -0.16 -0.34 1.63 -1.64 0.00 0.00 178.16 177.73 1buz n LYS 68 N -5.17 0.28 -0.00 1.82 4.76 -1.22 -2.71 118.16 115.92 1buz n LYS 68 Ca 0.21 0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 55.66 1buz n LYS 68 Cb 0.67 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 31.98 1buz n LYS 68 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1buz h GLN 69 N 0.00 0.13 -0.14 1.97 5.75 0.21 -3.04 115.11 119.99 1buz h GLN 69 Ca 0.00 -0.21 -0.17 0.00 -0.15 0.00 0.00 58.65 58.11 1buz h GLN 69 Cb 0.74 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.37 1buz h GLN 69 CO 0.00 0.83 -0.62 0.97 -2.65 0.00 0.00 178.83 177.36 1buz h ILE 70 N 0.03 1.34 0.00 2.39 6.09 0.81 -2.65 117.51 125.52 1buz h ILE 70 Ca -0.33 -1.92 0.00 0.00 -1.37 0.00 0.00 64.86 61.23 1buz h ILE 70 Cb 2.02 1.90 0.00 0.00 0.47 0.00 0.00 36.82 41.21 1buz h ILE 70 CO 0.09 0.59 0.00 0.11 -3.07 0.00 0.00 178.15 175.87 1buz h LYS 71 N 0.37 0.00 0.00 2.19 1.57 -1.65 -2.79 116.57 116.27 1buz h LYS 71 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1buz h LYS 71 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1buz h LYS 71 CO 0.11 0.00 0.00 0.37 -0.57 0.00 0.00 179.45 179.36 1buz h GLN 72 N 0.00 0.00 0.05 3.15 4.15 -1.34 -2.20 115.11 118.92 1buz h GLN 72 Ca 0.00 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.14 1buz h GLN 72 Cb 0.78 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 1buz h GLN 72 CO 0.00 0.00 -1.51 0.82 -1.93 0.00 0.00 178.83 176.21 1buz h ILE 73 N 0.00 1.12 0.00 2.39 2.04 -1.52 -3.48 117.51 118.05 1buz h ILE 73 Ca 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.99 1buz h ILE 73 Cb 0.39 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1buz h ILE 73 CO 0.00 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.49 1buz n GLY 74 N 1.58 0.82 0.00 5.37 0.00 -0.83 -4.95 105.19 107.19 1buz n GLY 74 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1buz n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1buz n GLY 75 N 0.00 4.56 3.33 -0.02 0.00 -1.25 -4.91 105.19 106.90 1buz n GLY 75 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1buz n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1buz s GLU 76 N 4.15 1.03 -0.21 1.61 0.41 -1.26 -4.74 118.70 119.70 1buz s GLU 76 Ca 0.00 -0.55 -0.05 0.00 -0.41 0.00 0.00 54.97 53.96 1buz s GLU 76 Cb 0.00 0.46 -0.02 0.00 -1.78 0.00 0.00 34.13 32.79 1buz s GLU 76 CO 0.00 -0.39 -0.01 1.41 -0.49 0.00 0.00 175.26 175.78 1buz s MET 77 N -3.28 3.55 0.10 1.61 1.75 -1.26 -4.08 119.30 117.69 1buz s MET 77 Ca -0.00 -0.55 0.08 0.00 -1.25 0.00 0.00 55.69 53.96 1buz s MET 77 Cb 0.01 -3.07 -0.03 0.00 2.84 0.00 0.00 34.83 34.58 1buz s MET 77 CO -0.08 -0.06 -0.19 0.08 -0.65 0.00 0.00 175.02 174.12 1buz s VAL 78 N 1.16 1.61 -0.28 10.11 1.01 -1.26 -4.84 120.40 127.91 1buz s VAL 78 Ca 0.03 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.27 1buz s VAL 78 Cb -0.14 -1.50 0.08 0.00 0.00 0.00 0.00 36.38 34.82 1buz s VAL 78 CO 0.01 -0.12 0.72 0.54 0.00 0.00 0.00 175.10 176.25 1buz s VAL 79 N -1.29 0.00 0.00 2.92 0.11 -1.26 -3.61 120.40 117.27 1buz s VAL 79 Ca 0.06 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1buz s VAL 79 Cb -0.09 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1buz s VAL 79 CO 0.04 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.81 1buz n ALA 81 N -3.00 -0.21 -1.12 0.00 0.00 -1.26 -4.22 120.51 110.70 1buz n ALA 81 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1buz n ALA 81 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1buz n ALA 81 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1buz n ILE 82 N -1.91 0.00 -3.60 0.00 0.13 -1.26 -4.76 119.36 107.96 1buz n ILE 82 Ca -0.02 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.59 1buz n ILE 82 Cb 0.52 -1.93 -0.02 0.00 -0.84 0.00 0.00 39.64 37.37 1buz n ILE 82 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1buz s SER 83 N -1.00 -0.18 0.00 9.51 0.15 -1.26 -4.94 113.70 115.98 1buz s SER 83 Ca 0.00 -0.08 0.22 0.00 0.70 0.00 0.00 55.95 56.80 1buz s SER 83 Cb 0.00 0.25 1.02 0.00 -1.71 0.00 0.00 66.02 65.58 1buz s SER 83 CO 0.00 -0.42 1.72 -0.81 1.20 0.00 0.00 173.24 174.93 1buz n PRO 84 N -0.26 0.13 -1.11 5.44 -0.04 -1.26 -1.33 135.00 136.57 1buz n PRO 84 Ca -0.04 0.10 0.05 0.00 -0.04 0.00 0.00 63.50 63.56 1buz n PRO 84 Cb 0.60 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.65 1buz n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1buz n ALA 85 N -1.41 2.78 0.00 0.55 0.00 -1.26 -4.75 120.51 116.42 1buz n ALA 85 Ca 0.08 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1buz n ALA 85 Cb 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1buz n ALA 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1buz n VAL 86 N -0.12 0.00 0.58 0.00 0.31 -1.10 -4.76 118.33 113.24 1buz n VAL 86 Ca 0.10 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.50 1buz n VAL 86 Cb 0.96 -0.03 0.33 0.00 -0.91 0.00 0.00 33.84 34.20 1buz n VAL 86 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1buz n LYS 87 N -1.15 0.10 0.28 5.55 2.85 -0.44 -1.98 118.16 123.37 1buz n LYS 87 Ca 0.00 0.20 0.17 0.00 -1.05 0.00 0.00 58.31 57.63 1buz n LYS 87 Cb 0.02 -1.50 0.74 0.00 -0.65 0.00 0.00 35.03 33.64 1buz n LYS 87 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 1buz h ARG 88 N 0.00 0.00 -0.21 -1.58 -0.00 -1.86 0.37 114.38 111.10 1buz h ARG 88 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.94 1buz h ARG 88 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.15 1buz h ARG 88 CO 0.00 0.03 -0.03 -0.07 -0.00 0.00 0.00 179.97 179.91 1buz h LEU 89 N 0.00 0.39 0.00 0.08 3.38 -1.77 -1.42 115.31 115.98 1buz h LEU 89 Ca -0.00 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1buz h LEU 89 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1buz h LEU 89 CO 0.00 0.64 -0.88 -0.26 0.09 0.00 0.00 178.44 178.03 1buz h PHE 90 N 0.14 0.00 -0.10 1.13 -1.00 -1.68 -2.99 116.94 112.44 1buz h PHE 90 Ca 0.06 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.72 1buz h PHE 90 Cb 0.46 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1buz h PHE 90 CO 0.04 0.21 -0.45 0.22 -1.61 0.00 0.00 178.31 176.72 1buz h ASP 91 N 0.00 0.25 0.68 2.17 3.58 -0.20 -1.55 116.42 121.35 1buz h ASP 91 Ca -0.04 -0.11 -0.26 0.00 0.42 0.00 0.00 57.03 57.03 1buz h ASP 91 Cb 1.20 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 1buz h ASP 91 CO 0.02 0.67 -1.37 -0.03 -2.88 0.00 0.00 179.24 175.65 1buz h MET 92 N 0.19 0.08 -0.53 0.28 4.05 -1.33 -3.31 114.93 114.36 1buz h MET 92 Ca 0.01 -0.13 -0.10 0.00 -0.28 0.00 0.00 59.70 59.20 1buz h MET 92 Cb 0.87 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 1buz h MET 92 CO 0.07 0.89 -0.08 1.03 0.23 0.00 0.00 176.91 179.05 1buz h SER 93 N 0.02 0.95 0.00 1.39 0.87 -1.36 -3.46 113.55 111.96 1buz h SER 93 Ca -0.16 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1buz h SER 93 Cb 1.92 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 1buz h SER 93 CO 0.13 1.05 0.00 0.61 -0.53 0.00 0.00 176.83 178.09 1buz n GLY 94 N -0.37 0.72 1.13 5.77 0.00 -0.60 -4.85 105.19 107.00 1buz n GLY 94 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1buz n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1buz n LEU 95 N 0.00 3.79 -0.33 0.99 7.94 -1.25 -4.53 117.00 123.60 1buz n LEU 95 Ca 0.00 -2.17 0.30 0.00 -1.11 0.00 0.00 56.01 53.03 1buz n LEU 95 Cb 0.00 -0.43 0.63 0.00 0.53 0.00 0.00 43.42 44.16 1buz n LEU 95 CO 0.00 0.84 1.27 0.15 -1.11 0.00 0.00 177.39 178.54 1buz h PHE 96 N 3.31 0.35 0.00 1.96 3.04 -1.89 1.80 116.94 125.51 1buz h PHE 96 Ca 0.00 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1buz h PHE 96 Cb 1.04 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.44 1buz h PHE 96 CO 0.46 0.01 -0.06 0.87 -2.02 0.00 0.00 178.31 177.57 1buz h LYS 97 N 0.19 0.00 -0.00 1.11 1.57 -1.92 1.86 116.57 119.38 1buz h LYS 97 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1buz h LYS 97 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1buz h LYS 97 CO -0.17 0.06 -0.23 1.51 -0.57 0.00 0.00 179.45 180.05 1buz n ILE 98 N -3.84 0.00 0.14 1.86 0.00 0.61 -3.43 119.36 114.70 1buz n ILE 98 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 62.75 62.72 1buz n ILE 98 Cb 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 39.64 39.75 1buz n ILE 98 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1buz n ILE 99 N -1.22 0.00 -1.92 9.51 2.08 0.13 -4.93 119.36 123.01 1buz n ILE 99 Ca 0.10 -0.25 -0.03 0.00 0.56 0.00 0.00 62.75 63.13 1buz n ILE 99 Cb 0.32 0.68 0.00 0.00 -0.75 0.00 0.00 39.64 39.89 1buz n ILE 99 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1buz n ARG 100 N -1.42 -0.25 -3.43 0.38 0.63 0.59 -4.48 116.66 108.68 1buz n ARG 100 Ca 0.00 0.43 -0.21 0.00 -0.92 0.00 0.00 57.85 57.16 1buz n ARG 100 Cb 0.12 -0.57 -0.01 0.00 0.45 0.00 0.00 32.46 32.46 1buz n ARG 100 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1buz s PHE 101 N -0.54 2.39 0.00 -0.14 2.19 -1.26 -4.15 117.98 116.48 1buz s PHE 101 Ca 0.03 -0.56 0.00 0.00 0.33 0.00 0.00 56.93 56.73 1buz s PHE 101 Cb -0.00 -2.18 0.00 0.00 -1.31 0.00 0.00 43.02 39.53 1buz s PHE 101 CO 0.06 -0.37 0.00 -1.91 1.83 0.00 0.00 175.22 174.83 1buz n GLU 102 N -1.73 0.00 -3.29 10.12 0.00 -1.24 -5.05 120.64 119.45 1buz n GLU 102 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.13 1buz n GLU 102 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.01 1buz n GLU 102 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1buz s GLN 103 N 3.34 0.70 0.00 5.31 -0.21 -1.26 -4.27 119.66 123.27 1buz s GLN 103 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 54.88 1buz s GLN 103 Cb 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 33.01 33.70 1buz s GLN 103 CO 0.00 -1.18 0.00 0.45 -2.12 0.00 0.00 175.29 172.44 1buz n SER 104 N 4.42 0.00 -0.45 5.90 2.88 -1.26 -3.61 113.62 121.49 1buz n SER 104 Ca 0.10 0.00 0.35 0.00 -1.33 0.00 0.00 58.87 57.99 1buz n SER 104 Cb 0.51 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.51 1buz n SER 104 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1buz n GLU 105 N 0.00 -0.01 0.06 -1.46 2.13 -1.26 0.63 120.64 120.73 1buz n GLU 105 Ca 0.00 0.79 0.07 0.00 0.66 0.00 0.00 57.16 58.68 1buz n GLU 105 Cb 0.00 -1.74 0.32 0.00 0.27 0.00 0.00 31.44 30.29 1buz n GLU 105 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1buz n GLN 106 N -3.56 0.07 -0.49 5.31 7.27 -1.24 -3.27 117.38 121.47 1buz n GLN 106 Ca 0.30 0.42 0.37 0.00 0.07 0.00 0.00 57.00 58.16 1buz n GLN 106 Cb 1.32 -1.66 0.59 0.00 2.41 0.00 0.00 30.24 32.89 1buz n GLN 106 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1buz n GLN 107 N -1.79 -0.01 -0.08 3.69 7.27 2.78 0.49 117.38 129.74 1buz n GLN 107 Ca 0.01 0.84 -0.10 0.00 0.07 0.00 0.00 57.00 57.83 1buz n GLN 107 Cb 0.12 -1.86 -0.06 0.00 2.41 0.00 0.00 30.24 30.84 1buz n GLN 107 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1buz h ALA 108 N 0.86 0.08 0.00 1.69 0.00 -1.76 -3.34 119.26 116.78 1buz h ALA 108 Ca 0.69 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1buz h ALA 108 Cb 2.64 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 20.83 1buz h ALA 108 CO -0.10 0.39 -0.01 1.25 0.00 0.00 0.00 179.25 180.78 1buz h LEU 109 N -1.00 0.00 -1.13 0.00 6.46 0.11 -1.93 115.31 117.82 1buz h LEU 109 Ca -0.10 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.74 1buz h LEU 109 Cb 0.72 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.58 1buz h LEU 109 CO -0.06 0.01 0.60 0.25 -0.62 0.00 0.00 178.44 178.62 1buz h LEU 110 N 0.00 0.90 0.00 2.25 5.85 1.13 0.43 115.31 125.87 1buz h LEU 110 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1buz h LEU 110 Cb 0.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1buz h LEU 110 CO 0.00 0.55 0.02 0.41 -0.34 0.00 0.00 178.44 179.08 1buz n THR 111 N -4.52 0.20 0.00 1.05 -1.04 -0.72 -4.53 114.28 104.73 1buz n THR 111 Ca 0.15 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1buz n THR 111 Cb 0.25 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1buz n THR 111 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1buz n LEU 112 N -0.94 0.00 -2.37 -4.42 0.00 0.67 -4.35 117.00 105.59 1buz n LEU 112 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.94 1buz n LEU 112 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.43 1buz n LEU 112 CO 0.00 0.00 -0.09 0.61 0.00 0.00 0.00 177.39 177.91 1buz n GLY 113 N -1.83 -0.41 2.81 -3.96 0.00 0.12 -4.81 105.19 97.11 1buz n GLY 113 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1buz n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1buz s VAL 114 N -2.31 -0.84 0.00 1.61 1.01 -1.26 -5.05 120.40 113.56 1buz s VAL 114 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1buz s VAL 114 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.23 1buz s VAL 114 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 175.10 174.95 1buz n ALA 115 N 3.28 0.00 -0.63 5.51 0.00 -1.26 -5.07 120.51 122.34 1buz n ALA 115 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1buz n ALA 115 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1buz n ALA 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95