#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buj s VAL 2 N 0.00 3.24 0.06 0.00 -7.23 -1.26 -5.08 120.40 110.12 1buj s VAL 2 Ca 0.00 -0.54 -0.19 0.00 -1.81 0.00 0.00 61.98 59.45 1buj s VAL 2 Cb 0.00 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 1buj s VAL 2 CO 0.00 -0.16 0.55 -0.63 -0.31 0.00 0.00 175.10 174.55 1buj s ILE 3 N -2.72 4.79 -0.33 -0.62 1.01 -1.26 -4.95 121.20 117.13 1buj s ILE 3 Ca 0.54 1.17 0.13 0.00 0.00 0.00 0.00 60.65 62.48 1buj s ILE 3 Cb -0.10 -3.88 0.40 0.00 0.01 0.00 0.00 42.46 38.89 1buj s ILE 3 CO 0.39 0.54 1.52 -0.46 0.00 0.00 0.00 174.94 176.93 1buj n ASN 4 N 1.84 -1.37 -4.74 3.58 6.94 -1.26 -4.93 115.26 115.32 1buj n ASN 4 Ca -0.10 -2.21 -0.26 0.00 -0.02 0.00 0.00 54.58 51.98 1buj n ASN 4 Cb 0.51 0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 38.50 1buj n ASN 4 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1buj s THR 5 N 0.02 2.06 0.04 5.53 -4.23 -1.26 -1.67 115.64 116.12 1buj s THR 5 Ca 0.09 -1.76 -0.25 0.00 -1.18 0.00 0.00 61.69 58.59 1buj s THR 5 Cb 0.43 -2.81 -0.17 0.00 1.34 0.00 0.00 72.50 71.29 1buj s THR 5 CO -0.12 0.00 1.52 -0.26 -0.54 0.00 0.00 174.62 175.22 1buj h PHE 6 N 1.40 -0.12 -0.06 3.99 0.04 -1.97 -0.69 116.94 119.53 1buj h PHE 6 Ca -0.42 -0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.19 1buj h PHE 6 Cb 1.26 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 1buj h PHE 6 CO 0.79 0.09 -0.62 -0.44 -0.60 0.00 0.00 178.31 177.52 1buj h ASP 7 N -0.32 0.26 0.01 2.17 5.19 -1.98 -1.88 116.42 119.86 1buj h ASP 7 Ca -0.01 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1buj h ASP 7 Cb 0.27 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1buj h ASP 7 CO 0.02 0.81 -0.00 1.23 -3.12 0.00 0.00 179.24 178.18 1buj h GLY 8 N 1.52 -0.01 0.96 2.75 0.00 -1.95 -2.40 103.07 103.95 1buj h GLY 8 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1buj h GLY 8 CO 0.10 -0.00 0.58 -2.08 0.00 0.00 0.00 176.54 175.13 1buj h VAL 9 N -0.75 1.20 -0.95 4.60 2.07 -1.20 -2.19 116.25 119.03 1buj h VAL 9 Ca -0.00 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.22 1buj h VAL 9 Cb 0.72 -0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1buj h VAL 9 CO 0.00 0.21 0.61 0.00 0.02 0.00 0.00 177.57 178.42 1buj h ALA 10 N 1.34 1.56 -0.01 1.67 0.00 -1.28 -1.39 119.26 121.14 1buj h ALA 10 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1buj h ALA 10 Cb -0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1buj h ALA 10 CO -0.09 0.25 0.00 -0.44 0.00 0.00 0.00 179.25 178.97 1buj h ASP 11 N 0.98 0.02 -0.30 0.00 5.19 -0.87 -3.14 116.42 118.31 1buj h ASP 11 Ca 0.45 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 1buj h ASP 11 Cb 0.39 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 1buj h ASP 11 CO -0.21 0.21 0.17 1.88 -3.12 0.00 0.00 179.24 178.17 1buj h TYR 12 N -0.18 0.43 0.45 4.55 0.05 -0.98 0.09 116.97 121.38 1buj h TYR 12 Ca 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1buj h TYR 12 Cb 0.20 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1buj h TYR 12 CO -0.01 0.31 -0.35 -0.07 -1.05 0.00 0.00 178.16 176.99 1buj h LEU 13 N 0.45 -0.92 -1.41 3.88 3.38 -1.39 -0.50 115.31 118.80 1buj h LEU 13 Ca 0.12 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1buj h LEU 13 Cb 0.03 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1buj h LEU 13 CO -0.02 -0.52 0.28 0.40 0.09 0.00 0.00 178.44 178.68 1buj h ILE 14 N -0.79 1.15 0.25 1.22 5.03 -1.30 0.20 117.51 123.27 1buj h ILE 14 Ca -0.04 -0.36 -0.01 0.00 -0.12 0.00 0.00 64.86 64.32 1buj h ILE 14 Cb 0.68 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 34.94 1buj h ILE 14 CO -0.00 0.16 -0.12 -0.09 -0.68 0.00 0.00 178.15 177.42 1buj h ARG 15 N 0.69 -0.32 -0.02 2.37 2.43 -0.40 -3.36 114.38 115.76 1buj h ARG 15 Ca 0.18 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1buj h ARG 15 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1buj h ARG 15 CO -0.03 -0.22 -0.11 0.66 -1.51 0.00 0.00 179.97 178.77 1buj n TYR 16 N -3.17 0.00 -2.61 2.20 4.01 -0.25 -4.94 117.16 112.39 1buj n TYR 16 Ca -0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.57 1buj n TYR 16 Cb 0.13 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.18 1buj n TYR 16 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1buj n LYS 17 N 0.81 -2.52 -3.78 -0.72 4.81 0.69 -4.99 118.16 112.46 1buj n LYS 17 Ca 0.11 0.54 -0.04 0.00 -0.87 0.00 0.00 58.31 58.05 1buj n LYS 17 Cb 0.47 -4.64 -0.01 0.00 0.02 0.00 0.00 35.03 30.87 1buj n LYS 17 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1buj s ARG 18 N -5.10 1.31 1.00 1.64 1.70 -1.19 -5.04 118.95 113.27 1buj s ARG 18 Ca 0.14 -0.74 -0.11 0.00 -0.47 0.00 0.00 55.73 54.55 1buj s ARG 18 Cb -0.06 0.44 0.19 0.00 -0.57 0.00 0.00 34.95 34.94 1buj s ARG 18 CO 0.18 -0.60 1.10 -0.51 -1.08 0.00 0.00 175.30 174.38 1buj s LEU 19 N -2.98 2.09 0.93 -1.89 1.43 -1.26 -3.37 118.68 113.63 1buj s LEU 19 Ca 0.13 1.89 -0.13 0.00 -1.03 0.00 0.00 54.13 54.99 1buj s LEU 19 Cb -0.02 -4.11 0.15 0.00 0.03 0.00 0.00 46.19 42.23 1buj s LEU 19 CO 0.03 -3.42 1.14 -2.16 0.23 0.00 0.00 176.35 172.18 1buj s PRO 20 N -4.61 1.00 0.00 1.29 0.04 -1.26 -4.93 135.00 126.52 1buj s PRO 20 Ca 0.67 0.24 0.24 0.00 0.04 0.00 0.00 61.00 62.19 1buj s PRO 20 Cb -0.23 -1.83 1.09 0.00 0.04 0.00 0.00 34.50 33.57 1buj s PRO 20 CO 0.60 -2.28 1.74 -3.47 0.04 0.00 0.00 177.00 173.63 1buj n ASP 21 N -3.82 0.95 -0.01 6.66 2.03 -1.26 -3.09 116.55 118.01 1buj n ASP 21 Ca 0.07 -1.48 0.15 0.00 0.52 0.00 0.00 54.79 54.06 1buj n ASP 21 Cb 0.59 -0.04 0.80 0.00 -0.72 0.00 0.00 41.12 41.75 1buj n ASP 21 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1buj n ASN 22 N -0.19 0.05 -4.11 1.67 6.94 -1.26 -4.61 115.26 113.74 1buj n ASN 22 Ca 0.17 -0.42 -0.33 0.00 -0.02 0.00 0.00 54.58 53.99 1buj n ASN 22 Cb 0.24 -0.19 -0.16 0.00 -2.36 0.00 0.00 39.78 37.30 1buj n ASN 22 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1buj s TYR 23 N -2.41 2.73 0.37 -2.53 2.02 -1.18 -0.72 117.35 115.64 1buj s TYR 23 Ca 0.34 -1.61 0.06 0.00 -0.37 0.00 0.00 57.07 55.49 1buj s TYR 23 Cb 0.21 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1buj s TYR 23 CO 0.44 -0.80 0.52 0.96 -1.57 0.00 0.00 175.55 175.10 1buj s ILE 24 N 1.30 3.76 0.67 2.71 -4.36 -0.82 -4.73 121.20 119.73 1buj s ILE 24 Ca 0.05 -0.95 -0.06 0.00 -0.26 0.00 0.00 60.65 59.43 1buj s ILE 24 Cb -0.13 -3.30 0.04 0.00 1.25 0.00 0.00 42.46 40.32 1buj s ILE 24 CO -0.13 -0.13 0.98 0.42 0.24 0.00 0.00 174.94 176.33 1buj s THR 25 N -2.27 2.72 0.25 8.37 -4.23 -1.23 -0.87 115.64 118.39 1buj s THR 25 Ca 0.48 -0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1buj s THR 25 Cb -0.10 -3.15 0.23 0.00 1.34 0.00 0.00 72.50 70.82 1buj s THR 25 CO 0.32 -0.16 1.83 0.11 -0.54 0.00 0.00 174.62 176.19 1buj h LYS 26 N -0.47 0.89 -0.89 3.99 1.57 -1.95 -2.48 116.57 117.23 1buj h LYS 26 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1buj h LYS 26 Cb 1.30 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1buj h LYS 26 CO 0.60 0.59 0.57 0.77 -0.57 0.00 0.00 179.45 181.41 1buj h SER 27 N 0.92 1.04 -0.13 0.86 0.02 -1.99 0.12 113.55 114.39 1buj h SER 27 Ca 0.41 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.24 1buj h SER 27 Cb 0.31 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1buj h SER 27 CO -0.22 0.78 -0.22 1.56 -1.14 0.00 0.00 176.83 177.59 1buj h GLN 28 N 1.22 0.39 -0.86 3.45 1.08 -1.84 -1.48 115.11 117.07 1buj h GLN 28 Ca 0.32 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1buj h GLN 28 Cb -0.10 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 1buj h GLN 28 CO -0.07 0.82 0.51 0.00 -0.95 0.00 0.00 178.83 179.14 1buj h ALA 29 N 0.56 1.09 -0.43 3.87 0.00 -1.14 -2.55 119.26 120.66 1buj h ALA 29 Ca 0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1buj h ALA 29 Cb 0.79 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1buj h ALA 29 CO 0.05 0.56 -0.32 0.77 0.00 0.00 0.00 179.25 180.31 1buj h SER 30 N 1.18 1.02 -0.90 0.00 0.02 -0.67 -0.25 113.55 113.94 1buj h SER 30 Ca 0.31 -0.44 0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1buj h SER 30 Cb -0.03 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.16 1buj h SER 30 CO -0.06 1.24 0.59 0.00 -1.14 0.00 0.00 176.83 177.46 1buj h ALA 31 N 0.81 1.53 0.00 3.77 0.00 -1.06 0.27 119.26 124.58 1buj h ALA 31 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1buj h ALA 31 Cb 0.91 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1buj h ALA 31 CO 0.08 0.32 -0.12 -0.07 0.00 0.00 0.00 179.25 179.47 1buj h LEU 32 N 1.00 0.00 0.00 0.00 3.38 -0.96 -3.46 115.31 115.26 1buj h LEU 32 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1buj h LEU 32 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1buj h LEU 32 CO -0.15 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1buj n GLY 33 N 0.57 1.61 3.74 0.83 0.00 0.08 -4.96 105.19 107.06 1buj n GLY 33 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1buj n GLY 33 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1buj s TRP 34 N -2.00 2.91 -0.18 1.61 -0.00 -0.22 -4.91 118.94 116.16 1buj s TRP 34 Ca 0.00 0.75 0.07 0.00 -0.00 0.00 0.00 56.10 56.92 1buj s TRP 34 Cb 0.00 -3.98 -0.16 0.00 -0.00 0.00 0.00 33.47 29.33 1buj s TRP 34 CO 0.00 -3.41 -0.07 0.28 -0.00 0.00 0.00 176.95 173.75 1buj n VAL 35 N 2.88 1.09 0.00 5.86 0.31 -1.20 -4.33 118.33 122.93 1buj n VAL 35 Ca 0.10 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1buj n VAL 35 Cb 0.38 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1buj n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1buj n ALA 36 N -2.83 0.00 -0.00 3.52 0.00 -1.12 -4.41 120.51 115.66 1buj n ALA 36 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 1buj n ALA 36 Cb 0.93 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.30 1buj n ALA 36 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1buj h SER 37 N 0.00 0.05 -1.84 0.00 0.02 -2.02 -3.43 113.55 106.33 1buj h SER 37 Ca 0.00 -0.31 -0.27 0.00 -0.84 0.00 0.00 61.79 60.37 1buj h SER 37 Cb 0.00 -0.01 -0.30 0.00 0.14 0.00 0.00 62.40 62.23 1buj h SER 37 CO 0.00 0.34 -0.61 -0.75 -1.14 0.00 0.00 176.83 174.68 1buj s LYS 38 N -4.97 0.50 0.00 3.45 2.20 -1.26 -5.01 119.74 114.65 1buj s LYS 38 Ca -0.15 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1buj s LYS 38 Cb 0.04 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.86 1buj s LYS 38 CO 0.68 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1buj n GLY 39 N 4.89 1.78 3.78 5.54 0.00 -1.26 -4.68 105.19 115.25 1buj n GLY 39 Ca 0.04 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1buj n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj s ASN 40 N 0.00 3.56 -0.04 1.61 4.22 -1.26 -2.78 114.94 120.24 1buj s ASN 40 Ca 0.00 1.01 -0.12 0.00 -2.14 0.00 0.00 52.86 51.61 1buj s ASN 40 Cb 0.00 -1.61 -0.07 0.00 1.28 0.00 0.00 41.25 40.86 1buj s ASN 40 CO 0.00 -2.53 0.52 0.25 -2.04 0.00 0.00 177.10 173.30 1buj h LEU 41 N -1.48 -0.36 -2.34 3.54 5.85 -1.92 -3.26 115.31 115.34 1buj h LEU 41 Ca -0.50 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.26 1buj h LEU 41 Cb 1.33 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1buj h LEU 41 CO 0.61 0.05 0.17 0.00 -0.34 0.00 0.00 178.44 178.94 1buj h ALA 42 N -1.19 1.58 -0.03 1.25 0.00 -1.90 0.35 119.26 119.32 1buj h ALA 42 Ca -0.04 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1buj h ALA 42 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1buj h ALA 42 CO 0.07 -0.23 -0.01 1.49 0.00 0.00 0.00 179.25 180.57 1buj h GLU 43 N 0.00 -0.00 0.05 0.00 4.57 -1.96 -3.23 114.58 114.02 1buj h GLU 43 Ca 0.05 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.88 1buj h GLU 43 Cb 0.40 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 1buj h GLU 43 CO -0.00 -0.00 -2.02 0.28 -1.18 0.00 0.00 179.01 176.08 1buj n VAL 44 N -5.11 1.63 -3.56 0.32 0.31 1.00 -4.75 118.33 108.16 1buj n VAL 44 Ca -0.06 -0.47 -0.29 0.00 -0.01 0.00 0.00 64.34 63.51 1buj n VAL 44 Cb 0.05 -1.75 -0.12 0.00 -0.91 0.00 0.00 33.84 31.11 1buj n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1buj s ALA 45 N -2.50 1.66 0.78 3.52 0.00 0.11 -4.98 121.76 120.35 1buj s ALA 45 Ca -0.29 -2.40 -0.11 0.00 0.00 0.00 0.00 51.96 49.16 1buj s ALA 45 Cb 0.08 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.52 1buj s ALA 45 CO 0.66 -2.06 1.09 -1.25 0.00 0.00 0.00 175.76 174.20 1buj s PRO 46 N 0.40 2.27 0.00 0.00 0.04 -1.22 -4.28 135.00 132.20 1buj s PRO 46 Ca 0.22 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1buj s PRO 46 Cb -0.16 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1buj s PRO 46 CO -0.06 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 175.89 1buj n GLY 47 N -2.08 0.71 3.16 0.56 0.00 -1.26 -4.99 105.19 101.28 1buj n GLY 47 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1buj n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj s LYS 48 N -0.74 0.74 0.12 1.61 3.01 -1.26 -4.86 119.74 118.36 1buj s LYS 48 Ca 0.00 -1.06 0.01 0.00 -1.01 0.00 0.00 55.97 53.91 1buj s LYS 48 Cb 0.00 0.29 0.01 0.00 -1.01 0.00 0.00 37.83 37.12 1buj s LYS 48 CO 0.00 -0.20 0.11 0.43 0.51 0.00 0.00 175.35 176.20 1buj n SER 49 N 0.03 1.10 -4.84 2.83 7.64 0.10 -4.87 113.62 115.61 1buj n SER 49 Ca -0.15 -1.38 -0.35 0.00 1.01 0.00 0.00 58.87 58.00 1buj n SER 49 Cb 0.62 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.73 1buj n SER 49 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1buj s ILE 50 N -0.34 4.77 0.00 0.44 -1.09 -1.26 -1.94 121.20 121.78 1buj s ILE 50 Ca 0.08 0.95 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1buj s ILE 50 Cb -0.01 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1buj s ILE 50 CO 0.05 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1buj n GLY 51 N 0.72 0.49 0.96 6.18 0.00 -0.05 -1.99 105.19 111.50 1buj n GLY 51 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1buj n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1buj n GLY 52 N -0.05 0.75 3.95 -0.02 0.00 -0.73 -3.56 105.19 105.54 1buj n GLY 52 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1buj n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1buj s ASP 53 N -2.07 6.33 0.30 1.61 1.11 -1.20 -4.90 116.67 117.84 1buj s ASP 53 Ca 0.00 0.14 -0.26 0.00 0.18 0.00 0.00 52.55 52.61 1buj s ASP 53 Cb 0.00 -1.89 -0.10 0.00 1.07 0.00 0.00 42.92 42.00 1buj s ASP 53 CO 0.00 0.01 0.92 -0.69 1.18 0.00 0.00 175.17 176.58 1buj s VAL 54 N -1.83 4.24 -0.06 -1.27 1.01 -1.26 -0.70 120.40 120.53 1buj s VAL 54 Ca 0.34 1.79 0.20 0.00 0.00 0.00 0.00 61.98 64.31 1buj s VAL 54 Cb -0.10 -4.03 -0.30 0.00 0.00 0.00 0.00 36.38 31.95 1buj s VAL 54 CO 0.29 0.19 0.38 0.33 0.00 0.00 0.00 175.10 176.28 1buj n PHE 55 N 0.68 0.00 0.00 5.22 7.35 -1.09 -4.68 117.46 124.95 1buj n PHE 55 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1buj n PHE 55 Cb 0.50 -0.56 0.00 0.00 0.35 0.00 0.00 39.48 39.77 1buj n PHE 55 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1buj n SER 56 N -2.31 0.00 -0.79 -2.13 2.88 -1.26 -4.93 113.62 105.08 1buj n SER 56 Ca -0.09 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.48 1buj n SER 56 Cb 0.65 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.10 1buj n SER 56 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1buj n ASN 57 N 2.95 -4.75 -3.16 -3.46 5.15 -1.26 -4.81 115.26 105.92 1buj n ASN 57 Ca 0.00 0.25 -0.04 0.00 -0.60 0.00 0.00 54.58 54.19 1buj n ASN 57 Cb 0.00 -0.70 0.01 0.00 -0.53 0.00 0.00 39.78 38.56 1buj n ASN 57 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1buj n ARG 58 N -1.86 -1.42 0.10 1.20 5.12 -1.26 -4.92 116.66 113.61 1buj n ARG 58 Ca 0.00 1.35 0.00 0.00 -1.93 0.00 0.00 57.85 57.27 1buj n ARG 58 Cb 0.11 -5.40 0.00 0.00 -1.16 0.00 0.00 32.46 26.00 1buj n ARG 58 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1buj n GLU 59 N -2.04 0.00 0.00 5.56 4.07 -1.26 -5.03 120.64 121.94 1buj n GLU 59 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1buj n GLU 59 Cb 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.91 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1buj n GLY 60 N -0.29 0.00 0.00 8.31 0.00 -1.26 -5.10 105.19 106.85 1buj n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1buj n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj n ARG 61 N 0.00 0.00 -4.19 1.61 3.00 -1.26 -5.10 116.66 110.72 1buj n ARG 61 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.85 57.57 1buj n ARG 61 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 1buj n ARG 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1buj s LEU 62 N -1.73 3.37 1.12 0.55 1.43 -1.26 -5.02 118.68 117.14 1buj s LEU 62 Ca 0.00 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 1buj s LEU 62 Cb 0.00 -2.02 0.27 0.00 0.03 0.00 0.00 46.19 44.46 1buj s LEU 62 CO 0.00 0.09 1.24 -2.16 0.23 0.00 0.00 176.35 175.75 1buj s PRO 63 N -2.92 -0.64 0.23 1.29 0.04 -1.26 -4.44 135.00 127.30 1buj s PRO 63 Ca 0.28 -0.38 -0.09 0.00 0.04 0.00 0.00 61.00 60.84 1buj s PRO 63 Cb -0.09 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1buj s PRO 63 CO 0.19 -3.27 0.38 -1.54 0.04 0.00 0.00 177.00 172.80 1buj s SER 64 N -4.50 -0.02 -0.35 6.66 1.04 -1.26 -4.92 113.70 110.34 1buj s SER 64 Ca 0.75 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 56.15 1buj s SER 64 Cb -0.05 0.53 0.16 0.00 0.10 0.00 0.00 66.02 66.76 1buj s SER 64 CO 0.55 -1.05 0.43 0.00 0.98 0.00 0.00 173.24 174.14 1buj s ALA 65 N -4.06 -1.00 -1.23 5.32 0.00 -1.26 -4.93 121.76 114.61 1buj s ALA 65 Ca 0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1buj s ALA 65 Cb 0.02 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.97 1buj s ALA 65 CO 0.10 -2.01 0.89 0.45 0.00 0.00 0.00 175.76 175.19 1buj n SER 66 N 4.67 -1.98 -0.58 0.00 2.88 -1.26 -3.28 113.62 114.06 1buj n SER 66 Ca 0.07 -0.69 -0.00 0.00 -1.33 0.00 0.00 58.87 56.92 1buj n SER 66 Cb 0.48 -4.76 0.00 0.00 -0.75 0.00 0.00 64.21 59.18 1buj n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1buj n GLY 67 N -1.29 0.88 3.70 0.46 0.00 -1.26 -5.01 105.19 102.66 1buj n GLY 67 Ca -0.28 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1buj n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1buj s ARG 68 N -4.86 4.46 0.27 1.61 3.52 -1.21 -5.04 118.95 117.71 1buj s ARG 68 Ca 0.00 1.32 -0.01 0.00 -0.13 0.00 0.00 55.73 56.91 1buj s ARG 68 Cb -0.00 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 1buj s ARG 68 CO 0.00 -0.19 0.49 0.99 -0.81 0.00 0.00 175.30 175.78 1buj s THR 69 N 1.57 5.12 0.14 4.11 2.01 -1.26 -4.70 115.64 122.63 1buj s THR 69 Ca 0.48 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.26 1buj s THR 69 Cb -0.19 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1buj s THR 69 CO 0.21 -0.34 -0.17 0.26 -0.69 0.00 0.00 174.62 173.89 1buj s TRP 70 N -2.07 1.67 0.03 4.92 0.52 -1.26 -2.00 118.94 120.74 1buj s TRP 70 Ca 0.40 -0.48 0.00 0.00 0.02 0.00 0.00 56.10 56.04 1buj s TRP 70 Cb -0.10 -0.86 -0.02 0.00 -1.15 0.00 0.00 33.47 31.33 1buj s TRP 70 CO 0.31 0.25 -0.04 1.03 0.02 0.00 0.00 176.95 178.52 1buj s ARG 71 N -2.57 0.36 0.34 4.98 0.52 -0.85 -2.65 118.95 119.08 1buj s ARG 71 Ca 0.12 -0.64 0.08 0.00 -0.52 0.00 0.00 55.73 54.76 1buj s ARG 71 Cb -0.06 0.02 -0.03 0.00 0.52 0.00 0.00 34.95 35.39 1buj s ARG 71 CO 0.05 -0.03 0.25 -1.83 0.02 0.00 0.00 175.30 173.76 1buj s GLU 72 N -1.49 2.62 -0.02 3.54 4.04 0.12 -1.73 118.70 125.78 1buj s GLU 72 Ca -0.15 -1.36 -0.29 0.00 0.04 0.00 0.00 54.97 53.21 1buj s GLU 72 Cb -0.10 -2.39 0.07 0.00 0.02 0.00 0.00 34.13 31.73 1buj s GLU 72 CO -0.01 0.11 0.64 0.00 -1.84 0.00 0.00 175.26 174.16 1buj s ALA 73 N -2.34 -1.68 0.23 -0.84 0.00 -0.42 -1.78 121.76 114.94 1buj s ALA 73 Ca 0.40 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1buj s ALA 73 Cb -0.05 0.13 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1buj s ALA 73 CO 0.25 -0.42 0.96 -0.51 0.00 0.00 0.00 175.76 176.05 1buj s ASP 74 N -1.43 7.58 -0.17 0.00 1.01 -0.84 -1.11 116.67 121.71 1buj s ASP 74 Ca -0.09 1.97 -0.02 0.00 0.71 0.00 0.00 52.55 55.12 1buj s ASP 74 Cb -0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1buj s ASP 74 CO 0.06 0.09 -0.10 -0.63 0.21 0.00 0.00 175.17 174.81 1buj s ILE 75 N -1.03 3.11 0.30 0.77 -1.09 -0.61 -4.81 121.20 117.84 1buj s ILE 75 Ca 0.42 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 1buj s ILE 75 Cb -0.26 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 1buj s ILE 75 CO 0.33 0.48 0.00 0.59 -1.23 0.00 0.00 174.94 175.11 1buj n ASN 76 N 4.15 -9.13 -3.37 3.58 5.03 -0.67 -4.59 115.26 110.26 1buj n ASN 76 Ca -0.18 1.34 -0.22 0.00 0.87 0.00 0.00 54.58 56.38 1buj n ASN 76 Cb 0.52 -4.97 -0.09 0.00 -1.02 0.00 0.00 39.78 34.22 1buj n ASN 76 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1buj s TYR 77 N -1.36 0.26 -0.16 3.10 6.14 -1.26 -4.84 117.35 119.23 1buj s TYR 77 Ca 0.00 -1.41 -0.00 0.00 0.64 0.00 0.00 57.07 56.30 1buj s TYR 77 Cb 0.00 -0.64 -0.10 0.00 0.42 0.00 0.00 41.96 41.64 1buj s TYR 77 CO 0.00 -0.91 -0.15 0.28 0.64 0.00 0.00 175.55 175.40 1buj n VAL 78 N 3.79 0.92 -0.49 3.14 0.31 -1.26 -4.97 118.33 119.77 1buj n VAL 78 Ca 0.16 -0.33 -0.29 0.00 -0.01 0.00 0.00 64.34 63.87 1buj n VAL 78 Cb 0.44 -1.18 0.27 0.00 -0.91 0.00 0.00 33.84 32.46 1buj n VAL 78 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1buj s SER 79 N -5.71 0.09 0.00 4.52 0.01 -1.26 -5.03 113.70 106.31 1buj s SER 79 Ca -0.22 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1buj s SER 79 Cb 0.06 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1buj s SER 79 CO 0.36 -4.71 0.00 0.61 0.41 0.00 0.00 173.24 169.91 1buj n GLY 80 N 0.99 -0.70 3.34 3.44 0.00 -1.26 -4.93 105.19 106.08 1buj n GLY 80 Ca 0.07 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1buj n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1buj s PHE 81 N 0.00 0.12 0.06 1.61 0.08 -1.26 -4.66 117.98 113.92 1buj s PHE 81 Ca 0.00 0.85 -0.31 0.00 0.12 0.00 0.00 56.93 57.60 1buj s PHE 81 Cb 0.00 -2.92 -0.06 0.00 -0.57 0.00 0.00 43.02 39.47 1buj s PHE 81 CO 0.00 -4.69 1.28 1.03 -0.10 0.00 0.00 175.22 172.74 1buj s ARG 82 N -4.72 4.37 0.48 0.44 0.52 -1.26 -4.97 118.95 113.81 1buj s ARG 82 Ca 0.69 1.87 -0.03 0.00 -0.52 0.00 0.00 55.73 57.74 1buj s ARG 82 Cb -0.19 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 1buj s ARG 82 CO 0.62 -0.37 0.75 0.54 0.02 0.00 0.00 175.30 176.87 1buj s ASN 83 N 1.22 5.99 0.30 0.23 2.20 -1.26 -4.98 114.94 118.63 1buj s ASN 83 Ca 0.61 0.65 0.23 0.00 -0.94 0.00 0.00 52.86 53.41 1buj s ASN 83 Cb -0.31 -1.90 0.27 0.00 -2.00 0.00 0.00 41.25 37.30 1buj s ASN 83 CO 0.29 -0.69 1.40 0.00 -2.94 0.00 0.00 177.10 175.15 1buj h ALA 84 N 0.24 0.78 -1.64 3.54 0.00 -1.94 -3.43 119.26 116.82 1buj h ALA 84 Ca -0.47 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.92 1buj h ALA 84 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1buj h ALA 84 CO 0.60 0.00 1.33 -0.51 0.00 0.00 0.00 179.25 180.68 1buj s ASP 85 N -5.54 5.48 0.08 0.00 1.11 -1.26 -4.12 116.67 112.42 1buj s ASP 85 Ca 0.05 0.73 -0.03 0.00 0.18 0.00 0.00 52.55 53.48 1buj s ASP 85 Cb 0.08 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.52 1buj s ASP 85 CO 0.71 -2.14 0.06 -0.13 1.18 0.00 0.00 175.17 174.85 1buj s ARG 86 N 6.55 0.77 -0.07 8.23 0.52 -0.22 -1.58 118.95 133.16 1buj s ARG 86 Ca 0.73 -1.20 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 1buj s ARG 86 Cb -0.16 0.26 0.02 0.00 0.52 0.00 0.00 34.95 35.58 1buj s ARG 86 CO 0.26 -0.20 -0.11 -1.17 0.02 0.00 0.00 175.30 174.10 1buj s LEU 87 N -2.94 1.55 -0.11 2.53 0.20 -0.26 -1.26 118.68 118.40 1buj s LEU 87 Ca 0.11 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.68 1buj s LEU 87 Cb 0.07 -0.78 0.01 0.00 -0.43 0.00 0.00 46.19 45.06 1buj s LEU 87 CO -0.07 0.01 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.10 1buj s VAL 88 N 0.81 1.86 0.05 1.68 1.01 -0.16 -1.30 120.40 124.35 1buj s VAL 88 Ca -0.12 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.03 1buj s VAL 88 Cb -0.15 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1buj s VAL 88 CO 0.02 0.51 -0.16 -0.72 0.00 0.00 0.00 175.10 174.76 1buj s TYR 89 N 0.59 1.35 0.73 5.22 -0.85 -0.70 -1.13 117.35 122.55 1buj s TYR 89 Ca -0.14 -0.38 -0.01 0.00 -0.52 0.00 0.00 57.07 56.03 1buj s TYR 89 Cb -0.17 -0.79 0.13 0.00 0.38 0.00 0.00 41.96 41.52 1buj s TYR 89 CO 0.04 0.06 1.01 -1.54 -1.52 0.00 0.00 175.55 173.60 1buj s SER 90 N -1.29 4.28 0.15 -0.18 1.04 -0.63 -2.00 113.70 115.07 1buj s SER 90 Ca 0.02 -0.39 -0.10 0.00 0.48 0.00 0.00 55.95 55.96 1buj s SER 90 Cb -0.08 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 1buj s SER 90 CO 0.02 -1.91 1.47 0.28 0.98 0.00 0.00 173.24 174.08 1buj h SER 91 N -0.57 0.98 -0.49 7.02 0.02 -1.74 -2.24 113.55 116.54 1buj h SER 91 Ca -0.36 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1buj h SER 91 Cb 1.26 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1buj h SER 91 CO 0.39 1.26 0.00 -0.90 -1.14 0.00 0.00 176.83 176.44 1buj n ASP 92 N -4.05 3.05 -1.82 3.07 5.68 -1.26 -4.92 116.55 116.31 1buj n ASP 92 Ca -0.02 -2.14 -0.06 0.00 -0.50 0.00 0.00 54.79 52.07 1buj n ASP 92 Cb 0.56 -0.40 0.03 0.00 -1.14 0.00 0.00 41.12 40.17 1buj n ASP 92 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1buj n TRP 93 N 0.87 -0.76 -3.69 2.11 7.02 -0.84 -5.02 117.44 117.12 1buj n TRP 93 Ca 0.17 0.32 -0.36 0.00 -1.02 0.00 0.00 57.50 56.61 1buj n TRP 93 Cb 0.53 -3.03 -0.09 0.00 -2.42 0.00 0.00 31.31 26.30 1buj n TRP 93 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1buj s LEU 94 N -3.48 4.09 0.03 -0.99 1.02 -1.26 -4.89 118.68 113.20 1buj s LEU 94 Ca 0.01 0.12 0.06 0.00 0.02 0.00 0.00 54.13 54.34 1buj s LEU 94 Cb -0.00 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.08 1buj s LEU 94 CO 0.25 0.08 -0.17 -0.63 0.02 0.00 0.00 176.35 175.90 1buj s ILE 95 N 0.95 2.86 -0.03 -0.59 1.01 -1.26 -1.60 121.20 122.53 1buj s ILE 95 Ca 0.07 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 1buj s ILE 95 Cb -0.13 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.15 1buj s ILE 95 CO 0.03 0.37 0.10 -0.31 0.00 0.00 0.00 174.94 175.14 1buj s TYR 96 N -0.90 -0.09 0.32 3.97 1.51 -0.28 -3.35 117.35 118.52 1buj s TYR 96 Ca 0.14 0.23 0.07 0.00 -1.01 0.00 0.00 57.07 56.51 1buj s TYR 96 Cb -0.11 0.03 -0.02 0.00 -0.11 0.00 0.00 41.96 41.75 1buj s TYR 96 CO 0.05 -0.07 0.33 -1.59 -1.11 0.00 0.00 175.55 173.16 1buj s LYS 97 N -0.07 2.88 0.02 -0.62 0.00 -0.28 -0.99 119.74 120.68 1buj s LYS 97 Ca -0.01 -1.17 -0.20 0.00 0.00 0.00 0.00 55.97 54.59 1buj s LYS 97 Cb -0.01 -2.60 0.04 0.00 0.00 0.00 0.00 37.83 35.26 1buj s LYS 97 CO 0.00 0.13 0.44 -0.08 0.00 0.00 0.00 175.35 175.84 1buj s THR 98 N -2.24 0.05 0.00 3.79 -1.32 -0.39 -2.52 115.64 113.01 1buj s THR 98 Ca 0.41 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1buj s THR 98 Cb -0.07 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1buj s THR 98 CO 0.28 -0.20 0.36 0.35 -2.21 0.00 0.00 174.62 173.19 1buj n THR 99 N 0.71 0.00 -0.54 5.08 -2.24 -1.26 -1.05 114.28 114.98 1buj n THR 99 Ca -0.19 -0.45 0.06 0.00 -2.27 0.00 0.00 64.05 61.19 1buj n THR 99 Cb 0.59 1.08 0.13 0.00 -2.10 0.00 0.00 70.33 70.02 1buj n THR 99 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1buj n ASP 100 N -0.19 2.71 -3.11 3.42 5.68 -1.26 -4.31 116.55 119.49 1buj n ASP 100 Ca 0.00 -2.51 -0.03 0.00 -0.50 0.00 0.00 54.79 51.75 1buj n ASP 100 Cb 0.02 -0.28 0.01 0.00 -1.14 0.00 0.00 41.12 39.73 1buj n ASP 100 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1buj n HIS 101 N -0.52 -2.88 -3.52 2.11 -0.00 -1.26 -3.69 115.22 105.47 1buj n HIS 101 Ca 0.11 1.08 -0.25 0.00 -0.00 0.00 0.00 57.72 58.67 1buj n HIS 101 Cb 0.53 -4.09 0.05 0.00 -0.00 0.00 0.00 29.99 26.48 1buj n HIS 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1buj n TYR 102 N -2.05 -2.44 -0.10 1.57 4.01 -1.26 -4.86 117.16 112.04 1buj n TYR 102 Ca -0.02 0.83 -0.13 0.00 -0.16 0.00 0.00 57.90 58.42 1buj n TYR 102 Cb 0.52 -4.49 -0.04 0.00 -0.31 0.00 0.00 39.34 35.02 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1buj n ALA 103 N -4.46 0.97 -3.40 -0.72 0.00 -1.24 -4.99 120.51 106.66 1buj n ALA 103 Ca -0.01 -0.87 -0.20 0.00 0.00 0.00 0.00 53.44 52.36 1buj n ALA 103 Cb 0.56 0.05 -0.16 0.00 0.00 0.00 0.00 19.45 19.91 1buj n ALA 103 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1buj s THR 104 N -2.82 0.61 0.22 0.00 -4.23 -1.26 -5.08 115.64 103.07 1buj s THR 104 Ca -0.31 -0.21 0.07 0.00 -1.18 0.00 0.00 61.69 60.07 1buj s THR 104 Cb 0.06 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 1buj s THR 104 CO 0.44 0.22 0.07 -0.36 -0.54 0.00 0.00 174.62 174.46 1buj s PHE 105 N 0.62 2.93 -0.02 3.99 0.08 -1.26 -4.69 117.98 119.63 1buj s PHE 105 Ca -0.09 -0.13 -0.00 0.00 0.12 0.00 0.00 56.93 56.83 1buj s PHE 105 Cb -0.12 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1buj s PHE 105 CO 0.01 0.54 0.03 0.99 -0.10 0.00 0.00 175.22 176.69 1buj s THR 106 N -1.99 -0.05 0.24 0.64 2.01 -1.05 -4.98 115.64 110.47 1buj s THR 106 Ca 0.30 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1buj s THR 106 Cb -0.08 -0.07 -0.09 0.00 0.01 0.00 0.00 72.50 72.26 1buj s THR 106 CO 0.21 0.07 1.21 0.00 -0.69 0.00 0.00 174.62 175.43 1buj s ARG 107 N 0.88 4.49 -0.05 4.92 1.70 -1.26 -1.13 118.95 128.50 1buj s ARG 107 Ca -0.07 1.95 0.06 0.00 -0.47 0.00 0.00 55.73 57.20 1buj s ARG 107 Cb -0.10 -3.19 -0.08 0.00 -0.57 0.00 0.00 34.95 31.00 1buj s ARG 107 CO -0.03 -0.05 0.05 0.44 -1.08 0.00 0.00 175.30 174.64 1buj n ILE 108 N 1.83 0.32 0.00 4.99 -0.00 -1.21 -4.92 119.36 120.36 1buj n ILE 108 Ca 0.02 -0.24 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 1buj n ILE 108 Cb 0.44 -0.53 0.00 0.00 -0.00 0.00 0.00 39.64 39.55 1buj n ILE 108 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44