#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 3.08 -0.30 0.00 -7.23 -1.26 -5.05 120.40 109.65 1buj s VAL 2 Ca 0.00 -0.56 -0.21 0.00 -1.81 0.00 0.00 61.98 59.41 1buj s VAL 2 Cb 0.00 -3.16 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 1buj s VAL 2 CO 0.00 -0.12 0.65 -0.63 -0.31 0.00 0.00 175.10 174.69 1buj s ILE 3 N -2.74 4.93 -0.29 -0.62 -1.09 -1.26 -4.86 121.20 115.27 1buj s ILE 3 Ca 0.55 0.93 0.12 0.00 -2.23 0.00 0.00 60.65 60.02 1buj s ILE 3 Cb -0.10 -4.01 0.36 0.00 -1.58 0.00 0.00 42.46 37.13 1buj s ILE 3 CO 0.39 -0.13 1.45 -0.46 -1.23 0.00 0.00 174.94 174.97 1buj n ASN 4 N 5.89 -1.27 -4.27 3.58 6.94 -1.26 -4.85 115.26 120.02 1buj n ASN 4 Ca -0.00 -2.18 -0.15 0.00 -0.02 0.00 0.00 54.58 52.22 1buj n ASN 4 Cb 0.49 0.58 -0.10 0.00 -2.36 0.00 0.00 39.78 38.39 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 -0.04 1.29 0.08 5.53 -4.23 -1.26 -2.05 115.64 114.96 1buj s THR 5 Ca 0.09 -2.07 -0.22 0.00 -1.18 0.00 0.00 61.69 58.31 1buj s THR 5 Cb 0.38 -1.86 -0.13 0.00 1.34 0.00 0.00 72.50 72.23 1buj s THR 5 CO -0.11 -0.70 1.66 -0.26 -0.54 0.00 0.00 174.62 174.67 1buj h PHE 6 N 2.79 0.12 0.00 3.99 0.04 -1.99 0.29 116.94 122.18 1buj h PHE 6 Ca -0.37 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.24 1buj h PHE 6 Cb 1.20 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 1buj h PHE 6 CO 0.66 0.18 -0.74 -0.44 -0.60 0.00 0.00 178.31 177.38 1buj h ASP 7 N 0.03 0.00 0.36 2.17 3.32 -1.97 -2.62 116.42 117.70 1buj h ASP 7 Ca 0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1buj h ASP 7 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1buj h ASP 7 CO -0.00 0.74 -0.17 1.23 -1.72 0.00 0.00 179.24 179.31 1buj h GLY 8 N 2.24 -0.50 1.00 2.75 0.00 -1.80 -0.26 103.07 106.51 1buj h GLY 8 Ca -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1buj h GLY 8 CO 0.10 -0.18 0.39 -2.08 0.00 0.00 0.00 176.54 174.76 1buj h VAL 9 N -0.76 1.19 -0.52 4.60 2.07 -1.07 -2.19 116.25 119.57 1buj h VAL 9 Ca -0.05 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1buj h VAL 9 Cb 0.51 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1buj h VAL 9 CO 0.08 0.20 0.35 0.00 0.02 0.00 0.00 177.57 178.22 1buj h ALA 10 N 1.20 2.02 -0.07 1.67 0.00 -1.27 -1.06 119.26 121.74 1buj h ALA 10 Ca 0.23 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 1buj h ALA 10 Cb -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1buj h ALA 10 CO -0.04 -0.13 -0.90 -0.44 0.00 0.00 0.00 179.25 177.73 1buj h ASP 11 N 0.36 0.89 0.30 0.00 5.19 -0.42 -3.10 116.42 119.64 1buj h ASP 11 Ca 0.24 -0.64 -0.11 0.00 -0.62 0.00 0.00 57.03 55.90 1buj h ASP 11 Cb 0.46 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1buj h ASP 11 CO -0.06 1.44 -0.44 1.88 -3.12 0.00 0.00 179.24 178.95 1buj h TYR 12 N 0.45 0.21 0.01 4.55 -1.99 -0.85 0.49 116.97 119.84 1buj h TYR 12 Ca -0.09 -0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.62 1buj h TYR 12 Cb 1.54 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 40.18 1buj h TYR 12 CO 0.09 0.59 -0.30 -0.07 -0.00 0.00 0.00 178.16 178.47 1buj h LEU 13 N 0.15 -0.89 -0.61 3.88 3.38 -1.19 -0.70 115.31 119.32 1buj h LEU 13 Ca 0.01 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1buj h LEU 13 Cb 0.84 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1buj h LEU 13 CO 0.06 -0.37 0.38 0.40 0.09 0.00 0.00 178.44 179.00 1buj h ILE 14 N -0.46 1.08 0.11 1.22 1.08 -1.27 -1.79 117.51 117.48 1buj h ILE 14 Ca 0.06 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1buj h ILE 14 Cb 0.54 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1buj h ILE 14 CO -0.25 0.14 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.21 1buj h ARG 15 N 0.74 -0.14 -0.01 2.37 2.43 -0.53 -3.33 114.38 115.91 1buj h ARG 15 Ca 0.25 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1buj h ARG 15 Cb 0.02 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1buj h ARG 15 CO -0.10 -0.10 -0.07 0.66 -1.51 0.00 0.00 179.97 178.85 1buj n TYR 16 N -4.03 0.00 -2.77 2.20 4.01 -0.30 -4.91 117.16 111.36 1buj n TYR 16 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1buj n TYR 16 Cb 0.06 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.08 1buj n TYR 16 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1buj n LYS 17 N 0.01 -3.41 -3.71 -0.72 4.76 -0.68 -4.98 118.16 109.43 1buj n LYS 17 Ca 0.17 0.66 -0.01 0.00 -2.87 0.00 0.00 58.31 56.26 1buj n LYS 17 Cb 0.36 -5.00 -0.01 0.00 -1.84 0.00 0.00 35.03 28.55 1buj n LYS 17 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1buj s ARG 18 N -5.33 0.81 1.07 1.97 1.70 -1.18 -5.03 118.95 112.95 1buj s ARG 18 Ca 0.21 -0.46 -0.14 0.00 -0.47 0.00 0.00 55.73 54.87 1buj s ARG 18 Cb -0.09 0.27 0.16 0.00 -0.57 0.00 0.00 34.95 34.72 1buj s ARG 18 CO 0.25 -0.37 0.64 1.28 -1.08 0.00 0.00 175.30 176.03 1buj n LEU 19 N -0.51 -0.54 -4.81 -1.89 4.77 -1.26 -2.85 117.00 109.91 1buj n LEU 19 Ca -0.07 0.05 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 1buj n LEU 19 Cb 0.62 -1.21 0.09 0.00 -2.33 0.00 0.00 43.42 40.58 1buj n LEU 19 CO 0.13 -3.09 0.71 -2.16 -1.33 0.00 0.00 177.39 171.66 1buj s PRO 20 N -4.03 2.14 0.00 3.23 0.04 -1.26 -4.90 135.00 130.22 1buj s PRO 20 Ca 0.63 0.66 0.24 0.00 0.04 0.00 0.00 61.00 62.56 1buj s PRO 20 Cb -0.20 -1.92 0.83 0.00 0.04 0.00 0.00 34.50 33.25 1buj s PRO 20 CO 0.65 -1.58 1.61 -3.47 0.04 0.00 0.00 177.00 174.24 1buj n ASP 21 N -3.41 1.70 -0.01 6.66 2.03 -1.26 -3.23 116.55 119.04 1buj n ASP 21 Ca 0.07 -1.65 0.14 0.00 0.52 0.00 0.00 54.79 53.87 1buj n ASP 21 Cb 0.56 -0.07 0.65 0.00 -0.72 0.00 0.00 41.12 41.54 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 0.34 0.05 -4.54 1.67 6.94 -1.26 -4.61 115.26 113.84 1buj n ASN 22 Ca 0.17 0.18 -0.35 0.00 -0.02 0.00 0.00 54.58 54.56 1buj n ASN 22 Cb 0.36 -0.36 -0.11 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 -2.82 3.16 0.48 -2.53 2.02 -1.20 -2.54 117.35 113.92 1buj s TYR 23 Ca 0.20 -0.16 0.08 0.00 -0.37 0.00 0.00 57.07 56.82 1buj s TYR 23 Cb 0.19 -2.15 0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1buj s TYR 23 CO 0.51 -0.09 0.57 0.96 -1.57 0.00 0.00 175.55 175.92 1buj s ILE 24 N 0.97 2.49 0.59 2.71 -4.36 -0.51 -4.70 121.20 118.39 1buj s ILE 24 Ca 0.04 -1.15 -0.04 0.00 -0.26 0.00 0.00 60.65 59.24 1buj s ILE 24 Cb -0.14 -2.64 0.03 0.00 1.25 0.00 0.00 42.46 40.96 1buj s ILE 24 CO 0.03 0.00 0.88 0.42 0.24 0.00 0.00 174.94 176.51 1buj s THR 25 N -2.53 3.17 0.23 8.37 -4.23 -1.26 -0.88 115.64 118.51 1buj s THR 25 Ca 0.53 -0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 1buj s THR 25 Cb -0.06 -3.26 0.19 0.00 1.34 0.00 0.00 72.50 70.71 1buj s THR 25 CO 0.32 -0.24 1.83 0.11 -0.54 0.00 0.00 174.62 176.09 1buj h LYS 26 N -0.17 0.83 -0.72 3.99 1.57 -1.94 -1.95 116.57 118.19 1buj h LYS 26 Ca -0.45 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1buj h LYS 26 Cb 1.28 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1buj h LYS 26 CO 0.59 0.55 0.48 0.77 -0.57 0.00 0.00 179.45 181.26 1buj h SER 27 N 0.85 0.80 -0.03 0.86 0.02 -1.99 -0.17 113.55 113.90 1buj h SER 27 Ca 0.36 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.17 1buj h SER 27 Cb 0.22 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.57 1buj h SER 27 CO -0.19 0.56 -0.46 1.56 -1.14 0.00 0.00 176.83 177.17 1buj h GLN 28 N 0.93 0.35 -0.66 3.45 1.08 -1.76 -1.08 115.11 117.43 1buj h GLN 28 Ca 0.27 -0.35 0.11 0.00 -1.45 0.00 0.00 58.65 57.24 1buj h GLN 28 Cb -0.04 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.40 1buj h GLN 28 CO -0.07 1.02 0.23 0.00 -0.95 0.00 0.00 178.83 179.06 1buj h ALA 29 N 0.34 0.86 -0.70 3.87 0.00 -1.09 -1.30 119.26 121.23 1buj h ALA 29 Ca -0.05 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1buj h ALA 29 Cb 1.16 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1buj h ALA 29 CO 0.09 -0.22 0.16 0.77 0.00 0.00 0.00 179.25 180.04 1buj h SER 30 N 0.38 1.08 -0.66 0.00 0.02 -0.83 -0.74 113.55 112.81 1buj h SER 30 Ca 0.34 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1buj h SER 30 Cb 0.48 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1buj h SER 30 CO -0.36 1.04 0.35 0.00 -1.14 0.00 0.00 176.83 176.72 1buj h ALA 31 N 1.09 1.36 0.00 3.77 0.00 -0.58 -0.15 119.26 124.74 1buj h ALA 31 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1buj h ALA 31 Cb 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1buj h ALA 31 CO 0.01 0.52 0.00 -0.07 0.00 0.00 0.00 179.25 179.71 1buj h LEU 32 N 0.94 0.00 0.00 0.00 3.38 -0.22 -3.46 115.31 115.96 1buj h LEU 32 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1buj h LEU 32 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1buj h LEU 32 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1buj n GLY 33 N 0.36 1.48 3.76 0.83 0.00 -0.07 -4.93 105.19 106.62 1buj n GLY 33 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1buj n GLY 33 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1buj n TRP 34 N -0.51 2.63 -4.80 1.61 -0.00 -0.41 -4.97 117.44 110.98 1buj n TRP 34 Ca 0.00 0.43 -0.24 0.00 -0.00 0.00 0.00 57.50 57.69 1buj n TRP 34 Cb 0.00 -2.44 -0.15 0.00 -0.00 0.00 0.00 31.31 28.72 1buj n TRP 34 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1buj s VAL 35 N -1.21 1.37 -1.39 5.87 1.01 -1.25 -4.35 120.40 120.44 1buj s VAL 35 Ca 0.64 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1buj s VAL 35 Cb -0.44 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1buj s VAL 35 CO 0.55 0.36 2.73 0.00 0.00 0.00 0.00 175.10 178.75 1buj n ALA 36 N 2.59 7.16 0.04 5.51 0.00 -1.26 -3.61 120.51 130.94 1buj n ALA 36 Ca -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1buj n ALA 36 Cb 0.54 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.97 1buj n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1buj n SER 37 N 2.61 -0.64 -4.20 0.00 2.88 -1.26 -5.14 113.62 107.87 1buj n SER 37 Ca 0.69 0.24 -0.20 0.00 -1.33 0.00 0.00 58.87 58.27 1buj n SER 37 Cb 0.27 0.82 -0.12 0.00 -0.75 0.00 0.00 64.21 64.44 1buj n SER 37 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1buj s LYS 38 N -2.00 0.89 0.01 -1.46 1.02 -1.24 -5.01 119.74 111.95 1buj s LYS 38 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.99 1buj s LYS 38 Cb 0.00 -0.96 0.00 0.00 -0.52 0.00 0.00 37.83 36.35 1buj s LYS 38 CO 0.00 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 1buj n GLY 39 N 1.23 -3.64 3.71 -3.33 0.00 -1.26 -3.83 105.19 98.07 1buj n GLY 39 Ca -0.21 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.15 3.27 -0.01 1.61 4.22 -1.26 -4.38 114.94 118.24 1buj s ASN 40 Ca 0.00 1.44 -0.22 0.00 -2.14 0.00 0.00 52.86 51.94 1buj s ASN 40 Cb 0.00 -2.12 -0.13 0.00 1.28 0.00 0.00 41.25 40.28 1buj s ASN 40 CO 0.00 -2.76 0.93 0.25 -2.04 0.00 0.00 177.10 173.48 1buj h LEU 41 N -1.63 -0.59 -2.00 3.54 5.85 -1.86 -3.14 115.31 115.48 1buj h LEU 41 Ca -0.50 -0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.37 1buj h LEU 41 Cb 1.29 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1buj h LEU 41 CO 0.55 -0.19 0.46 0.00 -0.34 0.00 0.00 178.44 178.93 1buj h ALA 42 N -1.04 2.51 -0.11 1.25 0.00 -1.72 0.20 119.26 120.34 1buj h ALA 42 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1buj h ALA 42 Cb 0.58 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1buj h ALA 42 CO 0.12 -0.77 -0.03 1.49 0.00 0.00 0.00 179.25 180.06 1buj h GLU 43 N 0.00 -0.00 0.01 0.00 4.57 -1.88 -2.01 114.58 115.27 1buj h GLU 43 Ca 0.28 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.13 1buj h GLU 43 Cb 1.21 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.74 1buj h GLU 43 CO -0.00 -0.00 -2.05 0.28 -1.18 0.00 0.00 179.01 176.06 1buj n VAL 44 N -5.15 1.53 -3.70 0.32 0.31 0.49 -4.51 118.33 107.61 1buj n VAL 44 Ca -0.04 -0.79 -0.29 0.00 -0.01 0.00 0.00 64.34 63.21 1buj n VAL 44 Cb 0.09 -0.90 -0.12 0.00 -0.91 0.00 0.00 33.84 31.99 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 -2.55 2.38 0.45 3.52 0.00 0.02 -4.87 121.76 120.71 1buj s ALA 45 Ca -0.10 -2.84 -0.22 0.00 0.00 0.00 0.00 51.96 48.80 1buj s ALA 45 Cb 0.07 -1.90 -0.09 0.00 0.00 0.00 0.00 23.12 21.21 1buj s ALA 45 CO 0.81 -2.05 1.04 -1.25 0.00 0.00 0.00 175.76 174.31 1buj s PRO 46 N -0.07 3.93 0.00 0.00 0.04 -0.76 -3.06 135.00 135.08 1buj s PRO 46 Ca 0.22 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1buj s PRO 46 Cb -0.15 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1buj s PRO 46 CO -0.07 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1buj n GLY 47 N -0.03 0.91 2.97 0.56 0.00 -1.26 -4.95 105.19 103.38 1buj n GLY 47 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.17 1.92 0.40 1.61 3.01 -1.17 -4.85 119.74 120.49 1buj s LYS 48 Ca 0.00 -0.42 0.06 0.00 -1.01 0.00 0.00 55.97 54.61 1buj s LYS 48 Cb 0.00 -1.83 0.06 0.00 -1.01 0.00 0.00 37.83 35.06 1buj s LYS 48 CO 0.00 -0.22 0.53 0.43 0.51 0.00 0.00 175.35 176.60 1buj n SER 49 N 4.76 1.52 -4.85 2.83 7.64 -1.05 -4.69 113.62 119.77 1buj n SER 49 Ca -0.15 -2.08 -0.32 0.00 1.01 0.00 0.00 58.87 57.32 1buj n SER 49 Cb 0.50 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.51 4.72 -0.29 0.44 -1.09 -1.26 -1.43 121.20 120.78 1buj s ILE 50 Ca 0.40 0.85 -0.39 0.00 -2.23 0.00 0.00 60.65 59.29 1buj s ILE 50 Cb -0.03 -3.62 0.16 0.00 -1.58 0.00 0.00 42.46 37.39 1buj s ILE 50 CO 0.26 -0.20 1.40 -0.83 -1.23 0.00 0.00 174.94 174.33 1buj s GLY 51 N -2.36 -0.21 0.00 6.18 0.00 -0.06 -2.34 107.32 108.53 1buj s GLY 51 Ca 0.53 1.90 0.00 0.00 0.00 0.00 0.00 44.72 47.15 1buj s GLY 51 CO 0.19 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.53 1buj n GLY 52 N -0.03 0.64 3.91 0.20 0.00 -0.80 -4.06 105.19 105.05 1buj n GLY 52 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.11 6.43 0.18 1.61 1.11 -1.23 -4.92 116.67 117.73 1buj s ASP 53 Ca 0.00 0.49 -0.30 0.00 0.18 0.00 0.00 52.55 52.92 1buj s ASP 53 Cb 0.00 -2.05 -0.08 0.00 1.07 0.00 0.00 42.92 41.87 1buj s ASP 53 CO 0.00 -0.02 0.93 -0.69 1.18 0.00 0.00 175.17 176.58 1buj s VAL 54 N -1.81 4.27 -0.05 -1.27 1.01 -1.26 -1.36 120.40 119.93 1buj s VAL 54 Ca 0.40 2.05 0.06 0.00 0.00 0.00 0.00 61.98 64.49 1buj s VAL 54 Cb -0.11 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1buj s VAL 54 CO 0.28 0.42 -0.25 0.12 0.00 0.00 0.00 175.10 175.67 1buj s PHE 55 N -0.68 2.38 0.31 5.22 5.36 -0.91 -4.81 117.98 124.86 1buj s PHE 55 Ca 0.43 -0.68 -0.27 0.00 -0.96 0.00 0.00 56.93 55.45 1buj s PHE 55 Cb -0.25 -1.56 -0.10 0.00 -0.34 0.00 0.00 43.02 40.78 1buj s PHE 55 CO 0.31 -0.19 0.95 -1.54 -1.46 0.00 0.00 175.22 173.28 1buj s SER 56 N -0.20 7.36 0.10 6.13 1.04 -1.26 -4.46 113.70 122.40 1buj s SER 56 Ca -0.02 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1buj s SER 56 Cb -0.13 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1buj s SER 56 CO 0.03 -0.05 0.00 -3.20 0.98 0.00 0.00 173.24 171.00 1buj n ASN 57 N 0.69 -0.85 -3.59 7.02 5.15 -1.26 -5.01 115.26 117.41 1buj n ASN 57 Ca 0.01 0.19 -0.33 0.00 -0.60 0.00 0.00 54.58 53.86 1buj n ASN 57 Cb 0.49 1.14 0.02 0.00 -0.53 0.00 0.00 39.78 40.91 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 -2.71 -1.73 -3.04 1.20 5.12 -1.26 -3.15 116.66 111.10 1buj n ARG 58 Ca 0.00 1.10 -0.17 0.00 -1.93 0.00 0.00 57.85 56.86 1buj n ARG 58 Cb 0.00 -2.03 0.02 0.00 -1.16 0.00 0.00 32.46 29.29 1buj n ARG 58 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1buj n GLU 59 N -1.20 -2.26 0.00 5.56 -0.58 -1.25 -5.01 120.64 115.89 1buj n GLU 59 Ca -0.19 1.93 0.00 0.00 -0.42 0.00 0.00 57.16 58.49 1buj n GLU 59 Cb 0.68 -4.65 0.00 0.00 -0.57 0.00 0.00 31.44 26.89 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1buj n GLY 60 N -0.26 1.30 0.12 0.62 0.00 -1.19 -4.99 105.19 100.80 1buj n GLY 60 Ca 0.06 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 1buj n GLY 60 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1buj h ARG 61 N 0.00 0.20 -6.19 1.61 2.47 -1.95 -3.47 114.38 107.05 1buj h ARG 61 Ca 0.00 -0.34 -0.53 0.00 -1.26 0.00 0.00 59.98 57.84 1buj h ARG 61 Cb 0.00 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.39 1buj h ARG 61 CO 0.00 1.01 -0.54 -0.51 0.56 0.00 0.00 179.97 180.49 1buj s LEU 62 N -6.79 3.83 0.87 3.04 1.43 -1.26 -4.93 118.68 114.86 1buj s LEU 62 Ca -0.16 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 1buj s LEU 62 Cb 0.07 -2.39 0.11 0.00 0.03 0.00 0.00 46.19 44.01 1buj s LEU 62 CO 0.80 0.01 1.12 -2.16 0.23 0.00 0.00 176.35 176.35 1buj s PRO 63 N -3.51 1.52 -0.29 1.29 0.04 -1.26 -3.93 135.00 128.87 1buj s PRO 63 Ca 0.32 0.42 0.02 0.00 0.04 0.00 0.00 61.00 61.80 1buj s PRO 63 Cb -0.09 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.74 1buj s PRO 63 CO 0.24 -1.97 0.40 0.45 0.04 0.00 0.00 177.00 176.17 1buj s SER 64 N -3.99 0.41 -0.03 6.66 0.15 -1.26 -4.64 113.70 111.01 1buj s SER 64 Ca 0.63 -0.35 -0.12 0.00 0.70 0.00 0.00 55.95 56.81 1buj s SER 64 Cb -0.15 1.09 -0.06 0.00 -1.71 0.00 0.00 66.02 65.19 1buj s SER 64 CO 0.54 -0.35 0.55 0.00 1.20 0.00 0.00 173.24 175.18 1buj h ALA 65 N 8.16 -0.49 -0.76 5.45 0.00 -1.98 -3.46 119.26 126.18 1buj h ALA 65 Ca -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1buj h ALA 65 Cb 1.12 0.16 -0.19 0.00 0.00 0.00 0.00 17.79 18.88 1buj h ALA 65 CO 0.27 -0.46 -0.33 0.45 0.00 0.00 0.00 179.25 179.18 1buj s SER 66 N -4.48 -1.19 0.00 0.00 0.15 -1.26 -4.89 113.70 102.03 1buj s SER 66 Ca -0.06 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1buj s SER 66 Cb 0.01 1.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 1buj s SER 66 CO 0.18 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1buj n GLY 67 N 4.47 0.49 3.59 9.45 0.00 -1.26 -4.98 105.19 116.95 1buj n GLY 67 Ca 0.09 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.23 3.56 0.24 1.61 3.52 -1.26 -4.94 118.95 121.45 1buj s ARG 68 Ca 0.00 0.45 0.07 0.00 -0.13 0.00 0.00 55.73 56.12 1buj s ARG 68 Cb 0.00 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.36 1buj s ARG 68 CO 0.00 -1.61 0.18 0.99 -0.81 0.00 0.00 175.30 174.04 1buj s THR 69 N 5.01 4.40 -0.03 4.11 2.01 -1.26 -4.74 115.64 125.14 1buj s THR 69 Ca 0.48 -1.39 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1buj s THR 69 Cb -0.08 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 1buj s THR 69 CO 0.28 -0.32 -0.16 0.26 -0.69 0.00 0.00 174.62 173.99 1buj s TRP 70 N -2.09 1.59 0.09 4.92 0.52 -1.26 -0.14 118.94 122.56 1buj s TRP 70 Ca 0.32 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 56.14 1buj s TRP 70 Cb -0.08 -1.06 -0.03 0.00 -1.15 0.00 0.00 33.47 31.15 1buj s TRP 70 CO 0.24 -0.11 -0.24 1.03 0.02 0.00 0.00 176.95 177.89 1buj s ARG 71 N -0.10 1.44 0.29 4.98 0.52 -0.95 -2.14 118.95 123.00 1buj s ARG 71 Ca -0.00 -1.18 0.07 0.00 -0.52 0.00 0.00 55.73 54.10 1buj s ARG 71 Cb -0.10 -1.75 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 1buj s ARG 71 CO 0.01 0.43 0.23 -1.83 0.02 0.00 0.00 175.30 174.15 1buj s GLU 72 N -1.66 2.79 -0.09 3.54 -1.05 -0.46 -1.90 118.70 119.87 1buj s GLU 72 Ca 0.11 -1.19 -0.25 0.00 -0.15 0.00 0.00 54.97 53.48 1buj s GLU 72 Cb -0.10 -2.49 0.06 0.00 -0.44 0.00 0.00 34.13 31.16 1buj s GLU 72 CO 0.04 0.26 0.59 0.00 0.95 0.00 0.00 175.26 177.10 1buj s ALA 73 N -2.23 -1.52 0.31 -0.84 0.00 -0.46 -1.91 121.76 115.11 1buj s ALA 73 Ca 0.36 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 53.28 1buj s ALA 73 Cb -0.07 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.72 1buj s ALA 73 CO 0.25 -0.33 0.99 -0.51 0.00 0.00 0.00 175.76 176.17 1buj s ASP 74 N -0.84 7.29 0.00 0.00 1.11 -0.99 -0.80 116.67 122.44 1buj s ASP 74 Ca -0.09 1.99 0.08 0.00 0.18 0.00 0.00 52.55 54.70 1buj s ASP 74 Cb -0.02 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 1buj s ASP 74 CO 0.07 -0.11 -0.24 -0.63 1.18 0.00 0.00 175.17 175.44 1buj s ILE 75 N -1.43 1.91 -0.02 0.77 -1.09 -0.68 -4.80 121.20 115.85 1buj s ILE 75 Ca 0.48 -1.11 -0.03 0.00 -2.23 0.00 0.00 60.65 57.76 1buj s ILE 75 Cb -0.24 -1.60 0.01 0.00 -1.58 0.00 0.00 42.46 39.05 1buj s ILE 75 CO 0.30 0.46 0.05 0.59 -1.23 0.00 0.00 174.94 175.11 1buj n ASN 76 N 2.27 -7.33 -3.15 3.58 5.03 -0.87 -4.67 115.26 110.12 1buj n ASN 76 Ca -0.16 1.67 0.05 0.00 0.87 0.00 0.00 54.58 57.00 1buj n ASN 76 Cb 0.52 -5.01 -0.00 0.00 -1.02 0.00 0.00 39.78 34.26 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 -0.58 -1.21 -0.17 3.10 5.04 -1.26 -4.96 117.35 117.31 1buj s TYR 77 Ca -0.06 0.89 -0.09 0.00 -2.44 0.00 0.00 57.07 55.37 1buj s TYR 77 Cb 0.00 0.28 -0.07 0.00 0.35 0.00 0.00 41.96 42.52 1buj s TYR 77 CO 0.16 -0.69 -0.23 0.28 -1.34 0.00 0.00 175.55 173.73 1buj n VAL 78 N 5.35 1.00 -3.49 3.14 0.31 -1.26 -5.01 118.33 118.36 1buj n VAL 78 Ca 0.03 -0.22 -0.15 0.00 -0.01 0.00 0.00 64.34 63.99 1buj n VAL 78 Cb 0.54 -1.76 -0.05 0.00 -0.91 0.00 0.00 33.84 31.67 1buj n VAL 78 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1buj s SER 79 N -6.55 -0.60 0.00 4.52 1.04 -1.26 -4.85 113.70 106.00 1buj s SER 79 Ca -0.24 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1buj s SER 79 Cb 0.09 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1buj s SER 79 CO 0.31 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1buj n GLY 80 N 0.44 0.88 3.30 7.32 0.00 -1.26 -5.04 105.19 110.82 1buj n GLY 80 Ca -0.17 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.59 1buj n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1buj n PHE 81 N 4.76 -3.99 -1.64 1.61 3.72 -1.26 -2.94 117.46 117.71 1buj n PHE 81 Ca 0.00 -1.00 -0.48 0.00 -0.05 0.00 0.00 57.45 55.92 1buj n PHE 81 Cb 0.00 -0.88 -0.05 0.00 -0.94 0.00 0.00 39.48 37.61 1buj n PHE 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1buj n ARG 82 N -3.45 1.72 -3.87 -1.08 5.12 -1.26 -4.84 116.66 109.01 1buj n ARG 82 Ca 0.14 0.62 -0.28 0.00 -1.93 0.00 0.00 57.85 56.40 1buj n ARG 82 Cb 0.50 -2.32 -0.03 0.00 -1.16 0.00 0.00 32.46 29.44 1buj n ARG 82 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1buj s ASN 83 N 0.65 6.36 0.03 0.55 2.20 -1.26 -5.00 114.94 118.47 1buj s ASN 83 Ca 0.80 0.27 0.16 0.00 -0.94 0.00 0.00 52.86 53.14 1buj s ASN 83 Cb -0.79 -1.95 -0.16 0.00 -2.00 0.00 0.00 41.25 36.35 1buj s ASN 83 CO 0.43 0.06 0.78 0.00 -2.94 0.00 0.00 177.10 175.43 1buj n ALA 84 N -0.33 1.82 -2.55 3.54 0.00 -1.26 -4.83 120.51 116.89 1buj n ALA 84 Ca -0.06 -0.60 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 1buj n ALA 84 Cb 0.53 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 1buj n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1buj s ASP 85 N -5.85 6.68 0.05 0.00 1.11 -1.26 -4.10 116.67 113.30 1buj s ASP 85 Ca -0.03 0.77 -0.03 0.00 0.18 0.00 0.00 52.55 53.44 1buj s ASP 85 Cb 0.08 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.50 1buj s ASP 85 CO 0.81 -1.15 0.02 -0.13 1.18 0.00 0.00 175.17 175.90 1buj s ARG 86 N 4.26 0.63 -0.06 8.23 0.52 -0.40 -1.68 118.95 130.45 1buj s ARG 86 Ca 0.50 -1.09 0.04 0.00 -0.52 0.00 0.00 55.73 54.66 1buj s ARG 86 Cb -0.11 0.23 -0.00 0.00 0.52 0.00 0.00 34.95 35.59 1buj s ARG 86 CO 0.26 -0.14 -0.20 -1.17 0.02 0.00 0.00 175.30 174.07 1buj s LEU 87 N -2.75 1.95 -0.07 2.53 0.20 0.02 -1.59 118.68 118.97 1buj s LEU 87 Ca 0.04 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 54.48 1buj s LEU 87 Cb 0.06 -1.15 -0.01 0.00 -0.43 0.00 0.00 46.19 44.66 1buj s LEU 87 CO -0.09 0.16 -0.25 -0.69 -0.29 0.00 0.00 176.35 175.19 1buj s VAL 88 N 0.15 2.07 0.01 1.68 1.01 -0.12 -1.36 120.40 123.85 1buj s VAL 88 Ca -0.09 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1buj s VAL 88 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1buj s VAL 88 CO 0.04 0.57 -0.13 -0.72 0.00 0.00 0.00 175.10 174.86 1buj s TYR 89 N -0.02 1.19 0.71 5.22 1.13 -0.80 -1.50 117.35 123.30 1buj s TYR 89 Ca -0.08 -0.29 -0.03 0.00 -1.41 0.00 0.00 57.07 55.26 1buj s TYR 89 Cb -0.15 -0.74 0.11 0.00 -1.10 0.00 0.00 41.96 40.08 1buj s TYR 89 CO 0.05 0.01 1.00 -1.54 -2.51 0.00 0.00 175.55 172.55 1buj s SER 90 N -0.71 4.46 0.09 -0.18 1.04 -1.00 -2.23 113.70 115.17 1buj s SER 90 Ca 0.03 -0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.13 1buj s SER 90 Cb -0.06 -0.41 -0.14 0.00 0.10 0.00 0.00 66.02 65.51 1buj s SER 90 CO 0.00 -1.78 1.70 0.28 0.98 0.00 0.00 173.24 174.42 1buj h SER 91 N -0.56 -0.26 -0.39 7.02 0.02 -0.88 -2.33 113.55 116.17 1buj h SER 91 Ca -0.40 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1buj h SER 91 Cb 1.28 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1buj h SER 91 CO 0.46 -0.17 0.00 -0.90 -1.14 0.00 0.00 176.83 175.08 1buj n ASP 92 N -5.22 2.76 -2.11 3.07 5.68 -1.26 -4.93 116.55 114.54 1buj n ASP 92 Ca -0.08 -2.18 -0.01 0.00 -0.50 0.00 0.00 54.79 52.02 1buj n ASP 92 Cb 0.14 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1buj n ASP 92 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 1buj n TRP 93 N 0.61 -1.25 -4.93 2.11 -0.00 -0.88 -5.06 117.44 108.03 1buj n TRP 93 Ca 0.15 0.48 -0.30 0.00 -0.00 0.00 0.00 57.50 57.83 1buj n TRP 93 Cb 0.50 -2.55 -0.15 0.00 -0.00 0.00 0.00 31.31 29.12 1buj n TRP 93 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1buj s LEU 94 N -2.54 2.22 -0.12 5.87 1.43 -1.26 -4.90 118.68 119.39 1buj s LEU 94 Ca 0.02 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1buj s LEU 94 Cb -0.01 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 1buj s LEU 94 CO 0.30 0.27 -0.03 -0.63 0.23 0.00 0.00 176.35 176.49 1buj s ILE 95 N -0.79 3.98 0.05 -0.59 1.01 -1.26 -2.37 121.20 121.23 1buj s ILE 95 Ca 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 1buj s ILE 95 Cb -0.10 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1buj s ILE 95 CO 0.02 0.55 -0.03 -0.31 0.00 0.00 0.00 174.94 175.16 1buj s TYR 96 N -0.27 0.53 0.32 3.97 1.51 -0.56 -3.39 117.35 119.46 1buj s TYR 96 Ca 0.05 -0.98 0.10 0.00 -1.01 0.00 0.00 57.07 55.23 1buj s TYR 96 Cb -0.13 -0.38 -0.06 0.00 -0.11 0.00 0.00 41.96 41.29 1buj s TYR 96 CO 0.02 -0.33 -0.14 -1.59 -1.11 0.00 0.00 175.55 172.41 1buj s LYS 97 N -3.58 1.76 -0.21 -0.62 0.00 -0.50 -0.95 119.74 115.64 1buj s LYS 97 Ca 0.04 -1.87 -0.17 0.00 0.00 0.00 0.00 55.97 53.98 1buj s LYS 97 Cb 0.05 -1.72 0.06 0.00 0.00 0.00 0.00 37.83 36.22 1buj s LYS 97 CO -0.08 0.21 0.55 -0.08 0.00 0.00 0.00 175.35 175.95 1buj s THR 98 N -2.58 -0.00 -1.26 3.79 -1.32 -0.62 -2.43 115.64 111.22 1buj s THR 98 Ca 0.31 0.02 0.13 0.00 -1.21 0.00 0.00 61.69 60.94 1buj s THR 98 Cb -0.00 -0.79 0.02 0.00 -1.51 0.00 0.00 72.50 70.22 1buj s THR 98 CO 0.16 0.01 0.77 0.35 -2.21 0.00 0.00 174.62 173.69 1buj n THR 99 N 3.34 0.00 -0.07 5.08 -2.24 -1.26 -1.27 114.28 117.86 1buj n THR 99 Ca -0.17 -0.40 0.03 0.00 -2.27 0.00 0.00 64.05 61.24 1buj n THR 99 Cb 0.56 1.18 0.08 0.00 -2.10 0.00 0.00 70.33 70.05 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 0.01 2.41 -2.99 3.42 5.68 -1.26 -4.47 116.55 119.35 1buj n ASP 100 Ca 0.06 -1.95 -0.12 0.00 -0.50 0.00 0.00 54.79 52.28 1buj n ASP 100 Cb 0.28 -0.11 0.01 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.05 -3.30 -3.78 2.11 -0.00 -1.26 -3.82 115.22 105.23 1buj n HIS 101 Ca 0.06 1.33 -0.27 0.00 -0.00 0.00 0.00 57.72 58.84 1buj n HIS 101 Cb 0.33 -3.75 0.05 0.00 -0.00 0.00 0.00 29.99 26.62 1buj n HIS 101 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1buj n TYR 102 N -0.50 -2.44 -0.12 1.57 9.36 -1.26 -4.85 117.16 118.93 1buj n TYR 102 Ca 0.07 0.94 -0.21 0.00 3.32 0.00 0.00 57.90 62.01 1buj n TYR 102 Cb 0.50 -4.40 -0.07 0.00 -0.63 0.00 0.00 39.34 34.74 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1buj n ALA 103 N -4.72 1.09 -2.26 2.98 0.00 -1.25 -5.03 120.51 111.33 1buj n ALA 103 Ca -0.02 -0.98 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 1buj n ALA 103 Cb 0.56 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.66 0.19 0.10 0.00 -4.23 -1.26 -5.02 115.64 102.76 1buj s THR 104 Ca -0.35 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.15 1buj s THR 104 Cb 0.10 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1buj s THR 104 CO 0.46 0.00 0.02 -0.36 -0.54 0.00 0.00 174.62 174.20 1buj s PHE 105 N -3.91 0.71 -0.01 3.99 0.40 -1.26 -4.66 117.98 113.23 1buj s PHE 105 Ca 0.38 -1.16 0.01 0.00 -0.60 0.00 0.00 56.93 55.56 1buj s PHE 105 Cb 0.07 -0.44 0.01 0.00 0.51 0.00 0.00 43.02 43.16 1buj s PHE 105 CO 0.15 -0.46 -0.02 0.99 0.70 0.00 0.00 175.22 176.58 1buj s THR 106 N -3.99 0.23 -0.12 0.64 2.01 -1.02 -4.97 115.64 108.42 1buj s THR 106 Ca 0.17 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 1buj s THR 106 Cb 0.08 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.34 1buj s THR 106 CO -0.03 0.10 1.09 -0.60 -0.69 0.00 0.00 174.62 174.48 1buj s ARG 107 N 0.29 4.36 -0.06 4.92 3.52 -1.26 -1.41 118.95 129.32 1buj s ARG 107 Ca -0.03 1.49 0.15 0.00 -0.13 0.00 0.00 55.73 57.21 1buj s ARG 107 Cb -0.05 -3.58 -0.22 0.00 -1.56 0.00 0.00 34.95 29.53 1buj s ARG 107 CO -0.01 -0.44 0.25 0.44 -0.81 0.00 0.00 175.30 174.74 1buj n ILE 108 N 4.76 0.29 -0.88 4.11 -0.00 -1.22 -5.00 119.36 121.42 1buj n ILE 108 Ca 0.10 -0.43 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 1buj n ILE 108 Cb 0.47 -0.08 0.00 0.00 -0.00 0.00 0.00 39.64 40.03 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41