#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buj n VAL 2 N 0.00 -8.59 -3.22 0.00 0.31 -1.26 -4.94 118.33 100.63 1buj n VAL 2 Ca 0.00 0.21 -0.39 0.00 -0.01 0.00 0.00 64.34 64.15 1buj n VAL 2 Cb 0.00 -5.99 -0.06 0.00 -0.91 0.00 0.00 33.84 26.89 1buj n VAL 2 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1buj s ILE 3 N -2.67 5.04 -0.12 2.52 1.01 -1.26 -4.92 121.20 120.80 1buj s ILE 3 Ca 0.13 1.18 0.05 0.00 0.00 0.00 0.00 60.65 62.01 1buj s ILE 3 Cb -0.03 -3.91 0.16 0.00 0.01 0.00 0.00 42.46 38.69 1buj s ILE 3 CO 0.80 0.36 1.19 -0.46 0.00 0.00 0.00 174.94 176.83 1buj n ASN 4 N 3.25 -1.09 -4.56 3.58 0.23 -1.26 -4.90 115.26 110.52 1buj n ASN 4 Ca -0.06 -2.08 -0.26 0.00 -0.53 0.00 0.00 54.58 51.65 1buj n ASN 4 Cb 0.51 0.41 -0.11 0.00 -2.08 0.00 0.00 39.78 38.52 1buj n ASN 4 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1buj s THR 5 N -0.00 2.13 0.07 5.53 -4.23 -1.26 -0.96 115.64 116.91 1buj s THR 5 Ca 0.04 -2.14 -0.24 0.00 -1.18 0.00 0.00 61.69 58.17 1buj s THR 5 Cb 0.17 -2.74 -0.16 0.00 1.34 0.00 0.00 72.50 71.10 1buj s THR 5 CO -0.05 -0.14 1.64 -0.26 -0.54 0.00 0.00 174.62 175.27 1buj h PHE 6 N 1.96 -0.07 -0.18 3.99 0.04 -1.98 -0.31 116.94 120.40 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 1.25 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 1buj h PHE 6 CO 0.75 0.04 -0.51 -0.44 -0.60 0.00 0.00 178.31 177.55 1buj h ASP 7 N -0.16 0.56 -0.04 2.17 5.19 -1.97 -2.01 116.42 120.16 1buj h ASP 7 Ca -0.01 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.09 1buj h ASP 7 Cb 0.14 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1buj h ASP 7 CO 0.01 0.97 -0.07 1.23 -3.12 0.00 0.00 179.24 178.26 1buj h GLY 8 N 1.11 0.12 1.14 2.75 0.00 -1.92 0.54 103.07 106.82 1buj h GLY 8 Ca 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1buj h GLY 8 CO 0.09 0.13 0.12 -2.08 0.00 0.00 0.00 176.54 174.80 1buj h VAL 9 N -0.42 1.26 -0.56 4.60 2.07 -1.14 -2.21 116.25 119.84 1buj h VAL 9 Ca 0.00 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.55 1buj h VAL 9 Cb 0.66 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1buj h VAL 9 CO 0.02 0.38 0.37 0.00 0.02 0.00 0.00 177.57 178.35 1buj h ALA 10 N 1.12 1.68 -0.33 1.67 0.00 -1.18 -2.01 119.26 120.21 1buj h ALA 10 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1buj h ALA 10 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1buj h ALA 10 CO 0.01 0.27 0.06 -0.44 0.00 0.00 0.00 179.25 179.16 1buj h ASP 11 N 0.68 0.52 -0.74 0.00 5.19 -0.27 -1.18 116.42 120.62 1buj h ASP 11 Ca 0.22 -0.25 0.04 0.00 -0.62 0.00 0.00 57.03 56.42 1buj h ASP 11 Cb 0.03 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.35 1buj h ASP 11 CO -0.05 0.63 0.46 1.88 -3.12 0.00 0.00 179.24 179.04 1buj h TYR 12 N 0.38 0.85 0.45 4.55 0.05 -1.12 0.06 116.97 122.19 1buj h TYR 12 Ca 0.10 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 1buj h TYR 12 Cb 0.33 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1buj h TYR 12 CO 0.02 0.46 -0.37 -0.07 -1.05 0.00 0.00 178.16 177.15 1buj h LEU 13 N 0.87 -0.99 -0.55 3.88 3.38 -0.99 -0.58 115.31 120.33 1buj h LEU 13 Ca 0.31 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.43 1buj h LEU 13 Cb 0.08 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1buj h LEU 13 CO -0.14 -0.54 0.20 0.40 0.09 0.00 0.00 178.44 178.45 1buj h ILE 14 N -0.82 0.81 0.16 1.22 1.08 -0.82 0.63 117.51 119.77 1buj h ILE 14 Ca -0.04 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1buj h ILE 14 Cb 0.71 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1buj h ILE 14 CO -0.02 0.07 -0.08 -0.09 -0.69 0.00 0.00 178.15 177.34 1buj h ARG 15 N 0.38 -0.21 -0.01 2.37 2.43 -0.75 -3.34 114.38 115.25 1buj h ARG 15 Ca 0.27 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1buj h ARG 15 Cb 0.30 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1buj h ARG 15 CO -0.27 -0.14 -0.21 0.66 -1.51 0.00 0.00 179.97 178.50 1buj n TYR 16 N -3.95 0.00 -2.08 2.20 4.01 -0.25 -4.91 117.16 112.19 1buj n TYR 16 Ca -0.03 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.64 1buj n TYR 16 Cb 0.09 -0.11 -0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.54 -0.55 -3.71 -0.72 4.81 0.20 -4.98 118.16 112.66 1buj n LYS 17 Ca 0.13 0.36 -0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1buj n LYS 17 Cb 0.34 -4.25 -0.00 0.00 0.02 0.00 0.00 35.03 31.14 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 -4.25 0.73 1.11 1.64 1.70 -1.16 -5.03 118.95 113.69 1buj s ARG 18 Ca 0.00 -0.41 -0.12 0.00 -0.47 0.00 0.00 55.73 54.72 1buj s ARG 18 Cb 0.00 0.24 0.25 0.00 -0.57 0.00 0.00 34.95 34.87 1buj s ARG 18 CO 0.00 -0.33 1.06 -0.51 -1.08 0.00 0.00 175.30 174.43 1buj s LEU 19 N -3.07 1.30 0.82 -1.89 1.43 -1.26 -2.88 118.68 113.13 1buj s LEU 19 Ca 0.15 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 1buj s LEU 19 Cb 0.02 -3.70 0.08 0.00 0.03 0.00 0.00 46.19 42.62 1buj s LEU 19 CO -0.01 -3.96 1.11 -2.16 0.23 0.00 0.00 176.35 171.56 1buj s PRO 20 N -4.50 1.88 0.00 1.29 0.04 -1.26 -4.89 135.00 127.56 1buj s PRO 20 Ca 0.68 0.56 0.21 0.00 0.04 0.00 0.00 61.00 62.50 1buj s PRO 20 Cb -0.24 -1.90 0.76 0.00 0.04 0.00 0.00 34.50 33.15 1buj s PRO 20 CO 0.63 -1.75 1.55 -3.47 0.04 0.00 0.00 177.00 174.01 1buj n ASP 21 N -3.50 1.72 0.20 6.66 2.03 -1.26 -3.13 116.55 119.27 1buj n ASP 21 Ca 0.07 -1.71 0.14 0.00 0.52 0.00 0.00 54.79 53.81 1buj n ASP 21 Cb 0.57 -0.10 0.47 0.00 -0.72 0.00 0.00 41.12 41.34 1buj n ASP 21 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1buj h ASN 22 N 2.32 0.00 -3.64 1.67 -1.07 -1.93 -3.42 115.58 109.51 1buj h ASN 22 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 56.30 55.75 1buj h ASN 22 Cb 0.51 0.00 -0.14 0.00 -2.07 0.00 0.00 38.32 36.62 1buj h ASN 22 CO 0.00 0.00 -0.20 -0.31 0.07 0.00 0.00 177.43 176.99 1buj s TYR 23 N -3.38 3.28 0.38 4.14 2.02 -1.18 -1.23 117.35 121.38 1buj s TYR 23 Ca 0.05 0.49 0.07 0.00 -0.37 0.00 0.00 57.07 57.31 1buj s TYR 23 Cb 0.09 -2.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.05 1buj s TYR 23 CO 0.55 -0.18 0.40 0.96 -1.57 0.00 0.00 175.55 175.70 1buj s ILE 24 N 1.92 3.23 0.61 2.71 -4.36 0.09 -4.75 121.20 120.65 1buj s ILE 24 Ca 0.17 -1.24 -0.07 0.00 -0.26 0.00 0.00 60.65 59.25 1buj s ILE 24 Cb -0.15 -3.13 0.01 0.00 1.25 0.00 0.00 42.46 40.44 1buj s ILE 24 CO 0.09 -0.08 0.94 0.42 0.24 0.00 0.00 174.94 176.55 1buj s THR 25 N -2.35 3.74 0.25 8.37 -4.23 -1.24 -1.02 115.64 119.15 1buj s THR 25 Ca 0.46 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 1buj s THR 25 Cb -0.06 -3.50 0.22 0.00 1.34 0.00 0.00 72.50 70.49 1buj s THR 25 CO 0.29 -0.55 1.76 0.11 -0.54 0.00 0.00 174.62 175.68 1buj h LYS 26 N -0.26 0.54 -0.96 3.99 1.57 -1.94 -1.54 116.57 117.96 1buj h LYS 26 Ca -0.45 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1buj h LYS 26 Cb 1.25 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 1buj h LYS 26 CO 0.61 0.36 0.64 0.77 -0.57 0.00 0.00 179.45 181.26 1buj h SER 27 N 0.56 1.10 -0.09 0.86 0.02 -1.99 0.43 113.55 114.43 1buj h SER 27 Ca 0.41 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.18 1buj h SER 27 Cb 0.56 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.84 1buj h SER 27 CO -0.35 0.79 -0.57 1.56 -1.14 0.00 0.00 176.83 177.12 1buj h GLN 28 N 1.29 0.54 -0.60 3.45 1.08 -1.70 -1.39 115.11 117.79 1buj h GLN 28 Ca 0.35 -0.46 0.06 0.00 -1.45 0.00 0.00 58.65 57.15 1buj h GLN 28 Cb -0.14 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 1buj h GLN 28 CO -0.08 1.09 0.31 0.00 -0.95 0.00 0.00 178.83 179.20 1buj h ALA 29 N 0.45 0.79 -0.65 3.87 0.00 -0.97 -2.33 119.26 120.43 1buj h ALA 29 Ca -0.05 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1buj h ALA 29 Cb 1.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1buj h ALA 29 CO 0.12 -0.04 0.08 0.77 0.00 0.00 0.00 179.25 180.18 1buj h SER 30 N 0.58 1.05 -0.90 0.00 0.02 -0.75 -0.85 113.55 112.71 1buj h SER 30 Ca 0.27 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1buj h SER 30 Cb 0.19 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 1buj h SER 30 CO -0.19 1.05 0.59 0.00 -1.14 0.00 0.00 176.83 177.14 1buj h ALA 31 N 1.03 1.44 0.00 3.77 0.00 -0.93 -0.10 119.26 124.47 1buj h ALA 31 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1buj h ALA 31 Cb 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1buj h ALA 31 CO 0.02 0.47 0.00 -0.07 0.00 0.00 0.00 179.25 179.67 1buj h LEU 32 N 1.12 0.00 0.00 0.00 3.38 -0.80 -3.46 115.31 115.55 1buj h LEU 32 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1buj h LEU 32 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1buj h LEU 32 CO -0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.03 1buj n GLY 33 N 0.60 1.99 3.73 0.83 0.00 -0.05 -4.87 105.19 107.42 1buj n GLY 33 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 3.67 -0.12 1.61 -0.00 -0.40 -4.92 118.94 116.78 1buj s TRP 34 Ca 0.00 1.41 0.15 0.00 -0.00 0.00 0.00 56.10 57.66 1buj s TRP 34 Cb 0.00 -2.84 -0.21 0.00 -0.00 0.00 0.00 33.47 30.41 1buj s TRP 34 CO 0.00 0.17 0.15 0.28 -0.00 0.00 0.00 176.95 177.55 1buj n VAL 35 N 3.30 0.76 -2.26 5.86 0.31 -1.23 -4.27 118.33 120.80 1buj n VAL 35 Ca -0.01 -0.59 -0.15 0.00 -0.01 0.00 0.00 64.34 63.59 1buj n VAL 35 Cb 0.51 -0.38 -0.01 0.00 -0.91 0.00 0.00 33.84 33.05 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 -2.44 -0.43 0.11 3.52 0.00 -1.25 -4.57 120.51 115.46 1buj n ALA 36 Ca -0.19 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1buj n ALA 36 Cb 0.85 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.78 -2.01 -3.45 0.00 2.88 -1.26 -5.02 113.62 103.98 1buj n SER 37 Ca -0.17 0.54 -0.26 0.00 -1.33 0.00 0.00 58.87 57.65 1buj n SER 37 Cb 0.63 2.07 -0.09 0.00 -0.75 0.00 0.00 64.21 66.07 1buj n SER 37 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1buj n LYS 38 N -3.01 1.36 0.00 -1.46 4.81 -1.26 -4.98 118.16 113.62 1buj n LYS 38 Ca 0.00 -3.90 0.00 0.00 -0.87 0.00 0.00 58.31 53.54 1buj n LYS 38 Cb 0.00 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1buj n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1buj n GLY 39 N 1.67 1.00 3.76 3.14 0.00 -1.26 -4.77 105.19 108.74 1buj n GLY 39 Ca 0.25 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 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 3.81 -0.05 1.61 4.22 -1.26 -3.50 114.94 119.77 1buj s ASN 40 Ca 0.00 1.31 -0.16 0.00 -2.14 0.00 0.00 52.86 51.87 1buj s ASN 40 Cb 0.00 -2.00 -0.11 0.00 1.28 0.00 0.00 41.25 40.43 1buj s ASN 40 CO 0.00 -2.40 0.65 0.25 -2.04 0.00 0.00 177.10 173.56 1buj h LEU 41 N -1.39 -0.28 -2.02 3.54 5.85 -1.97 -3.25 115.31 115.79 1buj h LEU 41 Ca -0.49 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.22 1buj h LEU 41 Cb 1.29 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1buj h LEU 41 CO 0.58 0.22 0.41 0.00 -0.34 0.00 0.00 178.44 179.31 1buj h ALA 42 N -0.76 2.35 -0.40 1.25 0.00 -1.88 0.14 119.26 119.97 1buj h ALA 42 Ca -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1buj h ALA 42 Cb 0.42 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1buj h ALA 42 CO 0.06 -0.67 0.01 1.49 0.00 0.00 0.00 179.25 180.14 1buj h GLU 43 N 0.00 0.12 0.00 0.00 4.81 -1.96 -2.72 114.58 114.83 1buj h GLU 43 Ca 0.24 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1buj h GLU 43 Cb 1.06 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1buj h GLU 43 CO -0.00 0.08 -1.65 1.33 -0.73 0.00 0.00 179.01 178.04 1buj n VAL 44 N -5.18 0.44 -3.67 0.32 0.24 0.24 -4.66 118.33 106.07 1buj n VAL 44 Ca 0.03 -0.38 -0.29 0.00 -2.04 0.00 0.00 64.34 61.66 1buj n VAL 44 Cb 0.20 -0.35 -0.12 0.00 -1.47 0.00 0.00 33.84 32.11 1buj n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1buj s ALA 45 N -2.46 2.19 0.43 2.33 0.00 0.17 -4.84 121.76 119.58 1buj s ALA 45 Ca -0.05 -2.72 -0.23 0.00 0.00 0.00 0.00 51.96 48.97 1buj s ALA 45 Cb 0.05 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 1buj s ALA 45 CO 0.45 -2.06 1.05 -1.25 0.00 0.00 0.00 175.76 173.95 1buj s PRO 46 N 0.06 4.02 -0.61 0.00 0.04 -1.03 -3.30 135.00 134.19 1buj s PRO 46 Ca 0.22 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1buj s PRO 46 Cb -0.16 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1buj s PRO 46 CO -0.06 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1buj n GLY 47 N 0.12 0.75 3.31 0.56 0.00 -1.26 -4.95 105.19 103.72 1buj n GLY 47 Ca 0.07 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.03 1.21 0.30 1.61 3.01 -1.21 -4.89 119.74 117.74 1buj s LYS 48 Ca 0.00 -1.31 0.03 0.00 -1.01 0.00 0.00 55.97 53.68 1buj s LYS 48 Cb 0.00 -1.36 -0.04 0.00 -1.01 0.00 0.00 37.83 35.42 1buj s LYS 48 CO 0.00 0.29 0.13 -1.12 0.51 0.00 0.00 175.35 175.16 1buj s SER 49 N -2.36 1.61 -0.03 2.83 0.01 -0.36 -4.81 113.70 110.59 1buj s SER 49 Ca 0.12 -1.49 -0.21 0.00 1.31 0.00 0.00 55.95 55.67 1buj s SER 49 Cb -0.07 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 1buj s SER 49 CO 0.06 -0.81 0.63 -0.63 0.41 0.00 0.00 173.24 172.89 1buj s ILE 50 N -3.59 4.97 -0.09 1.44 -1.09 -1.26 -0.73 121.20 120.85 1buj s ILE 50 Ca 0.35 1.30 -0.32 0.00 -2.23 0.00 0.00 60.65 59.75 1buj s ILE 50 Cb 0.06 -3.97 0.12 0.00 -1.58 0.00 0.00 42.46 37.10 1buj s ILE 50 CO 0.16 0.35 1.20 -0.83 -1.23 0.00 0.00 174.94 174.59 1buj s GLY 51 N 0.22 -0.35 0.00 6.18 0.00 -0.19 -2.17 107.32 111.01 1buj s GLY 51 Ca 0.33 1.12 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1buj s GLY 51 CO 0.17 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.21 1buj n GLY 52 N -0.28 0.71 3.93 0.20 0.00 -0.44 -3.68 105.19 105.63 1buj n GLY 52 Ca -0.04 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.05 5.97 0.28 1.61 1.01 -1.22 -4.88 116.67 117.39 1buj s ASP 53 Ca 0.00 0.60 -0.27 0.00 0.71 0.00 0.00 52.55 53.59 1buj s ASP 53 Cb 0.00 -1.86 -0.09 0.00 1.01 0.00 0.00 42.92 41.98 1buj s ASP 53 CO 0.00 -0.70 0.92 -0.69 0.21 0.00 0.00 175.17 174.91 1buj s VAL 54 N -2.68 4.19 0.20 -1.27 1.01 -1.26 -0.64 120.40 119.94 1buj s VAL 54 Ca 0.48 1.88 0.08 0.00 0.00 0.00 0.00 61.98 64.43 1buj s VAL 54 Cb -0.10 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1buj s VAL 54 CO 0.41 0.30 -0.02 0.12 0.00 0.00 0.00 175.10 175.92 1buj s PHE 55 N -1.43 2.77 -0.87 5.22 2.19 -1.10 -4.75 117.98 120.01 1buj s PHE 55 Ca 0.46 -0.18 -0.25 0.00 0.33 0.00 0.00 56.93 57.29 1buj s PHE 55 Cb -0.21 -1.31 -0.02 0.00 -1.31 0.00 0.00 43.02 40.17 1buj s PHE 55 CO 0.27 0.54 1.78 0.45 1.83 0.00 0.00 175.22 180.09 1buj s SER 56 N -3.15 5.54 0.12 6.13 0.15 -1.26 -4.68 113.70 116.54 1buj s SER 56 Ca 0.28 -0.67 0.26 0.00 0.70 0.00 0.00 55.95 56.52 1buj s SER 56 Cb -0.08 -2.56 0.97 0.00 -1.71 0.00 0.00 66.02 62.64 1buj s SER 56 CO 0.18 -2.35 1.80 -3.20 1.20 0.00 0.00 173.24 170.87 1buj n ASN 57 N 12.32 0.42 0.21 5.45 2.85 -1.26 -3.23 115.26 132.02 1buj n ASN 57 Ca 0.33 0.55 0.07 0.00 -0.11 0.00 0.00 54.58 55.42 1buj n ASN 57 Cb 0.49 -0.66 0.60 0.00 1.24 0.00 0.00 39.78 41.45 1buj n ASN 57 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1buj h ARG 58 N 0.00 0.10 -0.94 1.20 9.65 -1.96 0.15 114.38 122.58 1buj h ARG 58 Ca 0.00 -0.01 0.16 0.00 -1.10 0.00 0.00 59.98 59.04 1buj h ARG 58 Cb 0.56 -0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.04 1buj h ARG 58 CO 0.00 0.07 0.60 0.93 2.80 0.00 0.00 179.97 184.37 1buj h GLU 59 N 0.11 0.67 -0.75 0.20 4.39 -1.95 -3.46 114.58 113.79 1buj h GLU 59 Ca 0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1buj h GLU 59 Cb 0.00 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1buj h GLU 59 CO -0.01 0.44 0.00 0.41 -1.16 0.00 0.00 179.01 178.70 1buj n GLY 60 N -1.42 0.96 0.12 -3.84 0.00 0.52 -5.00 105.19 96.54 1buj n GLY 60 Ca 0.19 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 0.16 -6.34 1.61 2.47 -1.86 -3.47 114.38 106.94 1buj h ARG 61 Ca 0.00 -0.27 -0.61 0.00 -1.26 0.00 0.00 59.98 57.84 1buj h ARG 61 Cb 0.74 0.10 -0.11 0.00 -1.65 0.00 0.00 29.97 29.05 1buj h ARG 61 CO 0.00 1.13 -0.66 -0.51 0.56 0.00 0.00 179.97 180.49 1buj s LEU 62 N -7.51 3.36 0.44 3.04 1.43 -1.26 -4.99 118.68 113.19 1buj s LEU 62 Ca -0.24 -0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 52.29 1buj s LEU 62 Cb 0.06 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 1buj s LEU 62 CO 0.70 0.10 1.05 -2.16 0.23 0.00 0.00 176.35 176.27 1buj s PRO 63 N -2.83 3.97 -0.43 1.29 0.04 -1.26 -5.00 135.00 130.77 1buj s PRO 63 Ca 0.27 1.44 0.08 0.00 0.04 0.00 0.00 61.00 62.84 1buj s PRO 63 Cb -0.10 -2.32 0.30 0.00 0.04 0.00 0.00 34.50 32.43 1buj s PRO 63 CO 0.19 -0.30 0.87 -1.13 0.04 0.00 0.00 177.00 176.67 1buj n SER 64 N -0.53 -1.20 -4.77 6.66 3.41 -1.26 -4.95 113.62 110.99 1buj n SER 64 Ca 0.07 -3.27 -0.37 0.00 -0.26 0.00 0.00 58.87 55.04 1buj n SER 64 Cb 0.51 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 1buj n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1buj s ALA 65 N -0.61 2.95 0.00 7.33 0.00 -1.26 -3.58 121.76 126.59 1buj s ALA 65 Ca 0.31 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1buj s ALA 65 Cb 0.27 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1buj s ALA 65 CO -0.11 -0.80 0.00 0.43 0.00 0.00 0.00 175.76 175.28 1buj n SER 66 N -0.57 0.00 0.00 0.00 7.64 -1.26 -3.30 113.62 116.14 1buj n SER 66 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1buj n SER 66 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1buj n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1buj n GLY 67 N 0.00 -0.29 3.79 0.23 0.00 -1.24 -5.16 105.19 102.52 1buj n GLY 67 Ca 0.00 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 4.28 0.27 1.61 3.52 -1.21 -5.06 118.95 122.36 1buj s ARG 68 Ca 0.00 0.77 -0.01 0.00 -0.13 0.00 0.00 55.73 56.36 1buj s ARG 68 Cb 0.00 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1buj s ARG 68 CO 0.00 0.52 0.48 0.99 -0.81 0.00 0.00 175.30 176.48 1buj s THR 69 N -0.73 5.13 0.01 4.11 2.01 -1.26 -4.78 115.64 120.13 1buj s THR 69 Ca 0.30 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1buj s THR 69 Cb -0.19 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 1buj s THR 69 CO 0.19 -0.33 -0.10 0.26 -0.69 0.00 0.00 174.62 173.95 1buj s TRP 70 N -2.06 0.87 0.05 4.92 0.52 -1.26 -1.91 118.94 120.08 1buj s TRP 70 Ca 0.40 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.33 1buj s TRP 70 Cb -0.10 -0.54 -0.03 0.00 -1.15 0.00 0.00 33.47 31.65 1buj s TRP 70 CO 0.31 -0.01 -0.12 1.03 0.02 0.00 0.00 176.95 178.18 1buj s ARG 71 N -0.57 0.71 0.35 4.98 0.52 -0.40 -2.70 118.95 121.84 1buj s ARG 71 Ca 0.01 -0.83 0.09 0.00 -0.52 0.00 0.00 55.73 54.48 1buj s ARG 71 Cb -0.05 -0.63 -0.05 0.00 0.52 0.00 0.00 34.95 34.73 1buj s ARG 71 CO 0.00 0.14 0.07 -1.83 0.02 0.00 0.00 175.30 173.70 1buj s GLU 72 N -1.55 2.17 -0.04 3.54 -1.05 0.18 -1.08 118.70 120.87 1buj s GLU 72 Ca -0.04 -1.72 -0.31 0.00 -0.15 0.00 0.00 54.97 52.75 1buj s GLU 72 Cb -0.09 -1.99 0.07 0.00 -0.44 0.00 0.00 34.13 31.67 1buj s GLU 72 CO 0.01 0.09 0.68 0.00 0.95 0.00 0.00 175.26 176.99 1buj s ALA 73 N -2.51 -1.76 0.48 -0.84 0.00 -0.43 -1.33 121.76 115.37 1buj s ALA 73 Ca 0.36 1.28 -0.22 0.00 0.00 0.00 0.00 51.96 53.38 1buj s ALA 73 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 1buj s ALA 73 CO 0.21 -0.39 1.19 -0.51 0.00 0.00 0.00 175.76 176.25 1buj s ASP 74 N -1.27 6.00 -0.03 0.00 1.01 -0.92 -0.87 116.67 120.59 1buj s ASP 74 Ca -0.10 2.35 0.06 0.00 0.71 0.00 0.00 52.55 55.57 1buj s ASP 74 Cb -0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1buj s ASP 74 CO 0.09 -1.04 -0.21 -0.63 0.21 0.00 0.00 175.17 173.59 1buj s ILE 75 N -1.54 1.70 -0.20 0.77 -1.09 -0.80 -4.69 121.20 115.36 1buj s ILE 75 Ca 0.66 -0.90 -0.09 0.00 -2.23 0.00 0.00 60.65 58.09 1buj s ILE 75 Cb -0.30 -1.43 0.03 0.00 -1.58 0.00 0.00 42.46 39.19 1buj s ILE 75 CO 0.36 0.48 0.17 0.59 -1.23 0.00 0.00 174.94 175.31 1buj n ASN 76 N 2.75 -2.79 -3.40 3.58 5.03 -0.14 -4.59 115.26 115.71 1buj n ASN 76 Ca -0.16 1.32 -0.25 0.00 0.87 0.00 0.00 54.58 56.36 1buj n ASN 76 Cb 0.53 -4.92 -0.10 0.00 -1.02 0.00 0.00 39.78 34.27 1buj n ASN 76 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1buj s TYR 77 N -0.85 0.52 -0.10 3.10 1.13 -1.26 -4.94 117.35 114.95 1buj s TYR 77 Ca -0.20 -1.62 -0.10 0.00 -1.41 0.00 0.00 57.07 53.74 1buj s TYR 77 Cb 0.01 -0.76 -0.05 0.00 -1.10 0.00 0.00 41.96 40.06 1buj s TYR 77 CO 0.72 -0.87 -0.22 0.28 -2.51 0.00 0.00 175.55 172.95 1buj n VAL 78 N 3.71 1.24 -3.64 -3.49 0.31 -1.26 -5.07 118.33 110.13 1buj n VAL 78 Ca 0.17 0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.49 1buj n VAL 78 Cb 0.42 -1.95 -0.07 0.00 -0.91 0.00 0.00 33.84 31.34 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 -6.14 -0.50 0.00 4.52 0.01 -1.26 -5.09 113.70 105.24 1buj s SER 79 Ca -0.20 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1buj s SER 79 Cb 0.05 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.27 1buj s SER 79 CO 0.27 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1buj n GLY 80 N 2.36 0.20 3.63 3.44 0.00 -1.26 -5.13 105.19 108.43 1buj n GLY 80 Ca -0.13 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 4.11 -3.92 -0.59 1.61 3.72 -1.26 -5.04 117.46 116.08 1buj n PHE 81 Ca 0.00 -1.15 -0.30 0.00 -0.05 0.00 0.00 57.45 55.95 1buj n PHE 81 Cb 0.00 -0.95 0.20 0.00 -0.94 0.00 0.00 39.48 37.80 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 -3.58 -1.29 -1.67 -1.08 5.12 -1.26 -4.79 116.66 108.12 1buj n ARG 82 Ca 0.16 -0.32 -0.40 0.00 -1.93 0.00 0.00 57.85 55.35 1buj n ARG 82 Cb 0.54 -2.28 -0.03 0.00 -1.16 0.00 0.00 32.46 29.54 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 -2.52 5.09 -0.04 0.55 4.22 -1.26 -4.77 114.94 116.21 1buj s ASN 83 Ca 0.67 1.39 -0.17 0.00 -2.14 0.00 0.00 52.86 52.61 1buj s ASN 83 Cb -0.24 -2.51 -0.31 0.00 1.28 0.00 0.00 41.25 39.47 1buj s ASN 83 CO 0.61 -2.33 0.80 0.00 -2.04 0.00 0.00 177.10 174.14 1buj h ALA 84 N 16.59 -0.00 -2.72 3.54 0.00 -1.90 -3.45 119.26 131.30 1buj h ALA 84 Ca -0.32 -0.91 -0.56 0.00 0.00 0.00 0.00 54.91 53.11 1buj h ALA 84 Cb 1.24 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1buj h ALA 84 CO 1.07 0.68 0.06 -0.51 0.00 0.00 0.00 179.25 180.54 1buj s ASP 85 N -7.21 6.96 0.06 0.00 1.11 -1.26 -4.30 116.67 112.04 1buj s ASP 85 Ca -0.14 1.15 0.02 0.00 0.18 0.00 0.00 52.55 53.76 1buj s ASP 85 Cb 0.03 -2.40 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 1buj s ASP 85 CO 0.85 -0.08 -0.08 -0.13 1.18 0.00 0.00 175.17 176.90 1buj s ARG 86 N 0.69 0.64 -0.19 8.23 0.52 -0.45 -1.90 118.95 126.49 1buj s ARG 86 Ca 0.36 -0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 54.60 1buj s ARG 86 Cb -0.18 -0.32 -0.02 0.00 0.52 0.00 0.00 34.95 34.96 1buj s ARG 86 CO 0.17 0.04 -0.06 -1.17 0.02 0.00 0.00 175.30 174.31 1buj s LEU 87 N -1.99 2.96 -0.17 2.53 2.96 -0.05 -1.86 118.68 123.06 1buj s LEU 87 Ca -0.03 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1buj s LEU 87 Cb -0.06 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 44.94 1buj s LEU 87 CO -0.01 0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 1buj s VAL 88 N 0.95 1.61 0.11 1.68 1.01 0.10 -1.31 120.40 124.55 1buj s VAL 88 Ca -0.00 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1buj s VAL 88 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1buj s VAL 88 CO 0.01 0.33 -0.13 -0.72 0.00 0.00 0.00 175.10 174.58 1buj s TYR 89 N 1.44 1.32 0.76 5.22 -0.85 -0.24 -1.77 117.35 123.23 1buj s TYR 89 Ca 0.02 -0.57 -0.03 0.00 -0.52 0.00 0.00 57.07 55.97 1buj s TYR 89 Cb -0.14 -0.70 0.16 0.00 0.38 0.00 0.00 41.96 41.66 1buj s TYR 89 CO -0.10 0.11 1.04 -1.13 -1.52 0.00 0.00 175.55 173.95 1buj n SER 90 N 0.60 1.08 -0.04 -0.18 3.41 -0.53 -1.27 113.62 116.69 1buj n SER 90 Ca -0.16 -1.99 -0.10 0.00 -0.26 0.00 0.00 58.87 56.36 1buj n SER 90 Cb 0.57 -0.70 0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1buj n SER 90 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1buj h SER 91 N -0.80 0.74 -0.60 4.04 0.02 -1.73 -2.52 113.55 112.70 1buj h SER 91 Ca -0.34 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1buj h SER 91 Cb 1.19 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1buj h SER 91 CO 0.34 1.08 0.00 -0.90 -1.14 0.00 0.00 176.83 176.20 1buj n ASP 92 N -4.02 4.13 -1.69 3.07 5.68 -1.26 -4.93 116.55 117.53 1buj n ASP 92 Ca -0.02 -2.31 -0.05 0.00 -0.50 0.00 0.00 54.79 51.90 1buj n ASP 92 Cb 0.55 -0.52 0.03 0.00 -1.14 0.00 0.00 41.12 40.03 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 1.08 -0.67 -3.32 2.11 7.02 -0.95 -5.01 117.44 117.70 1buj n TRP 93 Ca 0.23 0.28 -0.39 0.00 -1.02 0.00 0.00 57.50 56.60 1buj n TRP 93 Cb 0.75 -2.84 -0.08 0.00 -2.42 0.00 0.00 31.31 26.72 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 -3.25 4.10 -0.11 -0.99 1.43 -1.26 -4.85 118.68 113.75 1buj s LEU 94 Ca 0.02 0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1buj s LEU 94 Cb -0.01 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 1buj s LEU 94 CO 0.22 -0.18 -0.09 -0.63 0.23 0.00 0.00 176.35 175.90 1buj s ILE 95 N 1.80 3.43 0.03 -0.59 1.01 -1.26 -1.45 121.20 124.16 1buj s ILE 95 Ca 0.20 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1buj s ILE 95 Cb -0.15 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 1buj s ILE 95 CO 0.09 0.54 -0.00 -0.31 0.00 0.00 0.00 174.94 175.26 1buj s TYR 96 N -0.02 0.29 0.25 3.97 1.51 -0.73 -2.54 117.35 120.09 1buj s TYR 96 Ca -0.01 -0.61 0.10 0.00 -1.01 0.00 0.00 57.07 55.54 1buj s TYR 96 Cb -0.14 -0.22 -0.05 0.00 -0.11 0.00 0.00 41.96 41.45 1buj s TYR 96 CO 0.03 -0.26 -0.11 -1.59 -1.11 0.00 0.00 175.55 172.52 1buj s LYS 97 N -2.12 1.98 -0.06 -0.62 -2.85 -0.30 -0.72 119.74 115.05 1buj s LYS 97 Ca -0.10 -1.54 -0.18 0.00 -1.00 0.00 0.00 55.97 53.16 1buj s LYS 97 Cb -0.05 -1.99 0.04 0.00 -2.06 0.00 0.00 37.83 33.76 1buj s LYS 97 CO -0.03 0.36 0.41 -0.08 0.10 0.00 0.00 175.35 176.11 1buj s THR 98 N -2.27 0.03 0.00 3.79 -1.32 -0.78 -2.46 115.64 112.64 1buj s THR 98 Ca 0.29 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1buj s THR 98 Cb -0.06 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1buj s THR 98 CO 0.17 -0.15 0.59 0.35 -2.21 0.00 0.00 174.62 173.37 1buj n THR 99 N 1.57 0.27 -1.65 5.08 -2.24 -1.26 -1.35 114.28 114.71 1buj n THR 99 Ca -0.19 -0.58 -0.11 0.00 -2.27 0.00 0.00 64.05 60.91 1buj n THR 99 Cb 0.56 0.95 0.14 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.14 3.46 -2.80 3.42 5.68 -1.26 -4.67 116.55 120.25 1buj n ASP 100 Ca 0.00 -3.81 -0.13 0.00 -0.50 0.00 0.00 54.79 50.35 1buj n ASP 100 Cb 0.11 -0.56 0.07 0.00 -1.14 0.00 0.00 41.12 39.60 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 -0.99 -1.63 -3.77 2.11 -0.00 -1.26 -2.35 115.22 107.33 1buj n HIS 101 Ca 0.36 0.69 -0.20 0.00 -0.00 0.00 0.00 57.72 58.57 1buj n HIS 101 Cb 0.91 -4.26 -0.00 0.00 -0.00 0.00 0.00 29.99 26.63 1buj n HIS 101 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 1buj n TYR 102 N -3.29 -0.61 -0.11 1.57 4.11 -1.26 -4.82 117.16 112.75 1buj n TYR 102 Ca -0.21 0.07 -0.25 0.00 -0.00 0.00 0.00 57.90 57.52 1buj n TYR 102 Cb 0.62 -1.25 -0.11 0.00 -0.00 0.00 0.00 39.34 38.60 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1buj n ALA 103 N -2.79 1.09 -2.39 -3.48 0.00 -0.99 -4.99 120.51 106.96 1buj n ALA 103 Ca -0.07 -0.88 -0.19 0.00 0.00 0.00 0.00 53.44 52.29 1buj n ALA 103 Cb 0.27 -0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.48 1.11 0.09 0.00 -4.23 -1.26 -5.02 115.64 103.85 1buj s THR 104 Ca -0.34 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.13 1buj s THR 104 Cb 0.11 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1buj s THR 104 CO 0.57 -0.15 0.02 -0.36 -0.54 0.00 0.00 174.62 174.15 1buj s PHE 105 N -3.36 0.66 -0.02 3.99 0.08 -1.26 -4.65 117.98 113.41 1buj s PHE 105 Ca 0.33 -1.13 -0.02 0.00 0.12 0.00 0.00 56.93 56.24 1buj s PHE 105 Cb 0.07 -0.42 0.01 0.00 -0.57 0.00 0.00 43.02 42.11 1buj s PHE 105 CO 0.12 -0.45 0.05 0.99 -0.10 0.00 0.00 175.22 175.84 1buj s THR 106 N -3.98 -0.00 0.26 0.64 2.01 -1.03 -4.95 115.64 108.58 1buj s THR 106 Ca 0.15 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 1buj s THR 106 Cb 0.08 -0.09 -0.09 0.00 0.01 0.00 0.00 72.50 72.41 1buj s THR 106 CO -0.05 0.01 1.29 -0.60 -0.69 0.00 0.00 174.62 174.58 1buj s ARG 107 N 0.11 4.41 -0.21 4.92 3.52 -1.26 -1.15 118.95 129.28 1buj s ARG 107 Ca -0.01 2.09 -0.04 0.00 -0.13 0.00 0.00 55.73 57.64 1buj s ARG 107 Cb -0.01 -3.15 -0.20 0.00 -1.56 0.00 0.00 34.95 30.03 1buj s ARG 107 CO -0.00 -0.18 -0.02 0.44 -0.81 0.00 0.00 175.30 174.73 1buj n ILE 108 N 1.82 1.60 1.67 4.11 -6.64 -1.05 -4.92 119.36 115.95 1buj n ILE 108 Ca 0.03 -0.55 0.15 0.00 -1.77 0.00 0.00 62.75 60.61 1buj n ILE 108 Cb 0.43 -1.61 0.67 0.00 -1.44 0.00 0.00 39.64 37.68 1buj n ILE 108 CO 0.00 0.00 0.00 -2.11 -1.77 0.00 0.00 176.55 172.67