#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 0.02 -0.38 0.00 0.11 -1.26 -5.12 120.40 113.77 1buj s VAL 2 Ca 0.00 -0.19 -0.21 0.00 -2.93 0.00 0.00 61.98 58.65 1buj s VAL 2 Cb 0.00 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1buj s VAL 2 CO 0.00 -0.10 0.69 -0.63 -3.33 0.00 0.00 175.10 171.73 1buj s ILE 3 N -0.78 4.81 -0.23 7.04 1.01 -1.26 -4.82 121.20 126.98 1buj s ILE 3 Ca -0.08 0.56 0.10 0.00 0.00 0.00 0.00 60.65 61.22 1buj s ILE 3 Cb -0.03 -4.16 0.29 0.00 0.01 0.00 0.00 42.46 38.57 1buj s ILE 3 CO 0.05 -0.43 1.36 -0.46 0.00 0.00 0.00 174.94 175.46 1buj n ASN 4 N 6.25 -1.20 -4.62 3.58 6.94 -1.26 -4.84 115.26 120.10 1buj n ASN 4 Ca 0.00 -2.14 -0.26 0.00 -0.02 0.00 0.00 54.58 52.16 1buj n ASN 4 Cb 0.48 0.52 -0.10 0.00 -2.36 0.00 0.00 39.78 38.33 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 -0.03 2.25 0.04 5.53 -4.23 -1.26 -2.71 115.64 115.22 1buj s THR 5 Ca 0.07 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.32 1buj s THR 5 Cb 0.31 -2.87 -0.17 0.00 1.34 0.00 0.00 72.50 71.11 1buj s THR 5 CO -0.09 -0.09 1.40 -0.26 -0.54 0.00 0.00 174.62 175.04 1buj h PHE 6 N 1.78 -0.51 0.00 3.99 0.04 -1.98 0.86 116.94 121.12 1buj h PHE 6 Ca -0.43 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.27 1buj h PHE 6 Cb 1.25 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.56 1buj h PHE 6 CO 0.72 -0.21 -0.30 -0.44 -0.60 0.00 0.00 178.31 177.48 1buj h ASP 7 N -0.75 0.00 0.01 2.17 3.32 -1.98 -2.27 116.42 116.92 1buj h ASP 7 Ca -0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1buj h ASP 7 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1buj h ASP 7 CO 0.09 0.30 -0.00 1.23 -1.72 0.00 0.00 179.24 179.13 1buj h GLY 8 N 2.12 -0.01 1.07 2.75 0.00 -1.90 -1.50 103.07 105.59 1buj h GLY 8 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1buj h GLY 8 CO 0.04 -0.00 0.49 -2.08 0.00 0.00 0.00 176.54 174.98 1buj h VAL 9 N -0.97 1.25 -0.69 4.60 2.07 -0.91 -0.74 116.25 120.86 1buj h VAL 9 Ca -0.00 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1buj h VAL 9 Cb 0.77 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1buj h VAL 9 CO 0.00 0.28 0.40 0.00 0.02 0.00 0.00 177.57 178.28 1buj h ALA 10 N 1.30 0.93 -0.61 1.67 0.00 -1.44 -0.20 119.26 120.91 1buj h ALA 10 Ca 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1buj h ALA 10 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1buj h ALA 10 CO -0.05 0.11 0.12 -0.44 0.00 0.00 0.00 179.25 178.99 1buj h ASP 11 N 0.75 0.94 0.05 0.00 5.19 -0.58 -2.75 116.42 120.03 1buj h ASP 11 Ca 0.30 -0.25 -0.10 0.00 -0.62 0.00 0.00 57.03 56.37 1buj h ASP 11 Cb 0.15 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1buj h ASP 11 CO -0.16 0.95 -0.31 0.22 -3.12 0.00 0.00 179.24 176.82 1buj h TYR 12 N 0.90 0.44 0.74 4.55 5.03 -0.09 0.02 116.97 128.56 1buj h TYR 12 Ca 0.19 -0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 1buj h TYR 12 Cb 0.39 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.56 1buj h TYR 12 CO 0.03 0.66 -0.45 -0.07 -1.32 0.00 0.00 178.16 177.01 1buj h LEU 13 N 0.34 -1.13 -0.88 2.82 3.38 -0.96 -0.91 115.31 117.96 1buj h LEU 13 Ca 0.04 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1buj h LEU 13 Cb 0.71 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 1buj h LEU 13 CO 0.05 -0.70 0.51 0.40 0.09 0.00 0.00 178.44 178.80 1buj h ILE 14 N -1.12 0.89 0.14 1.22 1.08 -1.12 0.27 117.51 118.88 1buj h ILE 14 Ca -0.10 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1buj h ILE 14 Cb 0.90 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1buj h ILE 14 CO 0.10 0.15 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.55 1buj h ARG 15 N 0.83 -0.19 -0.00 2.37 2.43 -0.91 -3.37 114.38 115.55 1buj h ARG 15 Ca 0.43 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1buj h ARG 15 Cb 0.43 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1buj h ARG 15 CO -0.26 -0.12 -0.48 0.66 -1.51 0.00 0.00 179.97 178.26 1buj n TYR 16 N -3.38 0.00 -3.01 2.20 4.01 -0.36 -4.93 117.16 111.70 1buj n TYR 16 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.57 1buj n TYR 16 Cb 0.08 -0.18 0.04 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.20 -4.19 -3.83 -0.72 4.81 0.95 -5.00 118.16 108.99 1buj n LYS 17 Ca 0.07 0.52 -0.05 0.00 -0.87 0.00 0.00 58.31 57.99 1buj n LYS 17 Cb 0.34 -4.60 0.01 0.00 0.02 0.00 0.00 35.03 30.80 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 -5.60 1.52 0.81 1.64 1.70 -1.23 -5.05 118.95 112.75 1buj s ARG 18 Ca 0.30 -0.94 -0.11 0.00 -0.47 0.00 0.00 55.73 54.51 1buj s ARG 18 Cb -0.13 0.46 0.08 0.00 -0.57 0.00 0.00 34.95 34.79 1buj s ARG 18 CO 0.37 -0.71 1.09 -0.51 -1.08 0.00 0.00 175.30 174.46 1buj s LEU 19 N -3.15 2.58 0.84 -1.89 1.43 -1.26 -3.34 118.68 113.88 1buj s LEU 19 Ca 0.17 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 1buj s LEU 19 Cb -0.03 -3.99 0.10 0.00 0.03 0.00 0.00 46.19 42.30 1buj s LEU 19 CO 0.06 -2.10 1.11 -2.16 0.23 0.00 0.00 176.35 173.49 1buj s PRO 20 N -5.08 1.72 0.00 1.29 0.04 -1.26 -4.96 135.00 126.74 1buj s PRO 20 Ca 0.61 0.50 0.21 0.00 0.04 0.00 0.00 61.00 62.37 1buj s PRO 20 Cb -0.15 -1.89 0.87 0.00 0.04 0.00 0.00 34.50 33.37 1buj s PRO 20 CO 0.55 -1.85 1.61 -3.47 0.04 0.00 0.00 177.00 173.89 1buj n ASP 21 N -3.56 1.26 -0.02 6.66 2.03 -1.26 -2.92 116.55 118.74 1buj n ASP 21 Ca 0.07 -1.61 0.15 0.00 0.52 0.00 0.00 54.79 53.91 1buj n ASP 21 Cb 0.57 -0.07 0.75 0.00 -0.72 0.00 0.00 41.12 41.65 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 0.05 0.10 -4.24 1.67 6.94 -1.26 -4.59 115.26 113.93 1buj n ASN 22 Ca 0.16 -0.32 -0.34 0.00 -0.02 0.00 0.00 54.58 54.06 1buj n ASN 22 Cb 0.27 -0.21 -0.15 0.00 -2.36 0.00 0.00 39.78 37.33 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 -2.50 2.90 0.38 -2.53 2.02 -1.15 -0.93 117.35 115.54 1buj s TYR 23 Ca 0.30 -1.20 0.08 0.00 -0.37 0.00 0.00 57.07 55.88 1buj s TYR 23 Cb 0.20 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1buj s TYR 23 CO 0.46 -0.64 0.39 0.96 -1.57 0.00 0.00 175.55 175.14 1buj s ILE 24 N 1.41 3.12 0.65 2.71 -4.36 -0.54 -4.72 121.20 119.47 1buj s ILE 24 Ca 0.05 -1.27 -0.08 0.00 -0.26 0.00 0.00 60.65 59.10 1buj s ILE 24 Cb -0.14 -3.10 0.02 0.00 1.25 0.00 0.00 42.46 40.50 1buj s ILE 24 CO -0.07 -0.07 0.98 0.42 0.24 0.00 0.00 174.94 176.45 1buj s THR 25 N -2.37 3.29 0.25 8.37 -4.23 -1.23 -0.93 115.64 118.77 1buj s THR 25 Ca 0.46 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 1buj s THR 25 Cb -0.06 -3.36 0.22 0.00 1.34 0.00 0.00 72.50 70.65 1buj s THR 25 CO 0.28 -0.40 1.80 0.11 -0.54 0.00 0.00 174.62 175.87 1buj h LYS 26 N -0.42 0.73 -0.76 3.99 1.57 -1.94 -1.57 116.57 118.17 1buj h LYS 26 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1buj h LYS 26 Cb 1.27 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 1buj h LYS 26 CO 0.62 0.49 0.49 0.77 -0.57 0.00 0.00 179.45 181.24 1buj h SER 27 N 0.76 0.88 -0.03 0.86 0.02 -1.99 -0.06 113.55 114.00 1buj h SER 27 Ca 0.41 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.20 1buj h SER 27 Cb 0.42 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.74 1buj h SER 27 CO -0.27 0.65 -0.47 1.56 -1.14 0.00 0.00 176.83 177.16 1buj h GLN 28 N 1.04 0.37 -0.51 3.45 1.08 -1.69 -0.87 115.11 117.97 1buj h GLN 28 Ca 0.28 -0.36 0.10 0.00 -1.45 0.00 0.00 58.65 57.22 1buj h GLN 28 Cb -0.10 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.34 1buj h GLN 28 CO -0.06 1.03 -0.02 0.00 -0.95 0.00 0.00 178.83 178.83 1buj h ALA 29 N 0.35 0.46 -0.64 3.87 0.00 -1.04 -1.42 119.26 120.85 1buj h ALA 29 Ca -0.05 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1buj h ALA 29 Cb 1.17 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1buj h ALA 29 CO 0.09 -0.40 0.18 0.77 0.00 0.00 0.00 179.25 179.90 1buj h SER 30 N 0.09 0.95 -0.78 0.00 0.02 -0.86 -0.19 113.55 112.77 1buj h SER 30 Ca 0.26 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1buj h SER 30 Cb 0.40 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1buj h SER 30 CO -0.45 0.92 0.40 0.00 -1.14 0.00 0.00 176.83 176.56 1buj h ALA 31 N 1.06 1.21 0.00 3.77 0.00 -0.64 0.26 119.26 124.93 1buj h ALA 31 Ca 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1buj h ALA 31 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1buj h ALA 31 CO -0.00 0.62 -0.21 -0.07 0.00 0.00 0.00 179.25 179.58 1buj h LEU 32 N 1.12 0.00 0.00 0.00 3.38 -0.74 -3.46 115.31 115.61 1buj h LEU 32 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1buj h LEU 32 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1buj h LEU 32 CO -0.04 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1buj n GLY 33 N -0.13 1.39 3.74 0.83 0.00 0.08 -4.96 105.19 106.14 1buj n GLY 33 Ca -0.01 0.00 -0.40 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 3.70 -0.11 1.61 -0.00 -0.17 -4.94 118.94 117.02 1buj s TRP 34 Ca 0.00 1.42 0.14 0.00 -0.00 0.00 0.00 56.10 57.66 1buj s TRP 34 Cb 0.00 -2.81 -0.21 0.00 -0.00 0.00 0.00 33.47 30.45 1buj s TRP 34 CO 0.00 0.23 0.15 0.28 -0.00 0.00 0.00 176.95 177.61 1buj n VAL 35 N 3.03 0.72 0.00 5.86 0.31 -1.26 -4.38 118.33 122.61 1buj n VAL 35 Ca -0.02 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1buj n VAL 35 Cb 0.50 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 -2.41 0.00 0.07 3.52 0.00 -1.23 -4.47 120.51 115.99 1buj n ALA 36 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 1buj n ALA 36 Cb 0.82 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.20 1buj n ALA 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1buj h SER 37 N 0.00 -0.12 0.00 0.00 0.87 -2.02 -3.40 113.55 108.88 1buj h SER 37 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1buj h SER 37 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1buj h SER 37 CO 0.00 -0.07 0.00 0.29 -0.53 0.00 0.00 176.83 176.52 1buj n LYS 38 N -5.15 0.00 -2.75 2.24 4.76 -1.26 -5.01 118.16 111.00 1buj n LYS 38 Ca -0.07 0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.05 1buj n LYS 38 Cb 0.08 -0.12 -0.06 0.00 -1.84 0.00 0.00 35.03 33.09 1buj n LYS 38 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1buj s GLY 39 N -1.18 2.29 0.72 0.72 0.00 -1.26 -5.03 107.32 103.58 1buj s GLY 39 Ca 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.95 1buj s GLY 39 CO 0.00 0.57 1.03 0.54 0.00 0.00 0.00 173.10 175.24 1buj s ASN 40 N -2.43 4.72 -0.05 1.64 4.22 -1.26 -3.58 114.94 118.20 1buj s ASN 40 Ca 0.60 0.42 -0.12 0.00 -2.14 0.00 0.00 52.86 51.62 1buj s ASN 40 Cb -0.09 -1.03 -0.07 0.00 1.28 0.00 0.00 41.25 41.33 1buj s ASN 40 CO 0.18 -1.66 0.51 0.25 -2.04 0.00 0.00 177.10 174.34 1buj h LEU 41 N -0.65 -0.32 -2.13 3.54 5.85 -1.84 -3.26 115.31 116.50 1buj h LEU 41 Ca -0.44 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1buj h LEU 41 Cb 1.31 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1buj h LEU 41 CO 0.59 0.14 0.30 0.00 -0.34 0.00 0.00 178.44 179.13 1buj h ALA 42 N -1.02 1.88 0.13 1.25 0.00 -1.70 0.82 119.26 120.62 1buj h ALA 42 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1buj h ALA 42 Cb 0.34 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1buj h ALA 42 CO 0.06 -0.43 -0.53 1.49 0.00 0.00 0.00 179.25 179.85 1buj h GLU 43 N 0.00 -0.73 0.00 0.00 4.81 -1.94 -2.69 114.58 114.03 1buj h GLU 43 Ca 0.12 0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.25 1buj h GLU 43 Cb 0.72 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1buj h GLU 43 CO -0.00 -0.48 -2.14 1.55 -0.73 0.00 0.00 179.01 177.20 1buj n VAL 44 N -5.45 0.58 -3.69 0.32 3.14 0.08 -4.50 118.33 108.81 1buj n VAL 44 Ca -0.08 -0.65 -0.29 0.00 -2.96 0.00 0.00 64.34 60.36 1buj n VAL 44 Cb 0.41 -0.20 -0.12 0.00 -1.06 0.00 0.00 33.84 32.87 1buj n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1buj s ALA 45 N -3.10 2.34 0.54 1.55 0.00 -0.02 -4.89 121.76 118.19 1buj s ALA 45 Ca -0.09 -2.82 -0.18 0.00 0.00 0.00 0.00 51.96 48.87 1buj s ALA 45 Cb 0.11 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 21.28 1buj s ALA 45 CO 0.88 -2.05 1.04 -1.25 0.00 0.00 0.00 175.76 174.38 1buj s PRO 46 N -0.08 3.58 0.00 0.00 0.04 -1.02 -3.42 135.00 134.10 1buj s PRO 46 Ca 0.22 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1buj s PRO 46 Cb -0.14 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1buj s PRO 46 CO -0.07 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1buj n GLY 47 N -0.72 0.32 3.01 0.56 0.00 -1.26 -4.94 105.19 102.15 1buj n GLY 47 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.78 1.11 0.36 1.61 3.01 -1.22 -4.74 119.74 119.09 1buj s LYS 48 Ca 0.00 -0.33 0.01 0.00 -1.01 0.00 0.00 55.97 54.65 1buj s LYS 48 Cb 0.00 -1.01 0.01 0.00 -1.01 0.00 0.00 37.83 35.82 1buj s LYS 48 CO 0.00 0.10 0.12 0.43 0.51 0.00 0.00 175.35 176.51 1buj n SER 49 N 3.41 2.62 -4.79 2.83 7.64 -0.11 -4.66 113.62 120.57 1buj n SER 49 Ca -0.19 -2.42 -0.39 0.00 1.01 0.00 0.00 58.87 56.88 1buj n SER 49 Cb 0.53 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.80 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 -2.07 4.48 -0.07 0.44 -1.09 -1.26 -1.46 121.20 120.16 1buj s ILE 50 Ca 0.09 1.54 -0.32 0.00 -2.23 0.00 0.00 60.65 59.73 1buj s ILE 50 Cb -0.01 -4.05 0.13 0.00 -1.58 0.00 0.00 42.46 36.96 1buj s ILE 50 CO 0.06 0.49 1.34 -0.83 -1.23 0.00 0.00 174.94 174.77 1buj s GLY 51 N -1.21 -0.43 0.00 6.18 0.00 -0.11 -1.78 107.32 109.97 1buj s GLY 51 Ca 0.35 0.93 0.00 0.00 0.00 0.00 0.00 44.72 46.00 1buj s GLY 51 CO 0.24 0.20 0.00 0.61 0.00 0.00 0.00 173.10 174.15 1buj n GLY 52 N -0.44 0.69 3.96 0.20 0.00 -0.15 -3.58 105.19 105.86 1buj n GLY 52 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.21 6.18 0.22 1.61 1.11 -1.19 -4.86 116.67 117.52 1buj s ASP 53 Ca 0.00 0.20 -0.29 0.00 0.18 0.00 0.00 52.55 52.64 1buj s ASP 53 Cb 0.00 -1.77 -0.09 0.00 1.07 0.00 0.00 42.92 42.14 1buj s ASP 53 CO 0.00 -0.31 0.91 -0.69 1.18 0.00 0.00 175.17 176.26 1buj s VAL 54 N -2.22 4.16 -0.05 -1.27 1.01 -1.26 -0.92 120.40 119.85 1buj s VAL 54 Ca 0.40 2.00 0.10 0.00 0.00 0.00 0.00 61.98 64.49 1buj s VAL 54 Cb -0.09 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.85 1buj s VAL 54 CO 0.33 0.49 0.15 0.33 0.00 0.00 0.00 175.10 176.41 1buj n PHE 55 N 1.60 0.00 -0.34 5.22 -0.00 -1.10 -4.82 117.46 118.02 1buj n PHE 55 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 1buj n PHE 55 Cb 0.47 -0.35 0.00 0.00 -0.00 0.00 0.00 39.48 39.61 1buj n PHE 55 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1buj n SER 56 N -2.07 -2.91 -3.93 -2.13 7.64 -1.23 -5.06 113.62 103.93 1buj n SER 56 Ca -0.08 0.26 -0.10 0.00 1.01 0.00 0.00 58.87 59.96 1buj n SER 56 Cb 0.50 -0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 1buj n SER 56 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1buj s ASN 57 N -1.86 0.14 0.00 6.43 2.47 -1.26 -4.94 114.94 115.92 1buj s ASN 57 Ca 0.00 -0.38 0.11 0.00 0.42 0.00 0.00 52.86 53.01 1buj s ASN 57 Cb 0.00 0.16 0.19 0.00 -1.45 0.00 0.00 41.25 40.15 1buj s ASN 57 CO 0.00 -0.36 1.02 -2.11 -3.72 0.00 0.00 177.10 171.93 1buj n ARG 58 N 1.41 0.00 -2.05 0.43 1.85 -1.26 -4.69 116.66 112.34 1buj n ARG 58 Ca -0.23 -1.33 0.00 0.00 -1.00 0.00 0.00 57.85 55.29 1buj n ARG 58 Cb 0.56 -0.06 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 1buj n ARG 58 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1buj n GLU 59 N 0.22 -4.51 0.00 2.89 0.00 -1.26 -4.95 120.64 113.03 1buj n GLU 59 Ca -0.02 3.33 0.00 0.00 0.00 0.00 0.00 57.16 60.47 1buj n GLU 59 Cb 0.88 -3.95 0.00 0.00 0.00 0.00 0.00 31.44 28.36 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1buj n GLY 60 N 1.57 0.70 0.83 8.31 0.00 -1.26 -4.98 105.19 110.37 1buj n GLY 60 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.12 -4.20 1.61 5.12 -1.26 -5.08 116.66 112.96 1buj n ARG 61 Ca 0.00 0.05 -0.26 0.00 -1.93 0.00 0.00 57.85 55.71 1buj n ARG 61 Cb 0.00 -0.70 -0.07 0.00 -1.16 0.00 0.00 32.46 30.52 1buj n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1buj s LEU 62 N -6.58 3.36 0.00 0.55 1.43 -1.26 -5.01 118.68 111.17 1buj s LEU 62 Ca -0.07 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 1buj s LEU 62 Cb 0.02 -1.98 0.15 0.00 0.03 0.00 0.00 46.19 44.41 1buj s LEU 62 CO 0.10 0.07 0.71 -0.81 0.23 0.00 0.00 176.35 176.65 1buj n PRO 63 N -0.28 -1.50 -2.47 1.29 -0.04 -1.26 -4.10 135.00 126.65 1buj n PRO 63 Ca -0.09 -1.11 -0.04 0.00 -0.04 0.00 0.00 63.50 62.22 1buj n PRO 63 Cb 0.56 -0.88 -0.03 0.00 -0.04 0.00 0.00 33.50 33.11 1buj n PRO 63 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1buj n SER 64 N -3.79 -1.87 -2.63 3.54 7.64 -1.26 -4.81 113.62 110.44 1buj n SER 64 Ca 0.09 1.18 -0.14 0.00 1.01 0.00 0.00 58.87 61.01 1buj n SER 64 Cb 0.34 -4.71 -0.06 0.00 -1.01 0.00 0.00 64.21 58.77 1buj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1buj n ALA 65 N 1.30 0.51 -3.60 -0.43 0.00 -1.26 -4.65 120.51 112.37 1buj n ALA 65 Ca -0.30 -1.40 -0.28 0.00 0.00 0.00 0.00 53.44 51.46 1buj n ALA 65 Cb 0.46 1.12 0.05 0.00 0.00 0.00 0.00 19.45 21.08 1buj n ALA 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1buj n SER 66 N -2.04 -5.44 0.00 0.00 3.41 -1.26 -3.65 113.62 104.65 1buj n SER 66 Ca 0.05 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1buj n SER 66 Cb 0.43 -3.75 0.00 0.00 -0.26 0.00 0.00 64.21 60.63 1buj n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1buj n GLY 67 N -1.59 1.45 3.43 5.00 0.00 -1.26 -5.10 105.19 107.12 1buj n GLY 67 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 3.55 0.23 1.61 6.06 -1.24 -5.11 118.95 124.06 1buj s ARG 68 Ca 0.00 -0.57 0.04 0.00 -2.50 0.00 0.00 55.73 52.71 1buj s ARG 68 Cb 0.00 -2.94 -0.03 0.00 0.06 0.00 0.00 34.95 32.04 1buj s ARG 68 CO 0.00 0.08 0.36 0.99 -2.50 0.00 0.00 175.30 174.24 1buj s THR 69 N 0.77 5.26 -0.05 4.11 2.01 -1.26 -4.48 115.64 122.00 1buj s THR 69 Ca -0.02 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1buj s THR 69 Cb -0.15 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1buj s THR 69 CO 0.02 -0.31 -0.14 0.26 -0.69 0.00 0.00 174.62 173.76 1buj s TRP 70 N -1.97 1.49 -0.02 4.92 0.52 -1.26 -2.04 118.94 120.58 1buj s TRP 70 Ca 0.34 -0.47 0.07 0.00 0.02 0.00 0.00 56.10 56.06 1buj s TRP 70 Cb -0.09 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.16 1buj s TRP 70 CO 0.29 -0.20 -0.23 1.03 0.02 0.00 0.00 176.95 177.86 1buj s ARG 71 N 0.31 1.88 0.32 4.98 1.81 -0.29 -2.71 118.95 125.26 1buj s ARG 71 Ca -0.08 -0.84 0.09 0.00 -1.72 0.00 0.00 55.73 53.18 1buj s ARG 71 Cb -0.13 -1.83 -0.05 0.00 -0.45 0.00 0.00 34.95 32.50 1buj s ARG 71 CO 0.03 0.50 0.07 -1.83 -0.68 0.00 0.00 175.30 173.39 1buj s GLU 72 N -0.57 2.28 -0.03 3.54 4.04 -0.10 -1.09 118.70 126.78 1buj s GLU 72 Ca 0.09 -1.56 -0.24 0.00 0.04 0.00 0.00 54.97 53.31 1buj s GLU 72 Cb -0.09 -2.11 0.05 0.00 0.02 0.00 0.00 34.13 31.99 1buj s GLU 72 CO -0.01 0.19 0.51 0.00 -1.84 0.00 0.00 175.26 174.11 1buj s ALA 73 N -2.42 -1.32 0.41 -0.84 0.00 0.03 -0.98 121.76 116.65 1buj s ALA 73 Ca 0.35 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.94 1buj s ALA 73 Cb -0.03 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 1buj s ALA 73 CO 0.21 -0.32 1.02 -0.51 0.00 0.00 0.00 175.76 176.16 1buj s ASP 74 N -1.26 6.79 -0.09 0.00 1.01 -0.74 -1.18 116.67 121.20 1buj s ASP 74 Ca -0.12 1.95 0.03 0.00 0.71 0.00 0.00 52.55 55.12 1buj s ASP 74 Cb -0.02 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1buj s ASP 74 CO 0.07 -0.47 -0.17 -0.63 0.21 0.00 0.00 175.17 174.18 1buj s ILE 75 N -1.77 1.55 -1.02 0.77 -1.09 -0.58 -4.82 121.20 114.25 1buj s ILE 75 Ca 0.59 -0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 58.16 1buj s ILE 75 Cb -0.19 -1.38 -0.01 0.00 -1.58 0.00 0.00 42.46 39.30 1buj s ILE 75 CO 0.24 0.45 0.76 0.59 -1.23 0.00 0.00 174.94 175.75 1buj n ASN 76 N 3.80 -5.74 -3.14 3.58 3.02 -1.10 -4.51 115.26 111.17 1buj n ASN 76 Ca -0.21 -0.84 0.05 0.00 -0.03 0.00 0.00 54.58 53.55 1buj n ASN 76 Cb 0.52 -3.51 -0.00 0.00 -0.61 0.00 0.00 39.78 36.18 1buj n ASN 76 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1buj s TYR 77 N -3.31 -1.11 -0.12 3.10 2.02 -1.26 -4.88 117.35 111.80 1buj s TYR 77 Ca 0.33 0.63 -0.10 0.00 -0.37 0.00 0.00 57.07 57.55 1buj s TYR 77 Cb -0.11 0.19 -0.05 0.00 -0.40 0.00 0.00 41.96 41.58 1buj s TYR 77 CO 0.84 -0.65 -0.22 0.28 -1.57 0.00 0.00 175.55 174.24 1buj n VAL 78 N 5.20 1.18 -4.15 0.71 0.31 -1.26 -4.66 118.33 115.66 1buj n VAL 78 Ca 0.07 0.03 -0.23 0.00 -0.01 0.00 0.00 64.34 64.20 1buj n VAL 78 Cb 0.56 -1.91 -0.07 0.00 -0.91 0.00 0.00 33.84 31.52 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 -6.21 4.58 1.05 4.52 1.04 -1.26 -4.04 113.70 113.38 1buj s SER 79 Ca -0.20 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1buj s SER 79 Cb 0.05 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.48 1buj s SER 79 CO 0.28 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1buj n GLY 80 N -1.11 2.00 3.89 7.32 0.00 -1.26 -4.87 105.19 111.15 1buj n GLY 80 Ca -0.03 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 2.23 0.65 1.61 0.08 -1.26 -4.48 117.98 116.81 1buj s PHE 81 Ca 0.00 0.57 -0.12 0.00 0.12 0.00 0.00 56.93 57.50 1buj s PHE 81 Cb 0.00 -3.74 -0.01 0.00 -0.57 0.00 0.00 43.02 38.69 1buj s PHE 81 CO 0.00 -2.30 1.05 1.03 -0.10 0.00 0.00 175.22 174.90 1buj s ARG 82 N -5.67 3.20 0.85 0.44 1.81 -1.26 -4.90 118.95 113.42 1buj s ARG 82 Ca 0.68 0.95 -0.11 0.00 -1.72 0.00 0.00 55.73 55.53 1buj s ARG 82 Cb -0.08 -2.02 0.10 0.00 -0.45 0.00 0.00 34.95 32.49 1buj s ARG 82 CO 0.51 -0.89 1.13 0.54 -0.68 0.00 0.00 175.30 175.91 1buj s ASN 83 N -3.67 3.63 0.00 0.23 2.20 -1.26 -4.92 114.94 111.15 1buj s ASN 83 Ca 0.58 2.05 0.00 0.00 -0.94 0.00 0.00 52.86 54.55 1buj s ASN 83 Cb -0.13 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.57 1buj s ASN 83 CO 0.50 -2.63 0.00 0.00 -2.94 0.00 0.00 177.10 172.04 1buj n ALA 84 N -3.86 0.60 -2.39 3.54 0.00 -1.26 -5.04 120.51 112.10 1buj n ALA 84 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1buj n ALA 84 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.31 6.88 0.17 0.00 1.11 -1.26 -3.23 116.67 118.03 1buj s ASP 85 Ca 0.00 1.66 -0.08 0.00 0.18 0.00 0.00 52.55 54.31 1buj s ASP 85 Cb 0.00 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.44 1buj s ASP 85 CO 0.00 -0.82 0.26 -0.13 1.18 0.00 0.00 175.17 175.66 1buj s ARG 86 N 3.65 1.16 -0.01 8.23 0.52 -0.16 -1.52 118.95 130.81 1buj s ARG 86 Ca 0.56 -1.23 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 1buj s ARG 86 Cb -0.22 0.36 -0.00 0.00 0.52 0.00 0.00 34.95 35.61 1buj s ARG 86 CO 0.17 -0.42 -0.05 -1.17 0.02 0.00 0.00 175.30 173.86 1buj s LEU 87 N -2.99 1.97 -0.06 2.53 0.20 -0.33 -1.30 118.68 118.70 1buj s LEU 87 Ca 0.19 -0.09 0.04 0.00 0.69 0.00 0.00 54.13 54.97 1buj s LEU 87 Cb 0.04 -0.25 0.00 0.00 -0.43 0.00 0.00 46.19 45.55 1buj s LEU 87 CO 0.01 0.05 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.25 1buj s VAL 88 N -0.06 1.55 0.06 1.68 1.01 -0.10 -0.79 120.40 123.75 1buj s VAL 88 Ca 0.01 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1buj s VAL 88 Cb -0.02 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1buj s VAL 88 CO -0.00 0.44 -0.14 -0.72 0.00 0.00 0.00 175.10 174.68 1buj s TYR 89 N 0.24 1.23 0.74 5.22 1.13 -0.25 -1.07 117.35 124.60 1buj s TYR 89 Ca -0.10 -0.41 -0.04 0.00 -1.41 0.00 0.00 57.07 55.11 1buj s TYR 89 Cb -0.14 -0.71 0.15 0.00 -1.10 0.00 0.00 41.96 40.16 1buj s TYR 89 CO 0.04 0.05 1.01 -1.13 -2.51 0.00 0.00 175.55 173.01 1buj n SER 90 N 1.54 1.02 0.06 -0.18 3.41 -0.46 -1.14 113.62 117.86 1buj n SER 90 Ca -0.20 -1.94 -0.05 0.00 -0.26 0.00 0.00 58.87 56.43 1buj n SER 90 Cb 0.54 -0.68 0.16 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.37 -0.56 4.04 0.02 -1.76 -2.37 113.55 112.49 1buj h SER 91 Ca -0.33 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1buj h SER 91 Cb 1.14 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1buj h SER 91 CO 0.32 0.79 0.00 -0.90 -1.14 0.00 0.00 176.83 175.90 1buj n ASP 92 N -3.98 4.90 -2.32 3.07 5.68 -1.26 -4.94 116.55 117.69 1buj n ASP 92 Ca -0.02 -2.66 -0.08 0.00 -0.50 0.00 0.00 54.79 51.53 1buj n ASP 92 Cb 0.53 -0.59 0.04 0.00 -1.14 0.00 0.00 41.12 39.96 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 0.73 -1.19 -3.63 2.11 7.02 -0.89 -5.02 117.44 116.57 1buj n TRP 93 Ca 0.25 0.46 -0.37 0.00 -1.02 0.00 0.00 57.50 56.82 1buj n TRP 93 Cb 0.97 -3.45 -0.10 0.00 -2.42 0.00 0.00 31.31 26.31 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 -4.22 4.08 -0.09 -0.99 1.43 -1.26 -4.86 118.68 112.77 1buj s LEU 94 Ca 0.12 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1buj s LEU 94 Cb -0.02 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1buj s LEU 94 CO 0.37 0.02 -0.14 -0.63 0.23 0.00 0.00 176.35 176.21 1buj s ILE 95 N 1.32 3.03 -0.03 -0.59 1.01 0.55 -1.36 121.20 125.14 1buj s ILE 95 Ca 0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1buj s ILE 95 Cb -0.14 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1buj s ILE 95 CO 0.07 0.56 0.08 -0.31 0.00 0.00 0.00 174.94 175.34 1buj s TYR 96 N -0.18 -0.06 0.24 3.97 1.51 -0.23 -2.76 117.35 119.85 1buj s TYR 96 Ca -0.00 0.15 0.06 0.00 -1.01 0.00 0.00 57.07 56.27 1buj s TYR 96 Cb -0.13 0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 1buj s TYR 96 CO 0.03 -0.08 0.27 -1.59 -1.11 0.00 0.00 175.55 173.08 1buj s LYS 97 N -0.19 3.17 -0.18 -0.62 -2.85 0.07 -0.93 119.74 118.21 1buj s LYS 97 Ca -0.03 -0.91 -0.14 0.00 -1.00 0.00 0.00 55.97 53.89 1buj s LYS 97 Cb -0.02 -2.72 0.05 0.00 -2.06 0.00 0.00 37.83 33.08 1buj s LYS 97 CO 0.00 0.42 0.47 -0.08 0.10 0.00 0.00 175.35 176.26 1buj s THR 98 N -2.05 -0.01 -0.84 3.79 -1.32 -0.42 -1.45 115.64 113.34 1buj s THR 98 Ca 0.33 0.03 0.22 0.00 -1.21 0.00 0.00 61.69 61.06 1buj s THR 98 Cb -0.08 -0.67 -0.16 0.00 -1.51 0.00 0.00 72.50 70.07 1buj s THR 98 CO 0.27 0.01 1.00 0.35 -2.21 0.00 0.00 174.62 174.04 1buj n THR 99 N 3.35 0.04 -0.17 5.08 -2.24 -1.26 -0.99 114.28 118.10 1buj n THR 99 Ca -0.17 -0.09 0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1buj n THR 99 Cb 0.56 0.59 0.09 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.66 2.52 -3.02 3.42 5.68 -1.26 -4.07 116.55 118.15 1buj n ASP 100 Ca 0.03 -2.09 -0.02 0.00 -0.50 0.00 0.00 54.79 52.22 1buj n ASP 100 Cb 0.37 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 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 -0.07 -3.09 -3.62 2.11 -0.00 -1.20 -3.84 115.22 105.50 1buj n HIS 101 Ca 0.07 1.19 -0.24 0.00 -0.00 0.00 0.00 57.72 58.74 1buj n HIS 101 Cb 0.37 -4.10 0.07 0.00 -0.00 0.00 0.00 29.99 26.33 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 -1.47 -2.81 -0.09 1.57 4.01 -1.26 -4.87 117.16 112.24 1buj n TYR 102 Ca 0.02 1.01 -0.11 0.00 -0.16 0.00 0.00 57.90 58.65 1buj n TYR 102 Cb 0.49 -4.94 -0.04 0.00 -0.31 0.00 0.00 39.34 34.54 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 -4.95 0.98 -2.37 -0.72 0.00 -1.25 -5.08 120.51 107.12 1buj n ALA 103 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 53.44 52.42 1buj n ALA 103 Cb 0.56 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.83 0.93 0.05 0.00 -4.23 -1.26 -5.06 115.64 103.23 1buj s THR 104 Ca -0.30 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.19 1buj s THR 104 Cb 0.05 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1buj s THR 104 CO 0.43 -0.09 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.03 1buj s PHE 105 N -3.49 0.52 -0.02 3.99 0.08 -1.26 -4.63 117.98 113.17 1buj s PHE 105 Ca 0.35 -1.06 0.00 0.00 0.12 0.00 0.00 56.93 56.34 1buj s PHE 105 Cb 0.08 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.16 1buj s PHE 105 CO 0.13 -0.39 -0.00 0.99 -0.10 0.00 0.00 175.22 175.85 1buj s THR 106 N -3.92 0.16 0.21 0.64 2.01 -0.53 -4.96 115.64 109.25 1buj s THR 106 Ca 0.07 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1buj s THR 106 Cb 0.08 -0.24 -0.09 0.00 0.01 0.00 0.00 72.50 72.27 1buj s THR 106 CO -0.10 0.12 1.21 -0.60 -0.69 0.00 0.00 174.62 174.57 1buj s ARG 107 N 0.81 4.48 -0.05 4.92 3.00 -1.26 -0.75 118.95 130.10 1buj s ARG 107 Ca -0.08 1.93 0.01 0.00 -1.00 0.00 0.00 55.73 56.59 1buj s ARG 107 Cb -0.11 -3.21 -0.04 0.00 0.00 0.00 0.00 34.95 31.59 1buj s ARG 107 CO -0.01 -0.08 -0.04 0.44 0.00 0.00 0.00 175.30 175.61 1buj n ILE 108 N 2.19 0.30 -1.00 4.11 -6.64 -1.11 -4.92 119.36 112.28 1buj n ILE 108 Ca 0.03 -0.13 0.00 0.00 -1.77 0.00 0.00 62.75 60.89 1buj n ILE 108 Cb 0.44 -0.72 0.00 0.00 -1.44 0.00 0.00 39.64 37.92 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64